0 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.1 CCOC1=CN=C(Br)N=C1 B11613 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.1 CCOC1=CN=C(Cl)N=C1 C1802 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.1 CCOC1=CN=C(N)N=C1 E43348 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.1 CCOC1=NC=C(Br)C=N1 B2619 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.1 CCOC1=NC=C(N)C=N1 E43346 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.1 CCOC1=NC=C(N)N=C1 E9737 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.1 CCOC1=NN=C(Cl)C=C1 C43068 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.1 CCOC1=NN=C(N)C=C1 E43349 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [0,0,0,0,0,0|1,1,0]=2 27 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.1 ClC1=CC=C(C#CI)C=C1 C1891 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.1 FC1=CC=C(C#CI)C=C1 F1901 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.1 ON=CC1=CC=C(O)C=C1 H45817 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.1 O\N=C\C1=CC=C(F)C=C1 F64667 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 C#CC1=CC=C(Br)C=C1 B47528 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [1,0,0,0,0,0|1,0,2]=4 69 B9R1.1 C#CC1=CC=C(Cl)C=C1 C4938 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.1 C#CC1=CC=C(F)C=C1 F2891 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.1 C#CC1=CC=C(N)C=C1 E37919 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [1,0,0,0,0,0|0,0,2]=3 74 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.1 CCC1=CN=C(Cl)N=C1 E11897 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 CCC1=CN=C(N)N=C1 E28664 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.1 COC1=CC=C(S)C=C1 M46276 [1,0,0,0,0,0|0,1,0]=2 109 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 COC1=CN=C(Br)N=C1 B10519 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 COC1=CN=C(Cl)N=C1 C10446 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 COC1=CN=C(F)C=C1 F42925 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.1 COC1=CN=C(I)C=C1 I5931 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.1 COC1=CN=C(N)C=C1 A10497 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.1 COC1=CN=C(N)N=C1 A10520 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 COC1=NC=C(Br)C=N1 B2218 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 COC1=NC=C(C)C=C1 M67554 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 COC1=NC=C(Cl)C=N1 C40931 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 COC1=NC=C(F)C=C1 F24011 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 COC1=NC=C(I)C=C1 K42935 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.1 COC1=NC=C(I)C=N1 K40945 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 COC1=NC=C(N)C=C1 A12692 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 COC1=NC=C(N)C=N1 M24312 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 COC1=NC=C(N)N=C1 M9733 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 COC1=NC=C(O)C=C1 H43140 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.1 COC1=NN=C(Br)C=C1 B36769 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 COC1=NN=C(C)C=C1 M43203 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 COC1=NN=C(Cl)C=C1 C12386 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 COC1=NN=C(I)C=C1 K40944 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 COC1=NN=C(N)C=C1 A12790 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 COC1=NN=C(N)C=C1 M62955 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [1,0,0,0,0,0|1,1,0]=3 139 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [1,0,0,0,0,0|0,1,0]=2 140 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [1,0,0,0,0,0|1,1,0]=3 141 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [1,0,0,0,0,0|2,1,0]=4 142 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [1,0,0,0,0,0|2,1,0]=4 143 B9R1.1 CSC1=NC=C(O)C=N1 M41048 [1,0,0,0,0,0|2,1,0]=4 144 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 N#CC1=CC=C(Br)C=C1 B67636 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.1 N#CC1=CC=C(Cl)C=C1 C37848 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.1 N#CC1=CC=C(F)C=C1 F64969 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.1 N#CC1=CC=C(I)C=C1 K44443 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.1 N#CC1=CC=C(N)C=C1 A64955 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [1,0,0,0,0,0|1,0,1]=3 163 B9R1.1 N#CC1=CC=C(S)C=C1 M64870 [1,0,0,0,0,0|1,1,1]=4 164 B9R1.1 N#CC1=CN=C(O)C=C1 H42087 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.1 N#CC1=NC=C(O)C=C1 C7985 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [1,0,0,0,0,0|1,0,0]=2 175 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 NCC1=CNC(=O)C=C1 A1719 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.1 NNC1=CC=C(Br)C=C1 B42962 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.1 NNC1=CC=C(Br)C=C1 B42980 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.1 NNC1=CC=C(Cl)C=C1 C61981 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.1 NNC1=CC=C(Cl)C=C1 C68982 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.1 NNC1=CC=C(F)C=C1 F25536 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.1 NNC1=CC=C(I)C=C1 K43029 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.8 BrCCC1=CC=NC=C1 B46088 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,0,0,0,0|1,0,1]=3 209 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,0,0,0,0|1,0,0]=2 213 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|1,0,1]=3 217 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|1,0,1]=3 219 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|1,0,1]=3 225 B9R1.8 OCCC1=CC=NC=C1 H46381 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|2,0,0]=3 233 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.1 CCCOC1=NN=C(Cl)C=C1 C46327 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.1 CCOCC1=CN=C(Cl)C=C1 C62281 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.1 COCOC1=CN=C(Cl)C=C1 C46141 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C49149 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.1 FC1=CC=C(OCCBr)C=C1 B49139 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 C15567 [0,1,0,0,0,0|1,0,1]=3 252 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.1 NCCNC1=NC=C(Br)C=C1 B43690 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.1 NCCOC1=CC=C(F)C=C1 F46812 [0,1,0,0,0,0|1,0,0]=2 256 B11R1.1 NCCOC1=CC=C(F)C=C1 F49512 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 H46009 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 H46008 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [0,1,0,0,0,0|0,0,1]=2 269 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [0,1,0,0,0,0|0,0,0]=1 273 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.20 CC(C)OC1=NN=C(I)C=C1 K46336 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [0,1,0,0,0,0|1,1,0]=3 279 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 B45142 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.20 FC(F)OC1=CN=C(Br)C=C1 B42292 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.20 FC(F)OC1=CN=C(Cl)C=C1 C42301 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.20 FC(F)OC1=NC=C(Br)C=C1 B42294 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.20 NC1=CC=C(OC(F)F)C=C1 D45886 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.20 NC1=CN=C(OC(F)F)C=C1 D42807 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 F44593 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.20 OC1=CC=C(OC(F)F)C=C1 D38768 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B16168 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 F39582 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 K52052 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 B49023 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 K63815 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 A69158 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 M39489 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 M64818 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M67923 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.22 COC(=O)C1=NC=C(O)C=C1 M7706 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 B49032 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A49045 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A49617 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 B48246 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 C69024 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.81 CCCC1=C(O)C=C(O)C=C1 P50281 [0,1,0,0,0,0|1,0,0]=2 335 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 B64110 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.81 CCOC1=C(C)N=C(N)C=C1 E46978 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 C38144 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.81 CCOC1=C(Cl)N=C(Cl)N=C1 D38241 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.81 CCOC1=C(F)C=C(N)C=N1 E46335 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.81 CCOC1=C(N)C=C(C)C=C1 E50337 [0,1,0,0,0,0|1,0,0]=2 341 B11R1.81 CCOC1=C(N)C=C(N)C=C1 E46634 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.81 CCOC1=NC=C(Br)C=C1N B46321 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D1582 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D29989 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.81 CNCC1=C(F)C=C(F)C=C1 D49253 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.81 COCC1=C(F)C=C(N)C=C1 F46814 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 B48298 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.81 NCCC1=C(F)C=C(F)C=C1 D69468 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 D49147 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.83 C#CC1=CC=C(CCC)C=C1 E54480 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.83 C#CC1=CC=C(OCC)C=C1 E52410 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.83 CCCC1=CC=C(C=O)C=C1 P52777 [0,1,0,0,0,0|1,0,1]=3 354 B11R1.83 CCNC1=CC=C(C#N)C=C1 E49708 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.83 CCOC1=CC=C(CN)C=C1 E50343 [0,1,0,0,0,0|1,0,0]=2 356 B11R1.83 CCOC1=NC=C(C=O)C=C1 E49274 [0,1,0,0,0,0|1,0,1]=3 357 B11R1.83 CNCC1=CC=C(C#N)C=C1 M49716 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.83 COC1=CC=C(C#CI)C=C1 M1885 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.83 COC1=CN=C(CCN)C=C1 M49539 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.83 N#CC1=CC=C(CCBr)C=C1 B36957 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.83 N#CC1=CC=C(CCO)C=C1 H51763 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 B49701 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 B50152 [0,1,0,0,0,0|1,0,0]=2 375 B11R1.192 CCOC1=CC(F)=C(Br)C=C1 B49136 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.192 CCOC1=NC(N)=C(F)C=N1 E43289 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.192 CCOC1=NC=C(F)C(Cl)=N1 C42800 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 D67460 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 B48302 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 D49146 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 C49151 [0,1,0,0,0,0|3,0,0]=4 384 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [0,0,0,1,0,0|2,0,0]=3 385 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [0,0,0,1,0,0|3,0,0]=4 386 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [0,0,0,1,0,0|3,0,0]=4 387 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 F62188 [0,0,0,1,0,0|3,0,0]=4 388 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [0,0,0,1,0,0|3,0,0]=4 389 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [0,0,0,1,0,0|2,0,0]=3 390 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [0,0,0,1,0,0|3,0,0]=4 391 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [0,0,0,1,0,0|3,0,0]=4 392 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [0,0,0,1,0,0|1,0,0]=2 393 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [0,0,0,1,0,0|2,0,0]=3 394 B11R2.36 BrC1=CC2=C(C=C1)CCN2 B48873 [0,0,0,1,0,0|3,0,0]=4 395 B11R2.36 BrC1=CC2=C(C=C1)CCN2 B48878 [0,0,0,1,0,0|3,0,0]=4 396 B11R2.36 BrC1=CC2=C(C=C1)CCO2 B48719 [0,0,0,1,0,0|3,0,0]=4 397 B11R2.36 BrC1=CC2=C(C=C1)CNC2 B0713 [0,0,0,1,0,0|3,0,0]=4 398 B11R2.36 BrC1=CC2=C(C=C1)NCC2 B22435 [0,0,0,1,0,0|2,0,0]=3 399 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 B47830 [0,0,0,1,0,0|1,0,2]=4 400 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 B44516 [0,0,0,1,0,0|2,0,1]=4 401 B11R2.36 BrC1=CC2=C(C=C1)OCC2 B24807 [0,0,0,1,0,0|1,0,0]=2 402 B11R2.36 BrC1=CC2=C(C=C1)OCO2 B68095 [0,0,0,1,0,0|2,0,0]=3 403 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 B29949 [0,0,0,1,0,0|2,0,1]=4 404 B11R2.36 BrC1=CN=C2NCCC2=C1 B12242 [0,0,0,1,0,0|3,0,0]=4 405 B11R2.36 BrC1=CN=C2NCCC2=C1 B30154 [0,0,0,1,0,0|3,0,0]=4 406 B11R2.36 BrC1=NC2=C(C=C1)NCC2 B45617 [0,0,0,1,0,0|3,0,0]=4 407 B11R2.36 CC1=CC2=C(C=C1)NCC2 M49974 [0,0,0,1,0,0|2,0,0]=3 408 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M48441 [0,0,0,1,0,0|2,0,1]=4 409 B11R2.36 CC1=CC2=C(C=C1)OCO2 M65617 [0,0,0,1,0,0|2,0,0]=3 410 B11R2.36 ClC1=CC2=C(C=C1)CCN2 C48881 [0,0,0,1,0,0|3,0,0]=4 411 B11R2.36 ClC1=CC2=C(C=C1)CNC2 C48884 [0,0,0,1,0,0|3,0,0]=4 412 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 C44528 [0,0,0,1,0,0|2,0,1]=4 413 B11R2.36 ClC1=CC2=C(C=C1)OCC2 C48731 [0,0,0,1,0,0|1,0,0]=2 414 B11R2.36 ClC1=CN=C2NCCC2=C1 C45621 [0,0,0,1,0,0|3,0,0]=4 415 B11R2.36 ClC1=NC2=C(C=C1)CCC2 C48882 [0,0,0,1,0,0|3,0,0]=4 416 B11R2.36 FC1=CC2=C(C=C1)CCC2 F51669 [0,0,0,1,0,0|2,0,0]=3 417 B11R2.36 FC1=CC2=C(C=C1)CNC2 F24902 [0,0,0,1,0,0|3,0,0]=4 418 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F47842 [0,0,0,1,0,0|1,0,2]=4 419 B11R2.36 FC1=CC2=C(C=C1)OCC2 F62598 [0,0,0,1,0,0|1,0,0]=2 420 B11R2.36 IC1=CC2=C(C=C1)CCC2 K64448 [0,0,0,1,0,0|2,0,0]=3 421 B11R2.36 IC1=CC2=C(C=C1)OCC2 I2714 [0,0,0,1,0,0|1,0,0]=2 422 B11R2.36 IC1=CC2=C(C=C1)ON=C2 K44557 [0,0,0,1,0,0|2,0,1]=4 423 B11R2.36 NC1=CC2=C(C=C1)COC2 D49267 [0,0,0,1,0,0|3,0,0]=4 424 B11R2.36 NC1=CC2=C(C=C1)OC=C2 B48437 [0,0,0,1,0,0|1,0,2]=4 425 B11R2.36 NC1=CC2=C(C=C1)OCC2 D49263 [0,0,0,1,0,0|1,0,0]=2 426 B11R2.36 NC1=CC2=C(C=C1)OCO2 M67396 [0,0,0,1,0,0|2,0,0]=3 427 B11R2.36 NC1=CC2=C(C=C1)ON=C2 B38213 [0,0,0,1,0,0|2,0,1]=4 428 B11R2.36 NC1=CC=C2OCOC2=N1 D60200 [0,0,0,1,0,0|3,0,0]=4 429 B11R2.36 OC1=CC2=C(C=C1)C=NN2 H3129 [0,0,0,1,0,0|3,0,0]=4 430 B11R2.36 OC1=CC2=C(C=C1)C=NO2 B44925 [0,0,0,1,0,0|3,0,0]=4 431 B11R2.36 OC1=CC2=C(C=C1)CCN2 K49255 [0,0,0,1,0,0|2,0,0]=3 432 B11R2.36 OC1=CC2=C(C=C1)CCO2 D49068 [0,0,0,1,0,0|2,0,0]=3 433 B11R2.36 OC1=CC2=C(C=C1)CNC2 D29486 [0,0,0,1,0,0|2,0,0]=3 434 B11R2.36 OC1=CC2=C(C=C1)N=CS2 H37396 [0,0,0,1,0,0|2,0,1]=4 435 B11R2.36 OC1=CC2=C(C=C1)NC=C2 F2321 [0,0,0,1,0,0|1,0,2]=4 436 B11R2.36 OC1=CC2=C(C=C1)NC=N2 B67409 [0,0,0,1,0,0|2,0,1]=4 437 B11R2.36 OC1=CC2=C(C=C1)NCC2 K49254 [0,0,0,1,0,0|1,0,0]=2 438 B11R2.36 OC1=CC2=C(C=C1)NN=C2 H3304 [0,0,0,1,0,0|2,0,1]=4 439 B11R2.36 OC1=CC2=C(C=C1)OCC2 D49067 [0,0,0,1,0,0|0,0,0]=1 440 B11R2.36 OC1=CC2=C(C=C1)SC=C2 B36743 [0,0,0,1,0,0|0,1,2]=4 441 B11R2.36 OC1=CC2=C(C=C1)SC=N2 B45070 [0,0,0,1,0,0|1,1,1]=4 442 B11R2.36 OC1=CC2=C(C=CN2)C=C1 H2141 [0,0,0,1,0,0|2,0,1]=4 443 B11R2.36 [Mg+]C1=CC2=C(C=C1)OCO2 B31763 [0,0,0,1,0,0|2,0,0]=3 444 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,0,0,0,1,0|3,0,0]=4 445 B9R1.7 CCOC1=NC(Br)=CS1 B2261 [0,0,0,0,1,0|3,0,0]=4 446 B9R1.7 CCOC1=NNC(Br)=C1 B15683 [0,0,0,0,1,0|3,0,0]=4 447 B8R0.1 CCOC(=O)\C=C\C=O E69342 [1,0,1,0,0,0|1,0,1]=4 448 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [1,0,1,0,0,0|2,0,0]=4 449 B8R1.2 BrCC1=CC=NC=C1 B36897 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.2 CCC1=NC=CN=C1 E43180 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|1,0,0]=3 456 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|1,0,0]=3 457 B8R1.2 COC1=CN=NC=C1 M41023 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|1,0,0]=3 459 B8R1.2 COC1=NC=CN=C1 M2768 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.2 COC1=NN=CC=C1 M41021 [2,0,0,0,0,0|2,0,0]=4 461 B8R1.2 ClCC1=CC=NC=C1 C68845 [2,0,0,0,0,0|2,0,0]=4 462 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 463 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|2,0,0]=4 464 B8R1.2 NCC1=CC=NC=C1 P67743 [2,0,0,0,0,0|2,0,0]=4 465 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|2,0,0]=4 466 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|1,0,0]=3 467 B8R1.2 OCC1=CC=NC=C1 P43429 [2,0,0,0,0,0|2,0,0]=4 468 B8R1.2 OCC1=CC=NC=C1 P67894 [2,0,0,0,0,0|2,0,0]=4 469 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|2,0,0]=4 470 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|2,0,0]=4 471 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|2,0,0]=4 472 B8R1.3 BrC1=CC=C(I)C=C1 B39232 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.3 CC1=CC=C(I)C=C1 K68149 [2,0,0,0,0,0|1,0,0]=3 474 B8R1.3 CC1=CC=C([Mg+])C=C1 M31731 [2,0,0,0,0,0|1,0,0]=3 475 B8R1.3 CC1=CN=C(Br)C=C1 B4672 [2,0,0,0,0,0|2,0,0]=4 476 B8R1.3 CC1=CN=C(Cl)C=C1 C21968 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.3 CC1=CN=C(F)C=C1 F22553 [2,0,0,0,0,0|2,0,0]=4 478 B8R1.3 CC1=CN=C(N)C=C1 M20542 [2,0,0,0,0,0|2,0,0]=4 479 B8R1.3 CC1=CN=C(O)C=C1 M63706 [2,0,0,0,0,0|1,0,0]=3 480 B8R1.3 CC1=CNC(=O)C=C1 M68372 [2,0,0,0,0,0|1,0,1]=4 481 B8R1.3 CC1=NC=C(Br)C=C1 B5402 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.3 CC1=NC=C(Cl)C=C1 C42845 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.3 CC1=NC=C(F)C=C1 F1117 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.3 CC1=NC=C(I)C=C1 I36966 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.3 CC1=NC=C(N)C=C1 A1121 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.3 CC1=NC=C(O)C=C1 H4553 [2,0,0,0,0,0|1,0,0]=3 487 B8R1.3 CC1=NC=C(O)C=N1 M23235 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.3 ClC1=CC=C(I)C=C1 C67848 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.3 FC1=CC=C(Br)C=C1 B39231 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.3 FC1=CC=C(I)C=C1 F39236 [2,0,0,0,0,0|2,0,0]=4 491 B8R1.3 FC1=CC=C(S)C=C1 F42373 [2,0,0,0,0,0|1,1,0]=4 492 B8R1.3 FC1=CC=C([Mg+])C=C1 F31733 [2,0,0,0,0,0|2,0,0]=4 493 B8R1.3 IC1=CC=C(I)C=C1 D39237 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.3 NC1=CC=C(I)C=C1 K68110 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.3 O=C1C=CC(O)=CN1 H67757 [2,0,0,0,0,0|1,0,1]=4 496 B8R1.3 OC1=CC=C(F)C=C1 F68080 [2,0,0,0,0,0|1,0,0]=3 497 B8R1.3 OC1=CN=C(Br)C=C1 B0344 [2,0,0,0,0,0|2,0,0]=4 498 B8R1.3 OC1=CN=C(Cl)C=C1 C4788 [2,0,0,0,0,0|2,0,0]=4 499 B8R1.3 OC1=CN=C(F)C=C1 F5147 [2,0,0,0,0,0|2,0,0]=4 500 B8R1.3 OC1=NC=C(Br)C=C1 B39171 [2,0,0,0,0,0|2,0,0]=4 501 B8R1.3 OC1=NC=C(Br)C=C1 B39172 [2,0,0,0,0,0|2,0,0]=4 502 B8R1.3 OC1=NC=C(F)C=C1 F36674 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.3 OC1=NC=C(I)C=C1 K40858 [2,0,0,0,0,0|2,0,0]=4 504 B8R1.3 SC1=CC=C(Br)C=C1 B60845 [2,0,0,0,0,0|1,1,0]=4 505 B8R1.3 SC1=CC=C(S)C=C1 B63577 [2,0,0,0,0,0|0,2,0]=4 506 B8R1.3 [Mg+]C1=CC=C(Cl)C=C1 C31752 [2,0,0,0,0,0|2,0,0]=4 507 B10R1.3 BrCC1=CC=C(CBr)C=C1 B48752 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.3 C#CC1=CC=C(CC)C=C1 E52271 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.3 C#CC1=CC=C(CN)C=C1 E38189 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.3 C#CC1=CC=C(CO)C=C1 E51546 [1,1,0,0,0,0|0,0,2]=4 511 B10R1.3 C#CC1=CC=C(OC)C=C1 E51542 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.3 C#CC1=CN=C(OC)C=C1 E0638 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.3 C=CC1=CC=C(CO)C=C1 V32337 [1,1,0,0,0,0|0,0,2]=4 514 B10R1.3 C=CC1=CC=C(OC)C=C1 M68575 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.3 CCC1=CC=C(NN)C=C1 E49533 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.3 CNC1=CC=C(C#N)C=C1 M67463 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.3 COC1=CC=C(C#N)C=C1 M68579 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [1,1,0,0,0,0|0,0,0]=2 522 B10R1.3 COC1=CC=C(NN)C=C1 M46462 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [1,1,0,0,0,0|0,0,0]=2 524 B10R1.3 COC1=CN=C(C#N)C=C1 M5547 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.3 COC1=CN=C(C=O)C=C1 M15225 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.3 COC1=CN=C(OC)C=C1 D46391 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.3 COC1=NC=C(C#N)C=C1 M9551 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.3 COC1=NC=C(C=O)C=C1 M31008 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.3 COC1=NC=C(CO)C=N1 M16831 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.3 COC1=NC=C(CO)N=C1 M61572 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.3 COC1=NC=C(NN)C=C1 H43550 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [1,1,0,0,0,0|0,1,1]=4 541 B10R1.3 N#CC1=CC=C(CBr)C=C1 C47942 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.3 N#CC1=CC=C(CCl)C=C1 C47959 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.3 N#CC1=CC=C(CN)C=C1 A37021 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.3 N#CC1=CC=C(CN)C=C1 A49611 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.3 N#CC1=CC=C(CO)C=C1 H48443 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.3 NCC1=CC=C(CN)C=C1 P46958 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.3 NCC1=CC=C(CO)C=C1 A37992 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.3 O=CC1=CC=C(CBr)C=C1 B24021 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.3 O=CC1=CC=C(CCl)C=C1 C38746 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.3 OCC1=CC=C(CBr)C=C1 B38754 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.3 OCC1=CC=C(CCl)C=C1 C49451 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.3 OCC1=CC=C(CO)C=C1 B68897 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,1,0,0,0,0|0,0,1]=3 556 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,1,0,0,0,0|0,0,1]=3 562 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,1,0,0,0,0|0,0,0]=2 566 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,1,0,0,0,0|1,1,0]=4 576 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,1,0,0,0,0|0,0,0]=2 608 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,1,0,0,0,0|1,1,0]=4 609 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 C44732 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.13 FC(F)C1=CC=C(I)C=C1 D44733 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.13 NC1=CC=C(C(F)F)C=C1 D46546 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.13 OC1=CN=C(C(F)F)C=C1 D43514 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.25 BrCC1=C(I)C=C(Br)C=C1 B44700 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.25 CC1=C(C#N)C=CC(O)=C1 H48449 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.25 CC1=C(C=O)C=CC(O)=C1 H49073 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 B48758 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.25 CC1=C(CF)C=CC(Br)=C1 B48770 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46736 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46744 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.25 CC1=C(CO)C=CC(Br)=C1 B61046 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.25 CC1=C(CO)C=CC(N)=C1 A39080 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.25 CC1=CC(C)=C(CBr)C=C1 B49966 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 C46753 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.25 CC1=CC(N)=C(CO)C=C1 A46913 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 C46746 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.25 CCC1=C(F)C=C(O)C=C1 E65621 [1,1,0,0,0,0|0,0,0]=2 630 B10R1.25 CCC1=C(N)C=C(Br)C=C1 B46721 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C46745 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.25 CCC1=NC=C(Br)C=C1N A11260 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.25 CCN1C=CC(Br)=CC1=O B15236 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.25 CCN1C=CC(N)=CC1=O A27174 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.25 CCN1C=CC(N)=CC1=O A7787 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.25 CNC1=C(Br)C=C(C)C=C1 B46730 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.25 CNC1=C(N)C=C(Br)C=C1 B46287 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.25 CNC1=C(N)C=C(Cl)C=C1 C46303 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.25 COC1=C(Br)C=C(Br)C=N1 D42633 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.25 COC1=C(Br)C=C(C)C=N1 B46168 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 B39392 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.25 COC1=C(Br)C=C(Cl)C=N1 B16110 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.25 COC1=C(Br)C=C(Cl)N=C1 B42645 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.25 COC1=C(Br)C=C(F)C=C1 B39393 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.25 COC1=C(Br)C=C(F)C=N1 B42652 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.25 COC1=C(Br)C=C(F)N=C1 B37314 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.25 COC1=C(Br)C=C(I)C=C1 B45584 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.25 COC1=C(Br)C=C(N)C=C1 B46154 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.25 COC1=C(Br)C=C(N)C=N1 B43055 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.25 COC1=C(Br)C=C(O)C=C1 B45899 [1,1,0,0,0,0|0,0,0]=2 651 B10R1.25 COC1=C(Br)C=C(O)C=N1 B42852 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.25 COC1=C(Br)N=C(I)C=C1 B36842 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.25 COC1=C(C)C=C(Br)C=C1 B49440 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.25 COC1=C(C)C=C(F)C=C1 F49467 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.25 COC1=C(C)C=C(I)C=C1 K49474 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.25 COC1=C(C)C=C(N)C=C1 M46909 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.25 COC1=C(C)C=C(O)C=C1 M38275 [1,1,0,0,0,0|0,0,0]=2 659 B10R1.25 COC1=C(C)C=C([Mg+])C=C1 M31769 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.25 COC1=C(C)N=C(Br)C=C1 B46175 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 B45564 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C46202 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.25 COC1=C(Cl)C=C(N)C=N1 C43070 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.25 COC1=C(Cl)C=C(N)N=C1 C10605 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.25 COC1=C(F)C=C(Br)C=C1 B13752 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.25 COC1=C(F)C=C(I)C=C1 F45610 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.25 COC1=C(F)C=C(N)C=C1 F38501 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.25 COC1=C(F)C=C(N)C=N1 A43085 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 COC1=C(F)C=C(O)C=C1 F23734 [1,1,0,0,0,0|0,0,0]=2 670 B10R1.25 COC1=C(F)C=C([Mg+])C=C1 F31773 [1,1,0,0,0,0|1,0,0]=3 671 B10R1.25 COC1=C(I)C=C(Br)C=C1 B38589 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.25 COC1=C(I)C=C(Br)C=N1 B42657 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.25 COC1=C(I)C=C(C)C=C1 K62337 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.25 COC1=C(I)C=C(Cl)C=C1 C45602 [1,1,0,0,0,0|1,0,0]=3 675 B10R1.25 COC1=C(I)C=C(N)C=C1 K46229 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.25 COC1=C(I)C=C(N)C=C1 K46231 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.25 COC1=C(N)C=C(Br)C=C1 B46157 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.25 COC1=C(N)C=C(F)C=C1 F46211 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.25 COC1=C(N)C=C(I)C=C1 A46224 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.25 COC1=C(N)N=C(Br)C=C1 B36893 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.25 COC1=C(N)N=C(F)C=C1 F43084 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.25 COC1=C(O)C=C(Br)C=C1 B37821 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.25 COC1=C(O)C=C(F)C=C1 F45919 [1,1,0,0,0,0|1,0,0]=3 684 B10R1.25 COC1=C(O)C=C(N)C=C1 A46397 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.25 COC1=C(O)C=C(O)C=C1 M61053 [1,1,0,0,0,0|0,0,0]=2 686 B10R1.25 COC1=C(O)N=C(O)N=C1 D41043 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.25 COC1=C([Mg+])C=C(C)C=C1 M31765 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.25 COC1=C([Mg+])C=C(Cl)C=C1 C31793 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.25 COC1=C([Mg+])C=C(F)C=C1 F31774 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.25 COC1=CC=C(Br)N=C1Br D42631 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.25 COC1=CC=C(C)N=C1Br B3731 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.25 COC1=CC=C(C)N=C1Cl C46200 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.25 COC1=CC=C(Cl)N=C1Br B42641 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.25 COC1=CC=C(N)N=C1Cl C10744 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.25 COC1=CN=C(Br)C=C1N B62821 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.25 COC1=CN=C(Cl)C=C1N C43069 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.25 COC1=NC=C(Br)C=C1C B46172 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.25 COC1=NC=C(Br)C=C1Cl B42648 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.25 COC1=NC=C(Br)C=C1F B42654 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.25 COC1=NC=C(Br)C=C1N B7645 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.25 COC1=NC=C(Br)C=C1O B10651 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.25 COC1=NC=C(Cl)C=C1F C69055 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.25 COC1=NC=C(F)C=C1C F46221 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.25 COC1=NC=C(F)C=C1N F37439 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.25 COC1=NC=C(N)C=C1C M43642 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 B44691 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 B38059 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 B39350 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 B44692 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.25 FC1=CC(Cl)=C(CBr)C=C1 B44714 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.25 FC1=CC(F)=C(CBr)C=C1 B44724 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.25 N#CC1=C(Cl)C=C(O)C=C1 C38503 [1,1,0,0,0,0|1,0,1]=4 713 B10R1.25 N#CC1=C(F)C=C(O)C=C1 F39332 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.25 N#CC1=C(O)C=C(O)C=C1 D24706 [1,1,0,0,0,0|1,0,1]=4 715 B10R1.25 NC1=C(CO)C=CC(Br)=C1 A46164 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.25 NC1=C(CO)C=CC(Cl)=C1 A46195 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.25 NCC1=C(Br)C=C(Cl)C=C1 B45767 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 D45792 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 C68851 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.25 NCC1=C(F)C=C(Br)C=C1 B45781 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 C63109 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.25 NCC1=C(F)C=C(F)C=C1 D38872 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.25 NCC1=C(O)C=C(Br)C=C1 A46159 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 B37795 [1,1,0,0,0,0|1,0,1]=4 725 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 C45089 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.25 O=CC1=C(F)C=C(O)C=C1 F45098 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.25 O=CC1=C(I)C=C(O)C=C1 H69541 [1,1,0,0,0,0|1,0,1]=4 728 B10R1.25 O=CC1=C(O)C=C(O)C=C1 D67877 [1,1,0,0,0,0|1,0,1]=4 729 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 D45544 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.25 OCC1=C(Br)C=C(F)C=C1 B45567 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.25 OCC1=C(Br)C=C(O)C=C1 B45904 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 D63315 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 C45594 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.25 OCC1=C(F)C=C(Br)C=C1 B61349 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 C45596 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.25 OCC1=C(F)C=C(F)C=C1 D45607 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.25 OCC1=C(F)C=C(O)C=C1 F38990 [1,1,0,0,0,0|1,0,0]=3 738 B10R1.25 OCC1=C(O)C=C(Br)C=C1 B38232 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.176 BrCC1=CC(Br)=C(Br)C=C1 D44703 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 B38347 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.176 CC1=C(Br)C=C(CO)C=C1 B49432 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 B48757 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.176 CC1=C(Br)C=CC(CO)=C1 B49433 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 C46749 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.176 CC1=C(F)C=CC(CN)=C1 F46767 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.176 CC1=C(I)C=C(CO)C=C1 K63324 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.176 CC1=C(O)C=CC(C#N)=C1 H48450 [1,1,0,0,0,0|1,0,1]=4 750 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.176 CCC1=CC(Br)=C(O)C=C1 B49424 [1,1,0,0,0,0|0,0,0]=2 753 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.176 CCC1=CC(C)=C(I)C=C1 E49973 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.176 CCC1=CC(F)=C(N)C=C1 E46758 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.176 CCC1=CC(N)=C(N)C=C1 E49664 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.176 CCC1=CC(O)=C(N)C=C1 A49521 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 B45765 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 D45789 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.176 COC1=CC(Br)=C(Br)C=C1 D45549 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.176 COC1=CC(Br)=C(C)C=C1 B49439 [1,1,0,0,0,0|1,0,0]=3 762 B10R1.176 COC1=CC(Br)=C(C)C=N1 B37321 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.176 COC1=CC(Br)=C(C)N=C1 B13456 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 B45563 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.176 COC1=CC(Br)=C(Cl)C=N1 B42646 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.176 COC1=CC(Br)=C(F)C=C1 B45565 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.176 COC1=CC(Br)=C(F)C=N1 B42653 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.176 COC1=CC(Br)=C(I)C=C1 B45583 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.176 COC1=CC(Br)=C(N)C=C1 B38510 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.176 COC1=CC(Br)=C(O)C=C1 B38008 [1,1,0,0,0,0|0,0,0]=2 771 B10R1.176 COC1=CC(C)=C(Br)C=C1 B49437 [1,1,0,0,0,0|1,0,0]=3 772 B10R1.176 COC1=CC(C)=C(Br)C=N1 B46173 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.176 COC1=CC(C)=C(F)C=C1 F49456 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [1,1,0,0,0,0|0,0,0]=2 775 B10R1.176 COC1=CC(C)=C([Mg+])C=C1 M31768 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 B45553 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.176 COC1=CC(Cl)=C(Br)C=N1 B38791 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.176 COC1=CC(Cl)=C(C)C=C1 C49453 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 D45585 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.176 COC1=CC(Cl)=C(F)C=C1 C45600 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.176 COC1=CC(Cl)=C(I)C=C1 C63668 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.176 COC1=CC(Cl)=C(N)C=C1 C37946 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.176 COC1=CC(Cl)=C(O)C=C1 C45910 [1,1,0,0,0,0|0,0,0]=2 784 B10R1.176 COC1=CC(F)=C(Br)C=C1 B45566 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.176 COC1=CC(F)=C(Br)C=N1 B60043 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.176 COC1=CC(F)=C(C)C=C1 F49466 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.176 COC1=CC(F)=C(Cl)C=C1 C45599 [1,1,0,0,0,0|1,0,0]=3 788 B10R1.176 COC1=CC(F)=C(F)C=C1 D65181 [1,1,0,0,0,0|1,0,0]=3 789 B10R1.176 COC1=CC(F)=C(N)C=C1 F38553 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.176 COC1=CC(F)=C(N)N=C1 F43081 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.176 COC1=CC(I)=C(Br)C=C1 B38541 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.176 COC1=CC(I)=C(Cl)C=C1 C63030 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.176 COC1=CC(I)=C(Cl)C=N1 C61104 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.176 COC1=CC(I)=C(F)C=N1 F62243 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.176 COC1=CC(I)=C(N)C=C1 K46228 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.176 COC1=CC(N)=C(Br)C=C1 B46152 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.176 COC1=CC(N)=C(Br)C=N1 A7726 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.176 COC1=CC(N)=C(C)C=C1 M46901 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.176 COC1=CC(N)=C(Cl)C=C1 C46185 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.176 COC1=CC(N)=C(F)C=C1 F36653 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.176 COC1=CC(N)=C(F)C=N1 F24390 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.176 COC1=CC(N)=C(I)C=C1 I5695 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.176 COC1=CC(N)=C(N)C=C1 M43632 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.176 COC1=CC(N)=C(N)C=C1 M46463 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.176 COC1=CC(N)=C(O)C=C1 A46393 [1,1,0,0,0,0|0,0,0]=2 806 B10R1.176 COC1=CC(O)=C(Br)C=C1 B45898 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.176 COC1=CC(O)=C(C)C=C1 M46827 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.176 COC1=CC(O)=C(I)C=C1 K45922 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.176 COC1=CC(O)=C(N)C=C1 A46394 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.176 COC1=CC(O)=C(N)C=C1 A46576 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.176 COC1=CC=C(Br)C(Br)=N1 D42629 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 D42661 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.176 COC1=CC=C(N)C(Br)=N1 A43056 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.176 COC1=CC=C(N)C(Cl)=N1 A3832 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.176 COC1=CN=C(Br)C(N)=C1 B43053 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C46201 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.176 COC1=CN=C(Cl)C(N)=C1 C25045 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.176 COC1=NC(C)=C(Br)C=C1 B46158 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.176 COC1=NC(C)=C(F)C=C1 F46212 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.176 COC1=NC(C)=C(N)C=C1 M46590 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.176 COC1=NC(C)=C(N)C=C1 M69566 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.176 COC1=NC(Cl)=C(Br)C=C1 B42643 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.176 COC1=NC(N)=C(Br)C=C1 B38888 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.176 COC1=NC=C(C)C(N)=C1 M43637 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.176 COC1=NC=C(N)C(C)=C1 M43641 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.176 COC1=NC=C(N)C(N)=C1 M43351 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 D44705 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.176 FC1=C(Br)C=C(CBr)C=C1 B44699 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 B44697 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 B44717 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.176 FC1=C(Cl)C=C(CCl)C=C1 C44729 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 B44522 [1,1,0,0,0,0|1,0,1]=4 833 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 C22522 [1,1,0,0,0,0|1,0,1]=4 834 B10R1.176 N#CC1=CC(F)=C(O)C=C1 F44546 [1,1,0,0,0,0|1,0,1]=4 835 B10R1.176 N#CC1=CC(I)=C(O)C=C1 H44558 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.176 N#CC1=CC(N)=C(O)C=C1 A69485 [1,1,0,0,0,0|1,0,1]=4 837 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [1,1,0,0,0,0|1,0,1]=4 838 B10R1.176 NC1=C(Br)C=CC(CO)=C1 A63987 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.176 NC1=C(F)C=CC(CO)=C1 A46218 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.176 NC1=C(O)C=CC(CO)=C1 A46403 [1,1,0,0,0,0|1,0,0]=3 841 B10R1.176 NCC1=CC(Cl)=C(Br)C=C1 B45768 [1,1,0,0,0,0|2,0,0]=4 842 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 D45785 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 C45798 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.176 NCC1=CC(F)=C(Br)C=C1 B37399 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 C45803 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 B45084 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C45092 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.176 O=CC1=CC(F)=C(O)C=C1 F45101 [1,1,0,0,0,0|1,0,1]=4 849 B10R1.176 O=CC1=CC(I)=C(O)C=C1 H69424 [1,1,0,0,0,0|1,0,1]=4 850 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 B45556 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.176 OCC1=CC(Br)=C(O)C=C1 B45902 [1,1,0,0,0,0|1,0,0]=3 852 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 D45586 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.176 OCC1=CC(F)=C(Br)C=C1 B45570 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 C45597 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.176 OCC1=CC(F)=C(F)C=C1 D45608 [1,1,0,0,0,0|2,0,0]=4 856 B10R1.176 OCC1=CC(O)=C(Br)C=C1 B45903 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.176 OCC1=CC(O)=C(F)C=C1 F45920 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.176 OCC1=CC(O)=C(I)C=C1 H45924 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,1,0,0,0,0|1,0,0]=3 861 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [1,1,0,0,0,0|1,0,0]=3 863 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,1,0,0,0,0|0,0,0]=2 864 B10R1.4 CCOC1=CC=CNC1=O E46398 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.4 CCOC1=NC=CN=C1Br B43051 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.4 CCOC1=NC=CN=C1N A36915 [1,1,0,0,0,0|2,0,0]=4 867 B10R1.4 CCOC1=NC=NC=C1N E43347 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [1,1,0,0,0,0|0,1,0]=3 869 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,1,0,0,0,0|2,0,0]=4 876 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,1,0,0,0,0|2,0,0]=4 878 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,1,0,0,0,0|2,0,0]=4 881 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,1,0,0,0,0|2,0,0]=4 882 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [1,1,0,0,0,0|2,0,0]=4 883 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [1,1,0,0,0,0|2,0,0]=4 884 B10R1.10 CCNC1=NC=CC(N)=C1 A43751 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [1,1,0,0,0,0|1,0,0]=3 886 B10R1.10 CCOC1=CC(Br)=NC=C1 B21763 [1,1,0,0,0,0|1,0,0]=3 887 B10R1.10 CCOC1=CC(Cl)=NC=C1 C46183 [1,1,0,0,0,0|1,0,0]=3 888 B10R1.10 CCOC1=CC(Cl)=NN=C1 C43067 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.10 CCOC1=CC(F)=NC=C1 E46208 [1,1,0,0,0,0|1,0,0]=3 890 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [1,1,0,0,0,0|0,0,0]=2 891 B10R1.10 CCOC1=CC(N)=NC=C1 A43626 [1,1,0,0,0,0|1,0,0]=3 892 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [1,1,0,0,0,0|0,0,0]=2 893 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [1,1,0,0,0,0|0,0,0]=2 894 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [1,1,0,0,0,0|0,0,0]=2 895 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [1,1,0,0,0,0|1,0,0]=3 896 B10R1.10 CCOC1=NC(C)=CN=C1 E43628 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [1,1,0,0,0,0|1,0,0]=3 898 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [1,1,0,0,0,0|1,0,0]=3 899 B10R1.10 CCOC1=NC=NC(C)=C1 E43631 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [1,1,0,0,0,0|0,1,0]=3 901 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [1,1,0,0,0,0|2,0,0]=4 912 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [1,1,0,0,0,0|2,0,0]=4 914 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,1,0,0,0,0|1,0,0]=3 915 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,1,0,0,0,0|1,0,0]=3 917 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [1,1,0,0,0,0|1,1,0]=4 922 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,1,0,0,0,0|2,0,0]=4 924 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,1,0,0,0,0|2,0,0]=4 926 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,1,0,0,0,0|2,0,0]=4 928 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,1,0,0,0,0|2,0,0]=4 929 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,1,0,0,0,0|2,0,0]=4 930 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,1,0,0,0,0|2,0,0]=4 934 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,1,0,0,0,0|2,0,0]=4 935 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,1,0,0,0,0|0,0,0]=2 937 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,1,0,0,0,0|1,0,1]=4 938 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,1,0,0,0,0|0,0,1]=3 939 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,1,0,0,0,0|0,0,2]=4 940 B10R1.17 CCCCC1=CC=NC=C1 B50306 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,1,0,0,0,0|0,0,0]=2 943 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,1,0,0,0,0|1,0,0]=3 944 B10R1.17 CCNCC1=NC=CC=C1 P46970 [1,1,0,0,0,0|2,0,0]=4 945 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,1,0,0,0,0|0,0,0]=2 946 B10R1.17 CNCCC1=CC=CN=C1 M46974 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,1,0,0,0,0|0,0,0]=2 949 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,1,0,0,0,0|0,1,0]=3 950 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,1,0,0,0,0|0,0,1]=3 951 B10R1.17 NCCCC1=CC=NC=C1 P46966 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,1,0,0,0,0|1,0,0]=3 953 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,1,0,0,0,0|0,0,0]=2 954 B10R1.17 NCCOC1=CC=NC=C1 P46588 [1,1,0,0,0,0|1,0,0]=3 955 B10R1.17 NCCOC1=NC=CC=C1 P43633 [1,1,0,0,0,0|1,0,0]=3 956 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.17 OCCCC1=CC=NC=C1 P46905 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,1,0,0,0,0|2,0,0]=4 959 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,1,0,0,0,0|2,0,0]=4 960 B10R1.17 OCCSC1=NC=CC=C1 P46439 [1,1,0,0,0,0|1,1,0]=4 961 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,1,0,0,0,0|1,0,0]=3 965 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [1,1,0,0,0,0|1,0,0]=3 966 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [1,1,0,0,0,0|1,0,0]=3 967 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [1,1,0,0,0,0|1,0,0]=3 968 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [1,1,0,0,0,0|1,0,1]=4 970 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.1 COCCOC1=CC=C(Br)C=C1 B36726 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.1 COCCOC1=CC=C(N)C=C1 M50360 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C52680 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.1 FC1=CC=C(OCCCCl)C=C1 C68838 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.1 N#CCCOC1=CC=C(Br)C=C1 B51509 [0,2,0,0,0,0|1,0,0]=3 977 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C68955 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 F52671 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 E69403 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 E68949 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 E69037 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 E39579 [0,2,0,0,0,0|1,0,0]=3 986 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 E48903 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 E10450 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 E39503 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 E3775 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 E49308 [0,2,0,0,0,0|1,0,0]=3 991 B12R1.16 CCOC(=O)C1=CN=C(O)N=C1 E46039 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 E38711 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 E50035 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 E48935 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 H49931 [0,2,0,0,0,0|1,0,0]=3 996 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 A52258 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A50260 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A63764 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 A50262 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B51653 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 C51659 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [0,2,0,0,0,0|1,0,1]=4 1003 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [0,2,0,0,0,0|1,0,1]=4 1004 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 H64154 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [0,2,0,0,0,0|1,0,1]=4 1006 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 A52152 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 A69484 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.69 CC1=CC(N)=C(CCCO)C=C1 A65990 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 B50126 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 D47003 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 D49670 [0,2,0,0,0,0|1,0,0]=3 1012 B12R1.71 C#CC1=CC=C(CCCC)C=C1 B55853 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.71 C#CC1=CC=C(OCCC)C=C1 E54537 [0,2,0,0,0,0|1,0,0]=3 1014 B12R1.71 CCCOC1=CC=C(C=O)C=C1 P2642 [0,2,0,0,0,0|0,0,1]=3 1015 B12R1.71 CCNCC1=CC=C(OC)C=C1 M53139 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.71 COC1=CC=C(CCCN)C=C1 M53143 [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.71 COC1=CC=C(OCCN)C=C1 M50362 [0,2,0,0,0,0|0,0,0]=2 1018 B12R1.71 N#CC1=CC=C(CCCO)C=C1 H52548 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.71 O=CC1=CC=C(OCCBr)C=C1 B51882 [0,2,0,0,0,0|0,0,1]=3 1020 B12R1.71 O=CC1=CC=C(OCCO)C=C1 H49920 [0,2,0,0,0,0|0,0,1]=3 1021 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 H50365 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 A52418 [0,2,0,0,0,0|1,0,1]=4 1023 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 B51883 [0,2,0,0,0,0|1,0,1]=4 1024 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 P63801 [0,2,0,0,0,0|1,0,0]=3 1025 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 P52789 [0,2,0,0,0,0|0,0,1]=3 1026 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 P52189 [0,2,0,0,0,0|1,0,0]=3 1027 B12R1.4 CC(C)OC1=NC=C(C#N)C=C1 P49720 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.4 CC(C)OC1=NC=C(C=O)C=C1 P50045 [0,2,0,0,0,0|1,0,1]=4 1029 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [0,2,0,0,0,0|1,0,1]=4 1030 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 M48659 [0,2,0,0,0,0|1,0,1]=4 1031 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 B48723 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.4 N#CC1=CC=C(OC(F)F)C=C1 D47752 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 D48189 [0,2,0,0,0,0|1,0,1]=4 1034 B12R1.4 OCC1=CC=C(OC(F)F)C=C1 D49085 [0,2,0,0,0,0|1,0,0]=3 1035 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 C48957 [0,2,0,0,0,0|1,0,1]=4 1036 B12R1.19 NC1=C(F)C=C(OC(F)F)C=C1 D45502 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 C52670 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 B53066 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 C53070 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.20 CC(C)[S@](=O)C1=CC=C(Br)C=C1 B50158 [0,2,0,0,0,0|1,1,0]=4 1041 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 M55525 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Br)C=C1 B68482 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 B51910 [0,2,0,0,0,0|1,0,0]=3 1044 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 B53015 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 C53019 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.106 CC1=CC=C(OC(F)(F)F)C=C1 T48745 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.106 FC(F)(F)OC1=CC=C(Br)C=C1 B28635 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.106 FC(F)(F)OC1=CC=C(I)C=C1 K39348 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.106 FC(F)(F)OC1=CC=C([Mg+])C=C1 T31805 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.106 FC1=CC=C(OC(F)(F)F)C=C1 F39349 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.106 NC1=CC=C(OC(F)(F)Cl)C=C1 C45490 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.106 NC1=CC=C(OC(F)(F)F)C=C1 T68993 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.106 O=P([O-])([O-])OC1=CC=C(O)C=C1 S42720 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.106 OC1=CC=C(OC(F)(F)F)C=C1 T36916 [0,2,0,0,0,0|1,0,0]=3 1055 B12R1.106 OC1=CC=C(SC(F)(F)F)C=C1 T45151 [0,2,0,0,0,0|1,1,0]=4 1056 B12R1.233 CC(C)OC1=C(Cl)C=C(Br)C=C1 B49958 [0,2,0,0,0,0|1,0,0]=3 1057 B12R1.233 CC(C)OC1=C(N)C=C(Br)C=C1 B50253 [0,2,0,0,0,0|1,0,0]=3 1058 B12R1.233 CC1=C(OC(F)F)C=CC(Br)=C1 B48724 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.233 CC1=CC(Br)=C(OC(C)C)N=C1 B50255 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.233 C[C@H](O)CC1=C(F)C=C(F)C=C1 D37207 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.233 FC(F)OC1=C(Br)C=C(Cl)C=C1 B44643 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.233 FC1=C(OC(F)F)C=CC(Br)=C1 B62408 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.233 FC1=CC(Br)=C(OC(F)F)C=C1 B44656 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 E22775 [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 M50044 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M68842 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 B68678 [0,2,0,0,0,0|2,0,0]=4 1068 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 C68948 [0,2,0,0,0,0|2,0,0]=4 1069 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A50364 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52181 [0,2,0,0,0,0|2,0,0]=4 1071 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52182 [0,2,0,0,0,0|2,0,0]=4 1072 B12R1.9 CCS(=O)(=O)C1=CC=C(Br)C=C1 B63054 [0,2,0,0,0,0|1,1,0]=4 1073 B12R1.367 CCC(=O)C1=CC(C)=C(C)C=C1 D54760 [0,2,0,0,0,0|2,0,0]=4 1074 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 D51656 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.367 CCC(=O)C1=CC(F)=C(F)C=C1 D51660 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.367 CC[C@@H](N)C1=CC(F)=C(F)C=C1 D52097 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 D52099 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 M48645 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 M49925 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 M48662 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.367 COC(=O)C1=CC(F)=C(O)C=C1 M48682 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 M48696 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 M38011 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 C39498 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 D51655 [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 B51654 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 D55527 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.1703 COC(=O)C1=C(C)C=C(O)C=C1 M49924 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=C1 M37057 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 M48678 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.1703 COC(=O)C1=C(N)C=C(O)C=C1 M49327 [0,2,0,0,0,0|2,0,0]=4 1092 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M39507 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.112 CCOC1=NC=C(Br)C=C1OC B46774 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 B51877 [0,2,0,0,0,0|0,0,1]=3 1095 B12R1.544 CCOC1=C(F)C(Cl)=C(Br)C=C1 B48720 [0,2,0,0,0,0|1,0,0]=3 1096 B12R1.544 CCOC1=C(F)C(F)=C(Br)C=C1 B48721 [0,2,0,0,0,0|1,0,0]=3 1097 B12R1.544 CCOC1=CC=C(O)C(F)=C1F E49084 [0,2,0,0,0,0|0,0,0]=2 1098 B12R1.113 CC#CC1=CC=C(C(=O)O)C=C1 P53794 [0,2,0,0,0,0|1,0,1]=4 1099 B12R1.113 CCCC1=CC=C(B(O)O)C=C1 P5058 [0,2,0,0,0,0|1,0,0]=3 1100 B12R1.113 CCCC1=CC=C(C(=O)O)C=C1 P39602 [0,2,0,0,0,0|1,0,0]=3 1101 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 E3100 [0,2,0,0,0,0|0,0,0]=2 1102 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 E52787 [0,2,0,0,0,0|0,0,1]=3 1103 B12R1.113 CCOC1=CN=C(C(=O)O)C=C1 E49300 [0,2,0,0,0,0|1,0,0]=3 1104 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 E46032 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.113 CCOC1=NC=C(B(O)O)C=C1 E43705 [0,2,0,0,0,0|1,0,0]=3 1106 B12R1.113 CCOC1=NC=C(B(O)O)C=N1 E2621 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.113 CCOC1=NC=C([N+](=O)[O-])C=C1 E46022 [0,2,0,0,0,0|1,0,1]=4 1108 B12R1.113 CCSC1=CC=C(B(O)O)C=C1 E3166 [0,2,0,0,0,0|0,1,0]=3 1109 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 B51878 [0,2,0,0,0,0|2,0,0]=4 1110 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 H49916 [0,2,0,0,0,0|2,0,0]=4 1111 B12R1.113 OCCC1=CC=C(B(O)O)C=C1 H46949 [0,2,0,0,0,0|2,0,0]=4 1112 B12R1.288 COC1=C(F)C=C(CCO)C=C1 F50130 [0,2,0,0,0,0|2,0,0]=4 1113 B12R1.288 COC1=C(O)C=C(CCN)C=C1 A69548 [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.286 CCOC1=CC(C=O)=C(Br)C=C1 B51876 [0,2,0,0,0,0|1,0,0]=3 1115 B10R1.30 CCC1=C(Br)C=CC(O)=C1 B49425 [0,0,1,1,0,0|2,0,0]=4 1116 B10R2.31 BrC1=CC2=C(C=C1)CC2 B48297 [1,0,0,1,0,0|1,0,0]=3 1117 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,1,0,0|2,0,0]=4 1118 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,1,0,0|2,0,0]=4 1119 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|2,0,0]=4 1120 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,1,0,0|1,0,1]=4 1121 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|0,0,0]=2 1122 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,1,0,0|1,0,0]=3 1123 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [1,0,0,1,0,0|1,1,0]=4 1124 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [1,0,0,1,0,0|2,0,0]=4 1125 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [1,0,0,1,0,0|2,0,0]=4 1126 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [1,0,0,1,0,0|2,0,0]=4 1127 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [1,0,0,1,0,0|2,0,0]=4 1128 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [1,0,0,1,0,0|2,0,0]=4 1129 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [1,0,0,1,0,0|2,0,0]=4 1130 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [0,1,0,1,0,0|2,0,0]=4 1131 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B61360 [0,1,0,1,0,0|2,0,0]=4 1132 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B8109 [0,1,0,1,0,0|2,0,0]=4 1133 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [0,1,0,1,0,0|2,0,0]=4 1134 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B11621 [0,1,0,1,0,0|2,0,0]=4 1135 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B5487 [0,1,0,1,0,0|2,0,0]=4 1136 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 B52019 [0,1,0,1,0,0|2,0,0]=4 1137 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B14752 [0,1,0,1,0,0|2,0,0]=4 1138 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B15726 [0,1,0,1,0,0|2,0,0]=4 1139 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 B14749 [0,1,0,1,0,0|2,0,0]=4 1140 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B37601 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B49030 [0,1,0,1,0,0|2,0,0]=4 1142 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [0,1,0,1,0,0|1,0,0]=3 1143 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 B49029 [0,1,0,1,0,0|1,0,0]=3 1144 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 B48585 [0,1,0,1,0,0|1,0,0]=3 1145 B12R2.24 BrC1=CN=C2OCCOC2=C1 B45348 [0,1,0,1,0,0|2,0,0]=4 1146 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 B38889 [0,1,0,1,0,0|2,0,0]=4 1147 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [0,1,0,1,0,0|2,0,0]=4 1148 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M52881 [0,1,0,1,0,0|2,0,0]=4 1149 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M61207 [0,1,0,1,0,0|2,0,0]=4 1150 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C32116 [0,1,0,1,0,0|2,0,0]=4 1151 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C49776 [0,1,0,1,0,0|2,0,0]=4 1152 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49772 [0,1,0,1,0,0|2,0,0]=4 1153 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49779 [0,1,0,1,0,0|2,0,0]=4 1154 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 C67678 [0,1,0,1,0,0|2,0,0]=4 1155 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 C23914 [0,1,0,1,0,0|2,0,0]=4 1156 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 C49043 [0,1,0,1,0,0|1,0,0]=3 1157 B12R2.24 FC1=CC2=C(C=C1)CNCC2 F60960 [0,1,0,1,0,0|2,0,0]=4 1158 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F38792 [0,1,0,1,0,0|2,0,0]=4 1159 B12R2.24 FC1=CC2=C(C=C1)OCCN2 F49619 [0,1,0,1,0,0|1,0,0]=3 1160 B12R2.24 IC1=NC2=C(C=C1)OCCN2 K45719 [0,1,0,1,0,0|2,0,0]=4 1161 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T63563 [0,1,0,1,0,0|2,0,0]=4 1162 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T67419 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.24 NC1=CC2=C(C=C1)CCNC2 T52130 [0,1,0,1,0,0|2,0,0]=4 1164 B12R2.24 NC1=CC2=C(C=C1)OCCO2 D49293 [0,1,0,1,0,0|1,0,0]=3 1165 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [0,1,0,1,0,0|1,0,0]=3 1166 B12R2.24 OC1=CC2=C(C=C1)CCCN2 H50029 [0,1,0,1,0,0|1,0,0]=3 1167 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T38163 [0,1,0,1,0,0|1,0,0]=3 1168 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T67068 [0,1,0,1,0,0|1,0,0]=3 1169 B12R2.24 OC1=CC2=C(C=C1)NCCC2 H50028 [0,1,0,1,0,0|1,0,0]=3 1170 B12R2.24 OC1=CC2=C(C=C1)OCCN2 D49294 [0,1,0,1,0,0|0,0,0]=2 1171 B12R2.24 OC1=CC2=C(C=C1)OCCO2 H49092 [0,1,0,1,0,0|0,0,0]=2 1172 B12R2.24 OC1=CN=C2CCCCC2=C1 T38906 [0,1,0,1,0,0|2,0,0]=4 1173 B12R2.24 OC1=CN=C2CCNCC2=C1 T4034 [0,1,0,1,0,0|2,0,0]=4 1174 B12R2.24 [Mg+]C1=CC2=C(C=C1)OCCO2 D31785 [0,1,0,1,0,0|1,0,0]=3 1175 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [0,1,0,1,0,0|1,0,0]=3 1176 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 C48090 [0,1,0,1,0,0|1,0,1]=4 1177 B12R2.132 CC1=NOC2=C1C=C(Br)C=C2 B64889 [0,1,0,1,0,0|1,0,1]=4 1178 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 A48809 [0,1,0,1,0,0|1,0,1]=4 1179 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 B13142 [0,1,0,1,0,0|2,0,0]=4 1180 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 F52069 [0,1,0,1,0,0|2,0,0]=4 1181 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 A31037 [0,1,0,1,0,0|1,0,0]=3 1182 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 H13146 [0,1,0,1,0,0|1,0,0]=3 1183 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B13143 [0,1,0,1,0,0|2,0,0]=4 1184 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B63650 [0,1,0,1,0,0|2,0,0]=4 1185 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C49778 [0,1,0,1,0,0|2,0,0]=4 1186 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C63653 [0,1,0,1,0,0|2,0,0]=4 1187 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52065 [0,1,0,1,0,0|2,0,0]=4 1188 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52067 [0,1,0,1,0,0|2,0,0]=4 1189 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 H13147 [0,1,0,1,0,0|1,0,0]=3 1190 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 C49041 [0,1,0,1,0,0|1,0,0]=3 1191 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 H51556 [0,1,0,1,0,0|1,0,1]=4 1192 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 B24181 [0,1,0,1,0,0|1,0,1]=4 1193 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 B52030 [0,1,0,1,0,0|2,0,0]=4 1194 B12R2.294 BrC1=CN=C(OC2CC2)C=C1 B32064 [0,1,0,1,0,0|2,0,0]=4 1195 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 B8588 [0,1,0,1,0,0|2,0,0]=4 1196 B12R2.2302 NC1=CC=C(C2COC2)C=C1 X17674 [0,1,0,1,0,0|2,0,0]=4 1197 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 M24189 [0,1,0,1,0,0|1,0,1]=4 1198 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 M63165 [0,1,0,1,0,0|1,0,1]=4 1199 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 D51756 [0,1,0,1,0,0|1,0,1]=4 1200 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 M18691 [0,1,0,1,0,0|1,0,1]=4 1201 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 B38129 [0,1,0,1,0,0|1,0,1]=4 1202 B12R2.606 CC1=NC2=C(C=CC(F)=C2)O1 F48105 [0,1,0,1,0,0|1,0,1]=4 1203 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 M61203 [0,1,0,1,0,0|1,0,1]=4 1204 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 M48808 [0,1,0,1,0,0|1,0,1]=4 1205 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 M38254 [0,1,0,1,0,0|0,0,1]=3 1206 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 F38745 [0,1,0,1,0,0|2,0,0]=4 1207 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 A48458 [0,1,0,1,0,0|1,0,1]=4 1208 B12R2.606 N[C@H]1CC2=C(C=C(Br)C=C2)C1 B67543 [0,1,0,1,0,0|2,0,0]=4 1209 B12R2.606 O[C@H]1CC2=C(C=C(Br)C=C2)C1 B52018 [0,1,0,1,0,0|2,0,0]=4 1210 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 B23185 [0,1,0,1,0,0|2,0,0]=4 1211 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 C49770 [0,1,0,1,0,0|2,0,0]=4 1212 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 C60522 [0,1,0,1,0,0|2,0,0]=4 1213 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 F69407 [0,1,0,1,0,0|2,0,0]=4 1214 B12R2.290 OC1(C2=CC=C(Br)C=C2)CC1 B52027 [0,1,0,1,0,0|2,0,0]=4 1215 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [0,1,0,1,0,0|2,0,0]=4 1216 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [0,1,0,1,0,0|2,0,0]=4 1217 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 A3834 [0,1,0,1,0,0|2,0,0]=4 1218 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 B38120 [0,1,0,1,0,0|2,0,0]=4 1219 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 C49774 [0,1,0,1,0,0|2,0,0]=4 1220 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 F52068 [0,1,0,1,0,0|2,0,0]=4 1221 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B36894 [0,1,0,1,0,0|2,0,0]=4 1222 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63483 [0,1,0,1,0,0|2,0,0]=4 1223 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63647 [0,1,0,1,0,0|2,0,0]=4 1224 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63729 [0,1,0,1,0,0|2,0,0]=4 1225 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49775 [0,1,0,1,0,0|2,0,0]=4 1226 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49782 [0,1,0,1,0,0|2,0,0]=4 1227 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C69644 [0,1,0,1,0,0|2,0,0]=4 1228 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F52071 [0,1,0,1,0,0|2,0,0]=4 1229 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B23186 [0,1,0,1,0,0|2,0,0]=4 1230 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C39570 [0,1,0,1,0,0|2,0,0]=4 1231 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F51326 [0,1,0,1,0,0|2,0,0]=4 1232 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 D9498 [0,1,0,1,0,0|2,0,0]=4 1233 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 H38546 [0,1,0,1,0,0|1,0,0]=3 1234 B12R2.612 O=C1COC2=C1C=CC(O)=C2 H48209 [0,1,0,1,0,0|2,0,0]=4 1235 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 H36793 [0,1,0,1,0,0|2,0,0]=4 1236 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 H60961 [0,1,0,1,0,0|2,0,0]=4 1237 B12R2.612 OB1OCC2=C1C=CC(O)=C2 D29533 [0,1,0,1,0,0|2,0,0]=4 1238 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 B52029 [0,1,0,1,0,0|2,0,0]=4 1239 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 C52041 [0,1,0,1,0,0|2,0,0]=4 1240 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 F52046 [0,1,0,1,0,0|2,0,0]=4 1241 B12R2.246 OC1=CC(Br)=C2OC=CC2=C1 B47762 [0,1,0,1,0,0|0,0,2]=4 1242 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 C52411 [0,1,0,1,0,0|1,0,1]=4 1243 B12R2.44 C#CC1=CC2=C(C=C1)CCC2 E64447 [0,1,0,1,0,0|2,0,0]=4 1244 B12R2.44 C#CC1=CC2=C(C=C1)OCO2 E50963 [0,1,0,1,0,0|2,0,0]=4 1245 B12R2.44 COC1=CC2=C(C=C1)CCN2 M52102 [0,1,0,1,0,0|2,0,0]=4 1246 B12R2.44 COC1=CC2=C(C=C1)CNC2 M52106 [0,1,0,1,0,0|2,0,0]=4 1247 B12R2.44 COC1=CC2=C(C=C1)NCC2 M22375 [0,1,0,1,0,0|1,0,0]=3 1248 B12R2.44 COC1=CC2=C(C=C1)NCC2 M52101 [0,1,0,1,0,0|1,0,0]=3 1249 B12R2.44 COC1=CC2=C(C=CC2)C=C1 M52406 [0,1,0,1,0,0|1,0,1]=4 1250 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 M47716 [0,1,0,1,0,0|2,0,0]=4 1251 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 K52409 [0,1,0,1,0,0|1,0,1]=4 1252 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 D51558 [0,1,0,1,0,0|0,0,1]=3 1253 B12R2.44 OCC1=CC2=C(C=C1)CCO2 D37247 [0,1,0,1,0,0|2,0,0]=4 1254 B12R2.44 OCC1=CC2=C(C=C1)OCC2 D65568 [0,1,0,1,0,0|0,0,0]=2 1255 B12R2.82 FC1=C(Br)C=CC2=C1CCN2 B48425 [0,1,0,1,0,0|2,0,0]=4 1256 B12R2.82 FC1=C(Br)C=CC2=C1OCO2 B44578 [0,1,0,1,0,0|2,0,0]=4 1257 B12R2.100 BrC1=C(Br)C=C2OCOC2=C1 D44564 [0,1,0,1,0,0|2,0,0]=4 1258 B12R2.100 ClC1=C(Br)C=C2OCOC2=C1 B44572 [0,1,0,1,0,0|2,0,0]=4 1259 B12R2.100 FC1=C(Br)C=C2CCNC2=C1 B48426 [0,1,0,1,0,0|2,0,0]=4 1260 B12R2.100 FC1=C(F)C=C2NCCC2=C1 D48433 [0,1,0,1,0,0|2,0,0]=4 1261 B12R2.100 NC1=C(I)C=C2OCOC2=C1 K45403 [0,1,0,1,0,0|2,0,0]=4 1262 B12R2.100 OC1=C(Br)C=C2CCCC2=C1 B52031 [0,1,0,1,0,0|1,0,0]=3 1263 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,0,0,0,1,0|2,0,0]=4 1264 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,0,1,0|2,0,0]=4 1265 B8R1.8 CCOC1=NC=CS1 E41172 [1,0,0,0,1,0|2,0,0]=4