0 B9R1.8 BrCCC1=CC=NC=C1 B46088 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.8 CC#CC1=CC=CC=C1 P68608 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.8 CCCC1=NC=CN=C1 P43598 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.8 CNCC1=CC=NC=C1 M43623 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 CNCC1=CN=CN=C1 N11436 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 CNCC1=CN=NC=C1 M12238 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 CNCC1=CN=NC=C1 M27035 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.8 CNCC1=NC=CC=N1 M14362 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.8 CNCC1=NC=CC=N1 M31227 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.8 CNCC1=NC=CN=C1 M14584 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.8 CNNC1=CC=CC=C1 M46459 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 COCC1=NC=CC=C1 M46377 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.8 IC#CC1=CC=CC=C1 I1886 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.8 N#CCC1=CN=CC=C1 P38543 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.8 N#CCC1=CN=CN=C1 P1642 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.8 N#CCC1=CN=NC=C1 P0143 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.8 N#CCC1=NC=CC=C1 P45196 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.8 N#CCC1=NC=CC=N1 P7449 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.8 N#CCC1=NC=NC=C1 P7453 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.8 N#CCC1=NN=CC=C1 P7452 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.8 N#COC1=CC=CC=C1 P44923 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.8 NCCC1=CC=CN=C1 P43605 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.8 NCCC1=NC=NC=C1 P14666 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.8 NCCC1=NC=NC=C1 P29961 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.8 NNCC1=CC=CC=C1 B6123 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.8 NNCC1=CC=CC=C1 B68081 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.8 NNCC1=CC=CN=C1 H0097 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.8 NNCC1=CC=CN=C1 H36962 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.8 NNCC1=CC=CN=N1 H13970 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.8 NNCC1=CC=NC=C1 H0096 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.8 NNCC1=CC=NC=C1 H26285 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.8 NNCC1=CN=CN=C1 H0219 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.8 NNCC1=CN=NC=C1 H12257 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.8 NNCC1=NC=CC=C1 H0098 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.8 NNCC1=NC=CC=N1 H7463 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.8 NNCC1=NC=CN=C1 H7534 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.8 NOCC1=CC=CC=C1 B68114 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.8 O=COC1=CC=CC=C1 P45508 [0,0,0,0,0,0|1,0,0]=1 43 B9R1.8 OCCC1=CC=NC=C1 H46381 [0,0,0,0,0,0|1,0,2]=3 44 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,0,0,0,0,0|1,0,2]=3 45 B9R1.8 OCCC1=NC=CN=C1 P24824 [0,0,0,0,0,0|2,0,2]=4 46 B9R1.8 ONCC1=CC=CC=C1 B36744 [0,0,0,0,0,0|1,0,1]=2 47 B9R1.8 ONCC1=CC=CC=C1 B46575 [0,0,0,0,0,0|1,0,1]=2 48 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [0,0,0,0,0,0|1,0,2]=3 49 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [0,0,0,0,0,0|1,1,1]=3 50 B9R1.8 S=C=NC1=CC=NC=C1 T64211 [0,0,0,0,0,0|2,1,1]=4 51 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,0,0,0,0,0|1,0,1]=2 53 B9R1.8 [N-]=[N+]=NC1=CN=CC=C1 A2019 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.2 BrCC1=CC=NC=C1 B36897 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 BrCC1=CN=CC=C1 B23879 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 BrCC1=CN=CN=C1 B36879 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 BrCC1=NC=CC=C1 B42841 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 BrCC1=NC=CN=C1 B36766 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 BrCC1=NC=NC=C1 B32305 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 BrCC1=NN=CC=C1 B36818 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 C#CC1=CC=CN=C1 E12479 [1,0,0,0,0,0|1,0,2]=4 62 B8R1.2 C#CC1=CC=NC=C1 E10312 [1,0,0,0,0,0|1,0,2]=4 63 B8R1.2 C#CC1=CC=NC=C1 E23238 [1,0,0,0,0,0|1,0,2]=4 64 B8R1.2 C#CC1=NC=CC=C1 E12434 [1,0,0,0,0,0|1,0,2]=4 65 B8R1.2 CCC1=NC=CN=C1 E43180 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 CNC1=CC=CN=C1 M38086 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.2 CNC1=CC=NC=C1 M68620 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 COC1=CC=NC=C1 M9391 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.2 COC1=CN=CC=C1 M67978 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.2 COC1=NC=CC=C1 M39277 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.2 ClCC1=CC=NC=C1 C68845 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.2 ClCC1=CN=CN=C1 C10228 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 ClCC1=NC=CC=C1 C67870 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.2 ClCC1=NC=CC=N1 C0153 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 ClCC1=NC=CC=N1 C40877 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 ClCC1=NC=CN=C1 C0149 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 ClCC1=NC=NC=C1 C40878 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 ClCC1=NN=CC=C1 C0156 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 NCC1=CC=CN=C1 A69257 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 NCC1=CC=CN=N1 A0031 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 NCC1=CC=CN=N1 P29569 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 NCC1=CC=NC=C1 P67743 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.2 NCC1=CN=CN=C1 P0028 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 NCC1=CN=CN=C1 P29548 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 NCC1=CN=NC=C1 A0027 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 NCC1=CN=NC=C1 P41350 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 NCC1=NC=CC=N1 A7421 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.2 NCC1=NC=CC=N1 P0030 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.2 NCC1=NC=CN=C1 P0029 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.2 NCC1=NC=CN=C1 P4303 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.2 NCC1=NC=NC=C1 A0032 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.2 NCC1=NC=NC=C1 A10198 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.2 NCC1=NC=NC=C1 P23754 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 NNC1=CC=CC=C1 P68696 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.2 NNC1=CC=CN=C1 H0043 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.2 NNC1=CC=CN=C1 H41349 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.2 NNC1=CC=NC=C1 H0042 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.2 NNC1=NC=CC=C1 H38511 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.2 NOC1=CC=CC=C1 P43533 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.2 O=CC1=CC=NC=C1 P42598 [1,0,0,0,0,0|1,0,0]=2 101 B8R1.2 O=CC1=CN=CC=C1 P13753 [1,0,0,0,0,0|1,0,0]=2 102 B8R1.2 O=CC1=CN=CN=C1 F2817 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.2 O=CC1=CN=NC=C1 P7445 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.2 O=CC1=NC=CC=C1 P67836 [1,0,0,0,0,0|1,0,0]=2 105 B8R1.2 O=CC1=NC=CC=N1 P0152 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.2 O=CC1=NC=CN=C1 P0148 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.2 O=CC1=NC=NC=C1 P40755 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.2 OCC1=CC=NC=C1 P43429 [1,0,0,0,0,0|1,0,1]=3 109 B8R1.2 OCC1=CC=NC=C1 P67894 [1,0,0,0,0,0|1,0,1]=3 110 B8R1.2 OCC1=CN=CC=C1 P15946 [1,0,0,0,0,0|1,0,1]=3 111 B8R1.2 OCC1=CN=CN=C1 P0145 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.2 OCC1=NC=CC=C1 P69303 [1,0,0,0,0,0|1,0,1]=3 113 B8R1.2 OCC1=NC=CC=N1 P0151 [1,0,0,0,0,0|2,0,1]=4 114 B8R1.2 OCC1=NC=CN=C1 P0147 [1,0,0,0,0,0|2,0,1]=4 115 B8R1.2 OCC1=NC=NC=C1 P0160 [1,0,0,0,0,0|2,0,1]=4 116 B8R1.2 OCC1=NN=CC=C1 P0155 [1,0,0,0,0,0|2,0,1]=4 117 B8R1.2 ONC1=CC=CC=C1 P67873 [1,0,0,0,0,0|1,0,1]=3 118 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [0,1,0,0,0,0|1,0,1]=3 119 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [0,1,0,0,0,0|1,0,1]=3 120 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [0,1,0,0,0,0|0,0,2]=3 121 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.1 CC1=CN=C(CC#N)C=C1 M48792 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [0,1,0,0,0,0|1,0,2]=4 125 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.1 ClC1=CC=C(C#CI)C=C1 C1891 [0,1,0,0,0,0|1,0,2]=4 141 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.1 FC1=CC=C(C#CI)C=C1 F1901 [0,1,0,0,0,0|1,0,2]=4 143 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [0,1,0,0,0,0|1,0,1]=3 146 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [0,1,0,0,0,0|1,0,1]=3 147 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [0,1,0,0,0,0|1,0,1]=3 148 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [0,1,0,0,0,0|1,0,1]=3 149 B10R1.1 N#CCC1=CN=C(Cl)C=C1 C44776 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.1 N#CCC1=NC=C(Br)C=C1 B10483 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.1 N#CCC1=NC=C(Cl)C=C1 C44783 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.1 N#CCC1=NC=C(N)C=C1 A61010 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [0,1,0,0,0,0|1,0,1]=3 155 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [0,1,0,0,0,0|0,0,0]=1 164 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [0,1,0,0,0,0|0,0,0]=1 165 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [0,1,0,0,0,0|1,0,1]=3 166 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [0,1,0,0,0,0|0,0,2]=3 167 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [0,1,0,0,0,0|0,0,2]=3 168 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [0,1,0,0,0,0|0,0,2]=3 169 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [0,1,0,0,0,0|0,0,2]=3 170 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [0,1,0,0,0,0|1,0,2]=4 171 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [0,1,0,0,0,0|1,0,2]=4 172 B10R1.1 ON=CC1=CC=C(O)C=C1 H45817 [0,1,0,0,0,0|1,0,2]=4 173 B10R1.1 O\N=C\C1=CC=C(F)C=C1 F64667 [0,1,0,0,0,0|1,0,2]=4 174 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [0,1,0,0,0,0|1,0,1]=3 175 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [0,1,0,0,0,0|1,0,1]=3 176 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [0,1,0,0,0,0|0,0,2]=3 177 B10R1.4 CC1=C(N=C=S)C=CC=C1 M60893 [0,1,0,0,0,0|1,1,1]=4 178 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [0,1,0,0,0,0|1,0,1]=3 187 B10R1.4 N#CCC1=C(Br)C=CC=N1 B14101 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.4 N#CCC1=C(Br)C=NC=C1 B44760 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [0,1,0,0,0,0|1,0,1]=3 190 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [0,1,0,0,0,0|1,0,1]=3 191 B10R1.4 N#CCC1=C(F)C=CC=N1 F44800 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.4 N#CCC1=CC=CN=C1Br B44759 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.4 N#CCC1=CC=CN=C1Cl C0579 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.4 N#CCC1=NC=CC=C1N A37153 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [0,1,0,0,0,0|0,0,2]=3 198 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [0,1,0,0,0,0|1,0,1]=3 201 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [0,1,0,0,0,0|1,0,1]=3 202 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [0,1,0,0,0,0|0,0,2]=3 209 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [0,1,0,0,0,0|0,0,2]=3 210 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [0,1,0,0,0,0|0,0,2]=3 211 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [0,1,0,0,0,0|0,0,2]=3 212 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [0,1,0,0,0,0|1,0,1]=3 213 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [0,1,0,0,0,0|1,0,1]=3 214 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [0,1,0,0,0,0|1,0,1]=3 215 B10R1.10 CC1=NC=CC(CC#N)=C1 M29959 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.10 CNCC1=CC(Br)=CN=C1 B46290 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.10 CNCC1=NC=CC(Cl)=C1 C46305 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [0,1,0,0,0,0|1,0,1]=3 227 B10R1.10 N#CCC1=CC(Br)=CN=C1 B10466 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.10 N#CCC1=CC(F)=CN=C1 F12036 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [0,1,0,0,0,0|1,0,1]=3 231 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [0,1,0,0,0,0|1,0,1]=3 232 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [0,1,0,0,0,0|1,0,1]=3 233 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [0,1,0,0,0,0|1,0,1]=3 234 B10R1.10 N#CCC1=NC=CC(F)=C1 F44801 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [0,1,0,0,0,0|1,0,1]=3 237 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [0,1,0,0,0,0|1,0,1]=3 238 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [0,1,0,0,0,0|1,0,1]=3 239 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [0,1,0,0,0,0|1,0,1]=3 242 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [0,1,0,0,0,0|0,0,2]=3 249 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [0,1,0,0,0,0|1,0,2]=4 250 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [0,1,0,0,0,0|0,0,2]=3 251 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [0,1,0,0,0,0|0,0,2]=3 252 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [0,1,0,0,0,0|1,0,1]=3 253 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [0,1,0,0,0,0|1,0,1]=3 254 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,1,0,0,0,0|1,0,2]=4 255 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,1,0,0,0,0|1,0,1]=3 257 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,1,0,0,0,0|1,0,1]=3 263 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,1,0,0,0,0|1,0,1]=3 264 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,1,0,0,0,0|1,0,1]=3 265 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [0,1,0,0,0,0|1,0,1]=3 266 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [0,1,0,0,0,0|1,0,1]=3 267 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,1,0,0,0,0|1,0,1]=3 268 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,1,0,0,0,0|1,0,1]=3 270 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,1,0,0,0,0|2,0,1]=4 271 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [0,1,0,0,0,0|0,0,2]=3 273 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [0,1,0,0,0,0|0,0,2]=3 274 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [0,1,0,0,0,0|0,0,2]=3 275 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,1,0,0,0,0|0,0,3]=4 276 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [0,1,0,0,0,0|0,0,1]=2 277 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [0,1,0,0,0,0|0,0,2]=3 278 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [0,1,0,0,0,0|0,0,2]=3 279 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [0,1,0,0,0,0|1,0,1]=3 280 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,1,0,0,0,0|1,0,1]=3 281 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [0,1,0,0,0,0|1,0,1]=3 282 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [0,1,0,0,0,0|1,0,1]=3 283 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.17 C=COCC1=CC=CC=C1 B26636 [0,1,0,0,0,0|1,0,0]=2 285 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,1,0,0,0,0|1,0,1]=3 288 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,1,0,0,0,0|1,0,1]=3 289 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,1,0,0,0,0|2,0,1]=4 290 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,1,0,0,0,0|1,0,1]=3 291 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [0,1,0,0,0,0|1,0,2]=4 293 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [0,1,0,0,0,0|1,0,1]=3 294 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [0,1,0,0,0,0|1,0,1]=3 295 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [0,1,0,0,0,0|1,0,1]=3 296 B10R1.17 NCCCC1=CC=NC=C1 P46966 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.17 NCCNC1=CC=CC=C1 P61733 [0,1,0,0,0,0|1,0,1]=3 298 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,1,0,0,0,0|1,0,1]=3 299 B10R1.17 NCCOC1=CC=NC=C1 P46588 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [0,1,0,0,0,0|0,0,1]=2 302 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [0,1,0,0,0,0|0,0,3]=4 303 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,1,0,0,0,0|1,0,2]=4 304 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,1,0,0,0,0|1,0,2]=4 305 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,1,0,0,0,0|1,0,2]=4 306 B10R1.17 OCCSC1=NC=CC=C1 P46439 [0,1,0,0,0,0|1,0,2]=4 307 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,1,0,0,0,0|1,0,1]=3 308 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.17 [N-]=[N+]=NCC1=NC=CC=C1 A8446 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,1,0,0,0,0|1,0,0]=2 311 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,1,0,0,0,0|1,0,0]=2 312 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.18 CC(=O)NC1=NC=CC=N1 P43093 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,1,0,0,0,0|1,0,1]=3 316 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,1,0,0,0,0|1,0,0]=2 319 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,1,0,0,0,0|0,0,0]=1 321 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,1,0,0,0,0|1,0,0]=2 322 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.18 NC(=O)NC1=NC=CN=C1 P41097 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,1,0,0,0,0|1,0,0]=2 325 B10R1.18 NC(=S)NC1=NC=CC=C1 P43125 [0,1,0,0,0,0|2,1,0]=4 326 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,1,0,0,0,0|1,0,0]=2 327 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,1,0,0,0,0|1,0,0]=2 328 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,1,0,0,0,0|1,0,0]=2 331 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,1,0,0,0,0|1,0,0]=2 332 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.18 O=C([O-])CC1=CN=NC=C1 P10226 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.18 O=C([O-])CC1=NC=CC=N1 P7450 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.18 O=C([O-])CC1=NN=CC=C1 P27036 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [0,1,0,0,0,0|1,1,0]=3 340 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [0,0,0,1,0,0|0,0,2]=3 341 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [0,0,0,1,0,0|0,0,2]=3 342 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [0,0,0,1,0,0|2,0,0]=3 343 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [0,0,0,1,0,0|2,0,0]=3 344 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [0,0,0,1,0,0|2,0,1]=4 345 B10R2.7 C1=CC2=C(C=C1)NN=N2 B38421 [0,0,0,1,0,0|3,0,0]=4 346 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [0,0,0,1,0,0|1,0,1]=3 347 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [0,0,0,1,0,0|0,0,2]=3 348 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [0,0,0,1,0,0|1,0,2]=4 349 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [0,0,0,1,0,0|1,1,0]=3 350 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [0,0,0,1,0,0|1,1,1]=4 351 B10R2.7 C1=CC2=C(C=CN2)C=N1 A3184 [0,0,0,1,0,0|2,0,1]=4 352 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [0,0,0,1,0,0|1,0,2]=4 353 B10R2.7 C1=CC2=C(C=CS2)N=C1 T14110 [0,0,0,1,0,0|1,1,1]=4 354 B10R2.7 C1=CC2=C(C=N1)CNC2 D3869 [0,0,0,1,0,0|3,0,0]=4 355 B10R2.7 C1=CC2=C(C=N1)COC2 D46549 [0,0,0,1,0,0|3,0,0]=4 356 B10R2.7 C1=CC2=C(C=N1)N=CN2 I10244 [0,0,0,1,0,0|3,0,0]=4 357 B10R2.7 C1=CC2=C(C=N1)N=CO2 X42084 [0,0,0,1,0,0|2,0,1]=4 358 B10R2.7 C1=CC2=C(C=N1)N=CS2 T9784 [0,0,0,1,0,0|2,1,0]=4 359 B10R2.7 C1=CC2=C(C=N1)NC=C2 A2957 [0,0,0,1,0,0|2,0,1]=4 360 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [0,0,0,1,0,0|2,0,1]=4 361 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [0,0,0,1,0,0|2,0,1]=4 362 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [0,0,0,1,0,0|1,0,2]=4 363 B10R2.7 C1=CC2=C(C=N1)SC=C2 T3035 [0,0,0,1,0,0|1,1,1]=4 364 B10R2.7 C1=CC2=C(C=N1)SC=N2 T8903 [0,0,0,1,0,0|2,1,0]=4 365 B10R2.7 C1=CC2=C(N=C1)N=CO2 X42083 [0,0,0,1,0,0|2,0,1]=4 366 B10R2.7 C1=CC2=CC=NN2C=C1 P64401 [0,0,0,1,0,0|2,0,1]=4 367 B10R2.7 C1=CC2=NC=CN2C=C1 I5954 [0,0,0,1,0,0|2,0,1]=4 368 B10R2.7 C1=CC2=NC=NN2C=C1 B3325 [0,0,0,1,0,0|3,0,0]=4 369 B10R2.7 C1=CC2=NSN=C2C=C1 B69028 [0,0,0,1,0,0|3,0,0]=4 370 B10R2.7 C1=CN=C2C=CNC2=C1 A2958 [0,0,0,1,0,0|2,0,1]=4 371 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [0,0,0,1,0,0|2,0,1]=4 372 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [0,0,0,1,0,0|3,0,0]=4 373 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [0,0,0,1,0,0|3,0,0]=4 374 B10R2.7 C1=CN=C2NC=CC2=C1 A4765 [0,0,0,1,0,0|2,0,1]=4 375 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [0,0,0,1,0,0|2,0,1]=4 376 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [0,0,0,1,0,0|2,0,1]=4 377 B10R2.7 C1=CN=C2OC=NC2=C1 X42085 [0,0,0,1,0,0|2,0,1]=4 378 B10R2.7 C1=CN=C2SC=CC2=C1 T67796 [0,0,0,1,0,0|1,1,1]=4 379 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [0,0,0,1,0,0|1,0,1]=3 380 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [0,0,0,1,0,0|0,0,0]=1 381 B8R1.8 CCCC1=CC=CS1 P43744 [0,0,0,0,1,0|2,0,1]=4 382 B8R1.8 CNCC1=CC=CS1 M43398 [0,0,0,0,1,0|3,0,0]=4 383 B8R1.8 CNCC1=CSC=C1 M43396 [0,0,0,0,1,0|3,0,0]=4 384 B8R1.8 N#CCC1=CC=CS1 T39260 [0,0,0,0,1,0|2,0,1]=4 385 B8R1.8 N#CCC1=CSC=C1 T12833 [0,0,0,0,1,0|2,0,1]=4 386 B8R1.8 NCCC1=CC=CS1 T12818 [0,0,0,0,1,0|2,0,1]=4 387 B8R1.8 NCCC1=CSC=C1 T1049 [0,0,0,0,1,0|2,0,1]=4 388 B8R1.8 NCCC1=CSC=C1 T10491 [0,0,0,0,1,0|2,0,1]=4 389 B8R1.8 NCCN1C=CC=C1 P41427 [0,0,0,0,1,0|2,0,1]=4 390 B8R1.8 NNCC1=CC=CS1 H13973 [0,0,0,0,1,0|3,0,0]=4 391 B8R1.8 NNCC1=CSC=C1 H13972 [0,0,0,0,1,0|3,0,0]=4 392 B8R1.8 OCCC1=CC=CS1 T12817 [0,0,0,0,1,0|1,0,2]=4 393 B8R1.8 OCCC1=CSC=C1 T12832 [0,0,0,0,1,0|1,0,2]=4 394 B7R1.3 BrC1=CC=NC=C1 B2747 [2,0,0,0,0,0|2,0,0]=4 395 B7R1.3 BrC1=CC=NC=C1 B65041 [2,0,0,0,0,0|2,0,0]=4 396 B7R1.3 BrC1=CN=CC=C1 B2746 [2,0,0,0,0,0|2,0,0]=4 397 B7R1.3 CC1=CC=CN=N1 M0216 [2,0,0,0,0,0|2,0,0]=4 398 B7R1.3 CC1=CN=CN=C1 M41018 [2,0,0,0,0,0|2,0,0]=4 399 B7R1.3 CC1=CN=NC=C1 M3532 [2,0,0,0,0,0|2,0,0]=4 400 B7R1.3 CC1=NC=CC=N1 M68916 [2,0,0,0,0,0|2,0,0]=4 401 B7R1.3 CC1=NC=CN=C1 M61917 [2,0,0,0,0,0|2,0,0]=4 402 B7R1.3 CC1=NC=NC=C1 M7491 [2,0,0,0,0,0|2,0,0]=4 403 B7R1.3 C[N+]1=CC=CC=C1 M38728 [2,0,0,0,0,0|1,0,0]=3 404 B7R1.3 ClC1=CC=NC=C1 C39170 [2,0,0,0,0,0|2,0,0]=4 405 B7R1.3 ClC1=CN=CC=C1 C68367 [2,0,0,0,0,0|2,0,0]=4 406 B7R1.3 FC1=CC=NC=C1 F2970 [2,0,0,0,0,0|2,0,0]=4 407 B7R1.3 FC1=CN=CC=C1 F1892 [2,0,0,0,0,0|2,0,0]=4 408 B7R1.3 FC1=NC=CC=C1 F4862 [2,0,0,0,0,0|2,0,0]=4 409 B7R1.3 IC1=CC=CC=C1 I38419 [2,0,0,0,0,0|1,0,0]=3 410 B7R1.3 IC1=CC=NC=C1 I3870 [2,0,0,0,0,0|2,0,0]=4 411 B7R1.3 IC1=CN=CC=C1 I16635 [2,0,0,0,0,0|2,0,0]=4 412 B7R1.3 IC1=NC=CC=C1 K67594 [2,0,0,0,0,0|2,0,0]=4 413 B7R1.3 NC1=NC=CC=C1 A23973 [2,0,0,0,0,0|2,0,0]=4 414 B7R1.3 O=C1C=CC=NN1 P5932 [2,0,0,0,0,0|2,0,0]=4 415 B7R1.3 O=C1C=CN=CN1 P0246 [2,0,0,0,0,0|2,0,0]=4 416 B7R1.3 O=C1C=COC=C1 P40862 [2,0,0,0,0,0|1,0,0]=3 417 B7R1.3 O=C1C=NC=CN1 H68630 [2,0,0,0,0,0|2,0,0]=4 418 B7R1.3 O=C1N=CC=CN1 P67458 [2,0,0,0,0,0|2,0,0]=4 419 B7R1.3 OC1=CC=NC=C1 H10331 [2,0,0,0,0,0|1,0,1]=4 420 B7R1.3 OC1=NC=CC=C1 P61113 [2,0,0,0,0,0|1,0,1]=4 421 B7R1.3 [Mg+]C1=CC=CC=C1 P31728 [2,0,0,0,0,0|1,0,0]=3 422 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [2,0,0,0,0,0|2,0,0]=4 423 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.1 C#CC1=CC=C(Br)C=C1 B47528 [1,1,0,0,0,0|0,0,2]=4 427 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [1,1,0,0,0,0|0,0,2]=4 428 B9R1.1 C#CC1=CC=C(Cl)C=C1 C4938 [1,1,0,0,0,0|0,0,2]=4 429 B9R1.1 C#CC1=CC=C(F)C=C1 F2891 [1,1,0,0,0,0|0,0,2]=4 430 B9R1.1 C#CC1=CC=C(N)C=C1 E37919 [1,1,0,0,0,0|0,0,2]=4 431 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [1,1,0,0,0,0|0,0,1]=3 432 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [1,1,0,0,0,0|0,0,1]=3 433 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [1,1,0,0,0,0|1,0,1]=4 434 B9R1.1 C=CC1=CN=C(F)C=C1 E16703 [1,1,0,0,0,0|1,0,1]=4 435 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [1,1,0,0,0,0|0,0,0]=2 436 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [1,1,0,0,0,0|0,0,1]=3 438 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.1 CC1=CN=C(C=O)N=C1 M11474 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.1 CC1=NC=C(C=O)C=N1 M12382 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [1,1,0,0,0,0|1,0,1]=4 451 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [1,1,0,0,0,0|0,0,1]=3 452 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [1,1,0,0,0,0|0,0,1]=3 453 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [1,1,0,0,0,0|0,0,1]=3 454 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [1,1,0,0,0,0|0,0,1]=3 455 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,1,0,0,0,0|1,0,1]=4 456 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,1,0,0,0,0|1,0,1]=4 457 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,1,0,0,0,0|1,0,1]=4 458 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,1,0,0,0,0|1,0,1]=4 459 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,1,0,0,0,0|1,0,1]=4 460 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [1,1,0,0,0,0|1,0,1]=4 461 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [1,1,0,0,0,0|1,0,1]=4 462 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [1,1,0,0,0,0|1,0,1]=4 463 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [1,1,0,0,0,0|1,0,1]=4 464 B9R1.1 COC1=CC=C(S)C=C1 M46276 [1,1,0,0,0,0|1,0,1]=4 465 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [1,1,0,0,0,0|1,0,1]=4 467 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [1,1,0,0,0,0|1,0,1]=4 469 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [1,1,0,0,0,0|1,0,0]=3 472 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.1 N#CC1=CC=C(Br)C=C1 B67636 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.1 N#CC1=CC=C(Cl)C=C1 C37848 [1,1,0,0,0,0|1,0,1]=4 484 B9R1.1 N#CC1=CC=C(F)C=C1 F64969 [1,1,0,0,0,0|1,0,1]=4 485 B9R1.1 N#CC1=CC=C(I)C=C1 K44443 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.1 N#CC1=CC=C(N)C=C1 A64955 [1,1,0,0,0,0|1,0,1]=4 487 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [1,1,0,0,0,0|1,0,1]=4 488 B9R1.1 N#CC1=CC=C(S)C=C1 M64870 [1,1,0,0,0,0|1,0,1]=4 489 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [1,1,0,0,0,0|0,0,1]=3 490 B9R1.1 NC1=CN=C(C=O)C=N1 A63812 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.1 NC1=NC=C(C=O)C=C1 A12393 [1,1,0,0,0,0|1,0,0]=3 492 B9R1.1 NC1=NC=C(C=O)C=C1 A43519 [1,1,0,0,0,0|1,0,0]=3 493 B9R1.1 NC1=NC=C(C=O)C=N1 A3982 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.1 NC1=NC=C(C=O)C=N1 A40961 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [1,1,0,0,0,0|1,0,1]=4 496 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [1,1,0,0,0,0|1,0,0]=3 497 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [1,1,0,0,0,0|1,0,0]=3 498 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [1,1,0,0,0,0|1,0,0]=3 499 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [1,1,0,0,0,0|1,0,0]=3 501 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [1,1,0,0,0,0|1,0,0]=3 502 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.1 NCC1=CNC(=O)C=C1 A1719 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.1 NNC1=CC=C(Br)C=C1 B42962 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.1 NNC1=CC=C(Br)C=C1 B42980 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.1 NNC1=CC=C(Cl)C=C1 C61981 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.1 NNC1=CC=C(Cl)C=C1 C68982 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.1 NNC1=CC=C(F)C=C1 F25536 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.1 NNC1=CC=C(I)C=C1 K43029 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [1,1,0,0,0,0|0,0,0]=2 521 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [1,1,0,0,0,0|0,0,0]=2 522 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [1,1,0,0,0,0|0,0,0]=2 523 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [1,1,0,0,0,0|0,0,0]=2 524 B9R1.1 O=CC1=CN=C(Br)C=C1 B2834 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.1 O=CC1=CN=C(Cl)C=C1 C3215 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.1 O=CC1=CN=C(Cl)C=N1 C12389 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.1 O=CC1=CN=C(Cl)N=C1 C0338 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.1 O=CC1=CN=C(F)C=C1 F13991 [1,1,0,0,0,0|1,0,0]=3 529 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [1,1,0,0,0,0|1,0,0]=3 530 B9R1.1 O=CC1=CNC(=O)N=C1 X63767 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.1 O=CC1=NC=C(Br)C=C1 B1678 [1,1,0,0,0,0|1,0,0]=3 532 B9R1.1 O=CC1=NC=C(Cl)C=C1 C5623 [1,1,0,0,0,0|1,0,0]=3 533 B9R1.1 O=CC1=NC=C(F)C=N1 F11271 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.1 O=CC1=NN=C(Cl)C=C1 C9432 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.1 O=CC1=NNC(=O)C=C1 X3635 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [1,1,0,0,0,0|0,0,1]=3 538 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [1,1,0,0,0,0|0,0,1]=3 539 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [1,1,0,0,0,0|0,0,1]=3 540 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [1,1,0,0,0,0|0,0,1]=3 541 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [1,1,0,0,0,0|1,0,1]=4 542 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [1,1,0,0,0,0|1,0,1]=4 543 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [1,1,0,0,0,0|1,0,1]=4 544 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [1,1,0,0,0,0|1,0,1]=4 545 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [1,1,0,0,0,0|1,0,1]=4 546 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [1,1,0,0,0,0|1,0,1]=4 547 B9R1.2 BrCC1=CC(Br)=NC=C1 B36914 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.2 BrCC1=CC(Br)=NC=C1 B42520 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [1,1,0,0,0,0|1,0,0]=3 552 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [1,1,0,0,0,0|0,0,2]=4 553 B9R1.2 C#CC1=CC=CC(Br)=C1 B47527 [1,1,0,0,0,0|0,0,2]=4 554 B9R1.2 C#CC1=CC=CC(Cl)=C1 C25303 [1,1,0,0,0,0|0,0,2]=4 555 B9R1.2 C#CC1=CC=CC(F)=C1 F47538 [1,1,0,0,0,0|0,0,2]=4 556 B9R1.2 C#CC1=CC=CC(N)=C1 E48307 [1,1,0,0,0,0|0,0,2]=4 557 B9R1.2 C#CC1=CC=CC(N)=C1 E49598 [1,1,0,0,0,0|0,0,2]=4 558 B9R1.2 C#CC1=CC=CC(O)=C1 E37627 [1,1,0,0,0,0|0,0,2]=4 559 B9R1.2 C=CC1=CC(Br)=CN=C1 B38372 [1,1,0,0,0,0|1,0,1]=4 560 B9R1.2 C=CC1=CC(F)=CN=C1 E16704 [1,1,0,0,0,0|1,0,1]=4 561 B9R1.2 C=CC1=CC=CC(Br)=C1 B36635 [1,1,0,0,0,0|0,0,1]=3 562 B9R1.2 C=CC1=CC=CC(N)=C1 V49171 [1,1,0,0,0,0|0,0,1]=3 563 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [1,1,0,0,0,0|1,0,1]=4 564 B9R1.2 C=CC1=NC=CC(Br)=C1 B36792 [1,1,0,0,0,0|1,0,1]=4 565 B9R1.2 C=CC1=NC=CC(Cl)=C1 C45320 [1,1,0,0,0,0|1,0,1]=4 566 B9R1.2 C=CC1=NC=CC(N)=C1 V45970 [1,1,0,0,0,0|1,0,1]=4 567 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [1,1,0,0,0,0|1,0,1]=4 574 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [1,1,0,0,0,0|1,0,1]=4 575 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [1,1,0,0,0,0|1,0,0]=3 586 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [1,1,0,0,0,0|1,0,1]=4 590 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [1,1,0,0,0,0|1,0,1]=4 592 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [1,1,0,0,0,0|0,0,1]=3 593 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [1,1,0,0,0,0|1,0,1]=4 594 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [1,1,0,0,0,0|0,0,1]=3 595 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [1,1,0,0,0,0|1,0,1]=4 596 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [1,1,0,0,0,0|0,0,1]=3 597 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [1,1,0,0,0,0|1,0,1]=4 599 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [1,1,0,0,0,0|1,0,1]=4 600 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [1,1,0,0,0,0|1,0,1]=4 601 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.2 COC1=CC(O)=CC=C1 M27960 [1,1,0,0,0,0|1,0,1]=4 604 B9R1.2 COC1=CC=CC(F)=C1 F45965 [1,1,0,0,0,0|1,0,1]=4 605 B9R1.2 COC1=CC=CC(I)=C1 K45966 [1,1,0,0,0,0|1,0,1]=4 606 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [1,1,0,0,0,0|1,0,1]=4 608 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [1,1,0,0,0,0|1,0,1]=4 609 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.2 ClC1=NC=CC(CBr)=C1 B42538 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.2 ClCC1=CC(Cl)=NC=C1 C12077 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [1,1,0,0,0,0|1,0,0]=3 615 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [1,1,0,0,0,0|1,0,0]=3 618 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [1,1,0,0,0,0|1,0,0]=3 622 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.2 N#CC1=CC=CC(Br)=C1 B67572 [1,1,0,0,0,0|1,0,1]=4 625 B9R1.2 N#CC1=CC=CC(Cl)=C1 C39326 [1,1,0,0,0,0|1,0,1]=4 626 B9R1.2 N#CC1=CC=CC(F)=C1 F39329 [1,1,0,0,0,0|1,0,1]=4 627 B9R1.2 N#CC1=CC=CC(I)=C1 K44442 [1,1,0,0,0,0|1,0,1]=4 628 B9R1.2 N#CC1=CC=CC(O)=C1 H64947 [1,1,0,0,0,0|1,0,1]=4 629 B9R1.2 NC1=CC(C=O)=NC=C1 A37575 [1,1,0,0,0,0|1,0,0]=3 630 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [1,1,0,0,0,0|1,0,1]=4 631 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [1,1,0,0,0,0|1,0,1]=4 632 B9R1.2 NC1=CC=CC(C=O)=C1 A46548 [1,1,0,0,0,0|0,0,0]=2 633 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [1,1,0,0,0,0|0,0,1]=3 634 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [1,1,0,0,0,0|1,0,1]=4 635 B9R1.2 NC1=NC=CC(CO)=C1 A10460 [1,1,0,0,0,0|1,0,1]=4 636 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.2 NCC1=CC(Br)=NC=C1 B25759 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.2 NCC1=CC(Cl)=NC=C1 A10467 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.2 NCC1=CC(Cl)=NC=C1 C30000 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.2 NCC1=CC(F)=NC=C1 F43572 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.2 NCC1=CC(F)=NC=C1 F61414 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.2 NCC1=CC(N)=NC=C1 A43343 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [1,1,0,0,0,0|1,0,0]=3 647 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [1,1,0,0,0,0|1,0,0]=3 649 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.2 NNC1=CC=CC(Br)=C1 B42979 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.2 NNC1=CC=CC(F)=C1 F43527 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.2 O=C1C=C(CO)C=CN1 H0460 [1,1,0,0,0,0|1,0,1]=4 658 B9R1.2 O=C1C=CC=C(CO)N1 H23237 [1,1,0,0,0,0|1,0,1]=4 659 B9R1.2 O=CC1=CC(Br)=CN=C1 B3012 [1,1,0,0,0,0|1,0,0]=3 660 B9R1.2 O=CC1=CC(Br)=NC=C1 B2598 [1,1,0,0,0,0|1,0,0]=3 661 B9R1.2 O=CC1=CC(Br)=NC=N1 B40605 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.2 O=CC1=CC(Cl)=CN=C1 C15036 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.2 O=CC1=CC(Cl)=NC=C1 C0408 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.2 O=CC1=CC(F)=CN=C1 F15543 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.2 O=CC1=CC(F)=NC=C1 F2753 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [1,1,0,0,0,0|0,0,0]=2 667 B9R1.2 O=CC1=CC(O)=NC=C1 H42599 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.2 O=CC1=CC=CC(Br)=C1 B68146 [1,1,0,0,0,0|0,0,0]=2 669 B9R1.2 O=CC1=CC=CC(Br)=N1 B0253 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.2 O=CC1=CC=CC(Cl)=C1 C69283 [1,1,0,0,0,0|0,0,0]=2 671 B9R1.2 O=CC1=CC=CC(Cl)=N1 C42296 [1,1,0,0,0,0|1,0,0]=3 672 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [1,1,0,0,0,0|0,0,0]=2 673 B9R1.2 O=CC1=CC=CC(F)=N1 F42303 [1,1,0,0,0,0|1,0,0]=3 674 B9R1.2 O=CC1=CC=CC(I)=C1 K45152 [1,1,0,0,0,0|0,0,0]=2 675 B9R1.2 O=CC1=CC=NC(Cl)=N1 C14545 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.2 O=CC1=CN=CC(Cl)=N1 C14597 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.2 O=CC1=CN=CC(O)=C1 H37579 [1,1,0,0,0,0|1,0,0]=3 678 B9R1.2 O=CC1=NC=CC(Br)=C1 B15000 [1,1,0,0,0,0|1,0,0]=3 679 B9R1.2 O=CC1=NC=CC(Cl)=C1 C10313 [1,1,0,0,0,0|1,0,0]=3 680 B9R1.2 O=CC1=NC=CC(F)=C1 F16335 [1,1,0,0,0,0|1,0,0]=3 681 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [1,1,0,0,0,0|1,0,0]=3 682 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.2 OCC1=CC(Br)=NC=C1 B42880 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.2 OCC1=CC(Cl)=NC=C1 C12733 [1,1,0,0,0,0|1,0,1]=4 686 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [1,1,0,0,0,0|1,0,1]=4 688 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [1,1,0,0,0,0|1,0,1]=4 689 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [1,1,0,0,0,0|0,0,1]=3 690 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [1,1,0,0,0,0|1,0,1]=4 691 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [1,1,0,0,0,0|0,0,1]=3 693 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [1,1,0,0,0,0|1,0,1]=4 694 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [1,1,0,0,0,0|0,0,1]=3 695 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [1,1,0,0,0,0|1,0,1]=4 696 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [1,1,0,0,0,0|1,0,1]=4 698 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,1,0,0,0,0|1,0,1]=4 705 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [1,1,0,0,0,0|0,0,1]=3 706 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,1,0,0,0,0|1,0,1]=4 707 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [1,1,0,0,0,0|1,0,1]=4 708 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [1,1,0,0,0,0|1,0,1]=4 709 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,1,0,0,0,0|1,0,1]=4 710 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,1,0,0,0,0|1,0,1]=4 711 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [1,1,0,0,0,0|0,0,1]=3 712 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [1,1,0,0,0,0|1,0,1]=4 713 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,1,0,0,0,0|1,0,1]=4 714 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [1,1,0,0,0,0|0,0,1]=3 715 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [1,1,0,0,0,0|0,0,1]=3 716 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,1,0,0,0,0|1,0,1]=4 717 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,1,0,0,0,0|1,0,1]=4 718 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [1,1,0,0,0,0|1,0,1]=4 721 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,1,0,0,0,0|1,0,1]=4 722 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,1,0,0,0,0|1,0,1]=4 723 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [1,1,0,0,0,0|0,0,1]=3 724 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [1,1,0,0,0,0|1,0,1]=4 725 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,1,0,0,0,0|1,0,1]=4 726 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [1,1,0,0,0,0|1,0,0]=3 727 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [1,1,0,0,0,0|1,0,0]=3 729 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.6 N=C(N)C1=CC=NC=C1 N43531 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [1,1,0,0,0,0|0,0,0]=2 734 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [1,1,0,0,0,0|1,0,0]=3 735 B9R1.6 NC(=O)C1=NC=NC=C1 P40959 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [1,1,0,0,0,0|1,0,0]=3 737 B9R1.6 O=C(Cl)C1=CN=CN=C1 P0798 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [1,1,0,0,0,0|1,0,0]=3 739 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [1,1,0,0,0,0|1,0,0]=3 742 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [1,1,0,0,0,0|1,0,0]=3 747 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [1,1,0,0,0,0|1,0,0]=3 749 B9R1.15 C#CC1=C(Br)C=CC=C1 B38613 [1,1,0,0,0,0|0,0,2]=4 750 B9R1.15 C#CC1=C(Cl)C=CC=C1 C38576 [1,1,0,0,0,0|0,0,2]=4 751 B9R1.15 C#CC1=C(F)C=CC=C1 E47539 [1,1,0,0,0,0|0,0,2]=4 752 B9R1.15 C#CC1=C(N)C=CC=C1 E24087 [1,1,0,0,0,0|0,0,2]=4 753 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [1,1,0,0,0,0|0,0,2]=4 754 B9R1.15 C=CC1=C(Br)C=CC=C1 B48296 [1,1,0,0,0,0|0,0,1]=3 755 B9R1.15 C=CC1=C(Cl)C=CC=C1 C48303 [1,1,0,0,0,0|0,0,1]=3 756 B9R1.15 C=CC1=C(N)C=CC=C1 V36733 [1,1,0,0,0,0|0,0,1]=3 757 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.15 CC1=C(C=O)C=NC=C1 M1852 [1,1,0,0,0,0|1,0,0]=3 759 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [1,1,0,0,0,0|1,0,0]=3 767 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [1,1,0,0,0,0|1,0,1]=4 769 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [1,1,0,0,0,0|1,0,1]=4 770 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.15 CC1=CC=CN=C1C=O M1872 [1,1,0,0,0,0|1,0,0]=3 772 B9R1.15 CC1=CC=CN=C1CCl C14758 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.15 CC1=CC=CN=C1CCl C46105 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.15 CC1=CC=CN=C1CN M46460 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.15 CC1=CC=CN=C1CO H46388 [1,1,0,0,0,0|1,0,1]=4 776 B9R1.15 CC1=NC=CN=C1C=O M14617 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [1,1,0,0,0,0|0,0,1]=3 778 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,1,0,0,0,0|1,0,1]=4 779 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [1,1,0,0,0,0|1,0,1]=4 780 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [1,1,0,0,0,0|1,0,1]=4 781 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [1,1,0,0,0,0|1,0,1]=4 782 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,1,0,0,0,0|0,0,1]=3 783 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [1,1,0,0,0,0|0,0,1]=3 784 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [1,1,0,0,0,0|1,0,1]=4 785 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [1,1,0,0,0,0|1,0,1]=4 786 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [1,1,0,0,0,0|1,0,1]=4 787 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [1,1,0,0,0,0|1,0,1]=4 788 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [1,1,0,0,0,0|1,0,1]=4 789 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [1,1,0,0,0,0|1,0,1]=4 790 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [1,1,0,0,0,0|1,0,1]=4 791 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [1,1,0,0,0,0|1,0,1]=4 792 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [1,1,0,0,0,0|1,0,1]=4 793 B9R1.15 COC1=C(I)C=CC=C1 K68160 [1,1,0,0,0,0|1,0,1]=4 794 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [1,1,0,0,0,0|1,0,1]=4 795 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [1,1,0,0,0,0|1,0,1]=4 796 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [1,1,0,0,0,0|1,0,0]=3 801 B9R1.15 FC1=CC=CN=C1CBr B19661 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.15 FC1=CC=CN=C1CBr B7783 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.15 FC1=CC=CN=C1CCl C13988 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.15 N#CC1=C(Br)C=CC=C1 B67862 [1,1,0,0,0,0|1,0,1]=4 805 B9R1.15 N#CC1=C(F)C=CC=C1 F68598 [1,1,0,0,0,0|1,0,1]=4 806 B9R1.15 N#CC1=C(I)C=CC=C1 K44441 [1,1,0,0,0,0|1,0,1]=4 807 B9R1.15 N#CC1=C(N)C=CC=C1 A68606 [1,1,0,0,0,0|1,0,1]=4 808 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [1,1,0,0,0,0|1,0,1]=4 809 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [1,1,0,0,0,0|0,0,0]=2 810 B9R1.15 NC1=C(C=O)C=CC=N1 A25218 [1,1,0,0,0,0|1,0,0]=3 811 B9R1.15 NC1=C(C=O)C=CN=C1 A12878 [1,1,0,0,0,0|1,0,0]=3 812 B9R1.15 NC1=C(C=O)C=NC=C1 A9624 [1,1,0,0,0,0|1,0,0]=3 813 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [1,1,0,0,0,0|0,0,1]=3 814 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [1,1,0,0,0,0|1,0,1]=4 815 B9R1.15 NC1=CC=CN=C1CO A24069 [1,1,0,0,0,0|1,0,1]=4 816 B9R1.15 NC1=NC=CN=C1C=O A0269 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [1,1,0,0,0,0|1,0,0]=3 818 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.15 NCC1=C(Br)C=NC=C1 B36920 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [1,1,0,0,0,0|1,0,0]=3 821 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [1,1,0,0,0,0|1,0,0]=3 822 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [1,1,0,0,0,0|1,0,0]=3 825 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [1,1,0,0,0,0|2,0,0]=4 826 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.15 NCC1=C(F)C=NC=C1 F9408 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [1,1,0,0,0,0|1,0,0]=3 830 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [1,1,0,0,0,0|1,0,0]=3 831 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [1,1,0,0,0,0|2,0,0]=4 833 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.15 NCC1=CC=CN=C1Cl A10464 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.15 NCC1=CC=CN=C1F F43528 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.15 NNC1=C(Br)C=CC=C1 B39273 [1,1,0,0,0,0|2,0,0]=4 837 B9R1.15 NNC1=C(Cl)C=CC=C1 C39274 [1,1,0,0,0,0|2,0,0]=4 838 B9R1.15 NNC1=C(F)C=CC=C1 F39286 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.15 NNC1=C(I)C=CC=C1 K43028 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [1,1,0,0,0,0|0,0,0]=2 841 B9R1.15 O=CC1=C(Br)C=CC=N1 B23547 [1,1,0,0,0,0|1,0,0]=3 842 B9R1.15 O=CC1=C(Br)C=NC=C1 B5403 [1,1,0,0,0,0|1,0,0]=3 843 B9R1.15 O=CC1=C(Cl)C=CC=C1 C67575 [1,1,0,0,0,0|0,0,0]=2 844 B9R1.15 O=CC1=C(Cl)C=CC=N1 C42298 [1,1,0,0,0,0|1,0,0]=3 845 B9R1.15 O=CC1=C(Cl)C=CN=C1 C4985 [1,1,0,0,0,0|1,0,0]=3 846 B9R1.15 O=CC1=C(Cl)C=NC=C1 C42297 [1,1,0,0,0,0|1,0,0]=3 847 B9R1.15 O=CC1=C(F)C=CC=C1 F68099 [1,1,0,0,0,0|0,0,0]=2 848 B9R1.15 O=CC1=C(F)C=CC=N1 F12613 [1,1,0,0,0,0|1,0,0]=3 849 B9R1.15 O=CC1=C(F)C=NC=C1 F12612 [1,1,0,0,0,0|1,0,0]=3 850 B9R1.15 O=CC1=C(I)C=CC=C1 I0665 [1,1,0,0,0,0|0,0,0]=2 851 B9R1.15 O=CC1=C(O)C=NC=C1 H67691 [1,1,0,0,0,0|1,0,0]=3 852 B9R1.15 O=CC1=CC=CN=C1Br B67403 [1,1,0,0,0,0|1,0,0]=3 853 B9R1.15 O=CC1=CC=CN=C1Cl C3459 [1,1,0,0,0,0|1,0,0]=3 854 B9R1.15 O=CC1=CC=CN=C1F F2386 [1,1,0,0,0,0|1,0,0]=3 855 B9R1.15 O=CC1=CC=CNC1=O X42600 [1,1,0,0,0,0|1,0,0]=3 856 B9R1.15 O=CC1=NC=CC=C1O H14795 [1,1,0,0,0,0|1,0,0]=3 857 B9R1.15 O=CC1=NC=CN=C1Cl C12693 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [1,1,0,0,0,0|0,0,1]=3 859 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [1,1,0,0,0,0|1,0,1]=4 860 B9R1.15 OCC1=C(Br)C=NC=C1 B9966 [1,1,0,0,0,0|1,0,1]=4 861 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [1,1,0,0,0,0|0,0,1]=3 862 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [1,1,0,0,0,0|1,0,1]=4 863 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [1,1,0,0,0,0|1,0,1]=4 864 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [1,1,0,0,0,0|1,0,1]=4 865 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [1,1,0,0,0,0|0,0,1]=3 866 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [1,1,0,0,0,0|1,0,1]=4 867 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [1,1,0,0,0,0|1,0,1]=4 868 B9R1.15 OCC1=C(F)C=NC=C1 F10404 [1,1,0,0,0,0|1,0,1]=4 869 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [1,1,0,0,0,0|0,0,1]=3 870 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [1,1,0,0,0,0|1,0,1]=4 871 B9R1.15 OCC1=CC=CN=C1Br B69414 [1,1,0,0,0,0|1,0,1]=4 872 B9R1.15 OCC1=CC=CN=C1Cl C0580 [1,1,0,0,0,0|1,0,1]=4 873 B9R1.15 OCC1=CC=CN=C1F F42930 [1,1,0,0,0,0|1,0,1]=4 874 B9R1.12 O=CC=CC1=CC=CO1 F45509 [0,1,0,0,1,0|1,0,1]=4 875 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [0,1,0,0,1,0|1,0,1]=4 876 B9R1.13 CC(=O)NC1=CSC=C1 T43173 [0,1,0,0,1,0|2,0,0]=4 877 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,1,0,0,1,0|1,0,0]=3 878 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,1,0,0,1,0|1,0,0]=3 879 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,1,0,0,1,0|1,0,0]=3 880 B9R1.13 O=C(O)CC1=CSC=C1 T12830 [0,1,0,0,1,0|1,0,0]=3 881 B9R1.13 O=C(O)CC1=NC=CN1 I38240 [0,1,0,0,1,0|2,0,0]=4 882 B9R1.13 O=C(O)CC1=NC=CS1 T15370 [0,1,0,0,1,0|2,0,0]=4 883 B9R1.13 O=C(O)CC1=NNC=C1 P41346 [0,1,0,0,1,0|2,0,0]=4 884 B9R1.13 O=C(O)CN1C=CC=N1 P41032 [0,1,0,0,1,0|2,0,0]=4 885 B9R1.13 O=C(O)CN1C=CN=C1 K41347 [0,1,0,0,1,0|2,0,0]=4 886 B9R1.13 O=C(O)CN1C=CN=C1 K68355 [0,1,0,0,1,0|2,0,0]=4 887 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [0,2,0,0,0,0|1,0,1]=4 888 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 A9118 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 T52412 [0,2,0,0,0,0|0,0,1]=3 890 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [0,2,0,0,0,0|1,0,1]=4 891 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [0,2,0,0,0,0|1,0,1]=4 892 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [0,2,0,0,0,0|1,0,1]=4 893 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [0,2,0,0,0,0|1,0,1]=4 894 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [0,2,0,0,0,0|1,0,1]=4 895 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [0,2,0,0,0,0|1,0,1]=4 896 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [0,2,0,0,0,0|0,0,2]=4 897 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [0,2,0,0,0,0|1,0,1]=4 898 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C49149 [0,2,0,0,0,0|1,0,1]=4 899 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [0,2,0,0,0,0|1,0,1]=4 900 B11R1.1 FC1=CC=C(OCCBr)C=C1 B49139 [0,2,0,0,0,0|1,0,1]=4 901 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [0,2,0,0,0,0|1,0,1]=4 902 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 C15567 [0,2,0,0,0,0|1,0,1]=4 903 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [0,2,0,0,0,0|1,0,1]=4 904 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [0,2,0,0,0,0|1,0,1]=4 905 B11R1.1 NCCOC1=CC=C(F)C=C1 F46812 [0,2,0,0,0,0|1,0,1]=4 906 B11R1.1 NCCOC1=CC=C(F)C=C1 F49512 [0,2,0,0,0,0|1,0,1]=4 907 B11R1.1 O=CC=CC1=CC=C(F)C=C1 F51323 [0,2,0,0,0,0|0,0,1]=3 908 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [0,2,0,0,0,0|0,0,0]=2 909 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [0,2,0,0,0,0|0,0,0]=2 910 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 B51314 [0,2,0,0,0,0|0,0,1]=3 911 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 C51321 [0,2,0,0,0,0|0,0,1]=3 912 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [0,2,0,0,0,0|0,0,2]=4 913 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [0,2,0,0,0,0|0,0,2]=4 914 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [0,2,0,0,0,0|0,0,2]=4 915 B11R1.1 [N-]=[N+]=NCC1=CC=C(Br)C=C1 A9122 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.1 [N-]=[N+]=NCC1=CC=C(Cl)C=C1 A9120 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.1 [N-]=[N+]=NCC1=CC=C(F)C=C1 A9119 [0,2,0,0,0,0|2,0,0]=4 918 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,2,0,0,0,0|0,0,0]=2 919 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,2,0,0,0,0|0,0,0]=2 920 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,2,0,0,0,0|0,0,0]=2 921 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 H46009 [0,2,0,0,0,0|2,0,0]=4 922 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 B45690 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 H46008 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [0,2,0,0,0,0|1,0,0]=3 925 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [0,2,0,0,0,0|0,0,0]=2 928 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 T46710 [0,2,0,0,0,0|1,1,0]=4 929 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [0,2,0,0,0,0|1,0,0]=3 930 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [0,2,0,0,0,0|1,0,0]=3 931 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [0,2,0,0,0,0|0,0,2]=4 933 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [0,2,0,0,0,0|0,0,0]=2 934 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 C45699 [0,2,0,0,0,0|1,0,0]=3 935 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 B45688 [0,2,0,0,0,0|1,0,0]=3 936 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 C37226 [0,2,0,0,0,0|1,0,0]=3 937 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 F1233 [0,2,0,0,0,0|1,1,0]=4 938 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [0,2,0,0,0,0|0,0,0]=2 939 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 F44593 [0,2,0,0,0,0|1,0,0]=3 940 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [0,2,0,0,0,0|0,0,0]=2 941 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [0,2,0,0,0,0|0,0,0]=2 942 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [0,2,0,0,0,0|0,0,0]=2 943 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 C28734 [0,2,0,0,0,0|1,0,0]=3 944 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 B12779 [0,2,0,0,0,0|1,0,0]=3 945 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 B8150 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 C15880 [0,2,0,0,0,0|1,0,0]=3 947 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 C26767 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 F15876 [0,2,0,0,0,0|1,0,0]=3 949 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 I27088 [0,2,0,0,0,0|1,0,0]=3 950 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X51560 [0,2,0,0,0,0|0,0,1]=3 951 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [0,2,0,0,0,0|0,0,2]=4 952 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [0,2,0,0,0,0|1,0,1]=4 953 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [0,2,0,0,0,0|1,0,1]=4 954 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [0,2,0,0,0,0|1,0,1]=4 955 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,2,0,0,0,0|1,0,1]=4 956 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [0,2,0,0,0,0|1,0,1]=4 957 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [0,2,0,0,0,0|1,0,1]=4 958 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [0,2,0,0,0,0|1,0,1]=4 959 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [0,2,0,0,0,0|1,0,1]=4 960 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [0,2,0,0,0,0|1,0,1]=4 961 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [0,2,0,0,0,0|2,0,0]=4 962 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [0,2,0,0,0,0|1,0,1]=4 966 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [0,2,0,0,0,0|0,0,2]=4 967 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [0,2,0,0,0,0|0,0,2]=4 968 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [0,2,0,0,0,0|0,0,2]=4 969 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [0,2,0,0,0,0|0,0,2]=4 970 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [0,2,0,0,0,0|0,0,2]=4 971 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [0,2,0,0,0,0|0,0,2]=4 972 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [0,2,0,0,0,0|0,0,2]=4 973 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [0,2,0,0,0,0|0,0,2]=4 974 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [0,2,0,0,0,0|0,0,2]=4 975 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [0,2,0,0,0,0|0,0,2]=4 976 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [0,2,0,0,0,0|0,0,2]=4 977 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [0,2,0,0,0,0|0,0,2]=4 978 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 B47769 [0,2,0,0,0,0|0,0,1]=3 979 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 C47781 [0,2,0,0,0,0|0,0,1]=3 980 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [0,2,0,0,0,0|0,0,2]=4 981 B11R1.81 CC1=CC(F)=C(CC#N)C=C1 F51461 [0,2,0,0,0,0|1,0,1]=4 982 B11R1.81 CCCC1=C(O)C=C(O)C=C1 P50281 [0,2,0,0,0,0|1,0,1]=4 983 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D1582 [0,2,0,0,0,0|2,0,0]=4 984 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D29989 [0,2,0,0,0,0|2,0,0]=4 985 B11R1.81 CNCC1=C(F)C=C(F)C=C1 D49253 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.81 COCC1=C(F)C=C(N)C=C1 F46814 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 B48298 [0,2,0,0,0,0|1,0,1]=4 988 B11R1.81 N#CCC1=C(Br)C=C(Cl)C=C1 B47665 [0,2,0,0,0,0|1,0,1]=4 989 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 B47683 [0,2,0,0,0,0|1,0,1]=4 990 B11R1.81 N#CCC1=C(Cl)C=C(F)C=C1 C47696 [0,2,0,0,0,0|1,0,1]=4 991 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 B47686 [0,2,0,0,0,0|1,0,1]=4 992 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 C60777 [0,2,0,0,0,0|1,0,1]=4 993 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 D47708 [0,2,0,0,0,0|1,0,1]=4 994 B11R1.81 NCCC1=C(F)C=C(F)C=C1 D69468 [0,2,0,0,0,0|1,0,1]=4 995 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 D12478 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 D26039 [0,2,0,0,0,0|2,0,0]=4 997 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 C12475 [0,2,0,0,0,0|2,0,0]=4 998 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 C31594 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 D45883 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.81 O=CNC1=C(Br)C=C(Br)C=N1 D42126 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.81 O=CNC1=C(Br)C=C(Cl)C=N1 B42128 [0,2,0,0,0,0|2,0,0]=4 1002 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 D49147 [0,2,0,0,0,0|0,0,2]=4 1003 B11R1.83 C#CC1=CC=C(CC#N)C=C1 E53504 [0,2,0,0,0,0|1,0,1]=4 1004 B11R1.83 C#CC1=CC=C(CCC)C=C1 E54480 [0,2,0,0,0,0|1,0,1]=4 1005 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.83 CCCC1=CC=C(C=O)C=C1 P52777 [0,2,0,0,0,0|1,0,1]=4 1007 B11R1.83 CNCC1=CC=C(C#N)C=C1 M49716 [0,2,0,0,0,0|2,0,0]=4 1008 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [0,2,0,0,0,0|2,0,0]=4 1009 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [0,2,0,0,0,0|2,0,0]=4 1010 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [0,2,0,0,0,0|1,0,1]=4 1011 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [0,2,0,0,0,0|0,0,0]=2 1012 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [0,2,0,0,0,0|0,0,2]=4 1013 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [0,2,0,0,0,0|1,0,1]=4 1014 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [0,2,0,0,0,0|2,0,0]=4 1015 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [0,2,0,0,0,0|2,0,0]=4 1019 B11R1.83 N#CC1=CC=C(CCBr)C=C1 B36957 [0,2,0,0,0,0|1,0,1]=4 1020 B11R1.83 N#CC1=CC=C(CCO)C=C1 H51763 [0,2,0,0,0,0|0,0,2]=4 1021 B11R1.83 N#CCC1=CC=C(C#N)C=C1 C50794 [0,2,0,0,0,0|1,0,1]=4 1022 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 B49701 [0,2,0,0,0,0|1,0,1]=4 1023 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 D67460 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.192 CNCC1=CC(O)=C(O)C=C1 M49486 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 B48302 [0,2,0,0,0,0|1,0,1]=4 1027 B11R1.192 N#CCC1=CC(Br)=C(F)C=C1 B47685 [0,2,0,0,0,0|1,0,1]=4 1028 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 D67912 [0,2,0,0,0,0|1,0,1]=4 1029 B11R1.192 N#CCC1=CC(Cl)=C(F)C=C1 C47694 [0,2,0,0,0,0|1,0,1]=4 1030 B11R1.192 N#CCC1=CC(F)=C(Br)C=C1 B47671 [0,2,0,0,0,0|1,0,1]=4 1031 B11R1.192 N#CCC1=CC(F)=C(Cl)C=C1 C47698 [0,2,0,0,0,0|1,0,1]=4 1032 B11R1.192 N#CCC1=CC(F)=C(F)C=C1 D47709 [0,2,0,0,0,0|1,0,1]=4 1033 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 D49146 [0,2,0,0,0,0|0,0,2]=4 1034 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 C49151 [0,2,0,0,0,0|0,0,2]=4 1035 B11R1.13 CC1=C(F)C=CC=C1CC#N F51462 [0,2,0,0,0,0|1,0,1]=4 1036 B11R1.13 N#CCC1=CC=CC(Br)=C1F B47670 [0,2,0,0,0,0|1,0,1]=4 1037 B11R1.13 N#CCC1=CC=CC(Cl)=C1Cl D47689 [0,2,0,0,0,0|1,0,1]=4 1038 B11R1.13 N#CCC1=CC=CC(Cl)=C1F C47693 [0,2,0,0,0,0|1,0,1]=4 1039 B11R1.13 N#CCC1=CC=CC(F)=C1F D47707 [0,2,0,0,0,0|1,0,1]=4 1040 B11R1.13 OCCC1=CC=CC(Cl)=C1Cl D49145 [0,2,0,0,0,0|0,0,2]=4 1041 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 M9125 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.17 CC1=C(NCCO)C=CC=C1 H50355 [0,2,0,0,0,0|0,0,2]=4 1043 B11R1.17 CC1=C(OCC#N)C=CC=C1 T51755 [0,2,0,0,0,0|1,0,1]=4 1044 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [0,2,0,0,0,0|1,0,1]=4 1045 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,2,0,0,0,0|1,0,1]=4 1046 B11R1.17 O=C\C=C\C1=C(Cl)C=CC=C1 C51320 [0,2,0,0,0,0|0,0,1]=3 1047 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,2,0,0,0,0|0,0,2]=4 1048 B11R1.17 [N-]=[N+]=NCC1=C(F)C=CC=C1 A9130 [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.41 COC1=C(CC#N)C=CC=C1 M62292 [0,2,0,0,0,0|1,0,1]=4 1051 B11R1.41 COC1=C(CCBr)C=CC=C1 B50155 [0,2,0,0,0,0|1,0,1]=4 1052 B11R1.41 COC1=C(CCN)C=CC=C1 M66296 [0,2,0,0,0,0|1,0,1]=4 1053 B11R1.41 COC1=C(CCO)C=CC=C1 M50284 [0,2,0,0,0,0|0,0,2]=4 1054 B11R1.41 COC1=C(CNN)C=CC=C1 M12218 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.41 N#CC1=C(CCBr)C=CC=C1 B51450 [0,2,0,0,0,0|1,0,1]=4 1056 B11R1.41 N#CCC1=C(C#N)C=CC=C1 C50793 [0,2,0,0,0,0|1,0,1]=4 1057 B11R1.41 N#CCC1=C(C=O)C=CC=C1 F37431 [0,2,0,0,0,0|1,0,1]=4 1058 B11R1.41 N#CCC1=C(CBr)C=CC=C1 B51453 [0,2,0,0,0,0|1,0,1]=4 1059 B11R1.41 O=CC1=C(CCBr)C=CC=C1 B52025 [0,2,0,0,0,0|1,0,1]=4 1060 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,2,0,0,0,0|0,0,0]=2 1061 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,2,0,0,0,0|0,0,0]=2 1062 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,2,0,0,0,0|0,0,0]=2 1063 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 K63586 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,2,0,0,0,0|1,0,0]=3 1065 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,2,0,0,0,0|0,0,0]=2 1067 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,2,0,0,0,0|0,0,0]=2 1068 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 B62940 [0,2,0,0,0,0|1,1,0]=4 1069 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 C39396 [0,2,0,0,0,0|1,1,0]=4 1070 B11R1.86 NC1=C(CC(=O)O)C=CC=N1 A46006 [0,2,0,0,0,0|1,0,0]=3 1071 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,2,0,0,0,0|0,0,0]=2 1072 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 B11292 [0,2,0,0,0,0|1,0,0]=3 1073 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,2,0,0,0,0|0,0,0]=2 1074 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,2,0,0,0,0|0,0,0]=2 1075 B11R1.86 O=C(O)CC1=CC=CN=C1Cl C10465 [0,2,0,0,0,0|1,0,0]=3 1076 B11R1.86 O=C(O)CC1=NC=CC=C1O H10790 [0,2,0,0,0,0|1,0,0]=3 1077 B11R1.86 O=C(O)CC1=NC=CN=C1Cl C14611 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl S27650 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 F51464 [0,2,0,0,0,0|1,0,1]=4 1080 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 D52506 [0,2,0,0,0,0|1,0,1]=4 1081 B11R1.182 COCC1=C(F)C=CC(Br)=C1 B39083 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.182 N#CCC1=C(Br)C=CC(F)=C1 B47684 [0,2,0,0,0,0|1,0,1]=4 1083 B11R1.182 N#CCC1=C(Cl)C=CC(Cl)=C1 D47687 [0,2,0,0,0,0|1,0,1]=4 1084 B11R1.182 N#CCC1=C(Cl)C=CC(F)=C1 C47691 [0,2,0,0,0,0|1,0,1]=4 1085 B11R1.182 N#CCC1=C(F)C=CC(Br)=C1 B38134 [0,2,0,0,0,0|1,0,1]=4 1086 B11R1.182 NC1=CC(CCO)=C(N)C=C1 D47001 [0,2,0,0,0,0|0,0,2]=4 1087 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 D49228 [0,2,0,0,0,0|1,0,1]=4 1088 B11R1.182 OCCC1=C(Cl)C=CC(Cl)=C1 D49148 [0,2,0,0,0,0|0,0,2]=4 1089 B11R1.182 OCCC1=C(F)C=CC(F)=C1 D49156 [0,2,0,0,0,0|0,0,2]=4 1090 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [0,2,0,0,0,0|1,0,1]=4 1091 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [0,2,0,0,0,0|1,0,1]=4 1092 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,2,0,0,0,0|1,0,1]=4 1093 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [0,2,0,0,0,0|1,0,1]=4 1094 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [0,2,0,0,0,0|1,0,1]=4 1095 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [0,2,0,0,0,0|1,0,1]=4 1096 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [0,2,0,0,0,0|1,0,1]=4 1097 B11R1.222 N[C@H](CO)C1=C(Cl)C=CC=C1 A46809 [0,2,0,0,0,0|0,0,2]=4 1098 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A46819 [0,2,0,0,0,0|0,0,2]=4 1099 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A49515 [0,2,0,0,0,0|0,0,2]=4 1100 B11R1.605 C=CCC1=C(I)C=CN=C1F A48436 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.605 N#CCC1=C(Br)C=CC=C1Br D47659 [0,2,0,0,0,0|1,0,1]=4 1102 B11R1.605 N#CCC1=C(Cl)C=CC=C1Cl D39458 [0,2,0,0,0,0|1,0,1]=4 1103 B11R1.605 N#CCC1=C(Cl)C=CC=C1F C47692 [0,2,0,0,0,0|1,0,1]=4 1104 B11R1.605 N#CCC1=C(F)C=CC=C1F D38482 [0,2,0,0,0,0|1,0,1]=4 1105 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl D64783 [0,2,0,0,0,0|1,0,1]=4 1106 B11R1.605 O=CCC1=C(Cl)N=CN=C1Cl D1409 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl D38686 [0,2,0,0,0,0|0,0,2]=4 1108 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 A50349 [0,2,0,0,0,0|0,0,2]=4 1109 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A50350 [0,2,0,0,0,0|0,0,2]=4 1110 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A52173 [0,2,0,0,0,0|0,0,2]=4 1111 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [0,2,0,0,0,0|1,0,1]=4 1112 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [0,2,0,0,0,0|1,0,1]=4 1113 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [0,2,0,0,0,0|1,0,1]=4 1114 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [0,2,0,0,0,0|1,0,1]=4 1115 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 A46787 [0,2,0,0,0,0|0,0,2]=4 1117 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46801 [0,2,0,0,0,0|0,0,2]=4 1118 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46803 [0,2,0,0,0,0|0,0,2]=4 1119 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A64410 [0,2,0,0,0,0|0,0,2]=4 1120 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A66336 [0,2,0,0,0,0|0,0,2]=4 1121 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 A49514 [0,2,0,0,0,0|0,0,2]=4 1122 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 A49526 [0,2,0,0,0,0|0,0,2]=4 1123 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 A46799 [0,2,0,0,0,0|0,0,2]=4 1124 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46804 [0,2,0,0,0,0|0,0,2]=4 1125 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46810 [0,2,0,0,0,0|0,0,2]=4 1126 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A46820 [0,2,0,0,0,0|0,0,2]=4 1127 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A49516 [0,2,0,0,0,0|0,0,2]=4 1128 B11R1.23 N[C@H](CO)C1=CC=CC(I)=C1 A11985 [0,2,0,0,0,0|0,0,2]=4 1129 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 F63112 [0,2,0,0,0,0|0,0,1]=3 1130 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 C49388 [0,2,0,0,0,0|0,0,2]=4 1131 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C36827 [0,2,0,0,0,0|1,0,1]=4 1132 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [0,2,0,0,0,0|0,0,2]=4 1133 B11R1.24 CC1=CC=CC(CN=[N+]=[N-])=C1 M9126 [0,2,0,0,0,0|2,0,0]=4 1134 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [0,2,0,0,0,0|1,0,1]=4 1135 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [0,2,0,0,0,0|1,0,1]=4 1136 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [0,2,0,0,0,0|1,0,1]=4 1137 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [0,2,0,0,0,0|1,0,1]=4 1138 B11R1.24 COCOC1=CC=CC(F)=C1 F49397 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.24 FCCOC1=CC=CC(F)=C1 D49152 [0,2,0,0,0,0|1,0,1]=4 1140 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [0,2,0,0,0,0|0,0,0]=2 1141 B11R1.24 O=CNNC1=CC=CC(Cl)=N1 F4991 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.24 O=C\C=C\C1=CC=CC(Br)=C1 B51313 [0,2,0,0,0,0|0,0,1]=3 1143 B11R1.24 O=C\C=C\C1=CC=CC(Cl)=C1 C51317 [0,2,0,0,0,0|0,0,1]=3 1144 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [0,2,0,0,0,0|0,0,2]=4 1145 B11R1.24 [N-]=[N+]=NCC1=CC=CC(F)=C1 A9128 [0,2,0,0,0,0|2,0,0]=4 1146 B11R1.34 C=CCC1=CC(Br)=CC(F)=C1 A51332 [0,2,0,0,0,0|1,0,0]=3 1147 B11R1.34 CC1=CC(F)=CC(CC#N)=C1 F51463 [0,2,0,0,0,0|1,0,1]=4 1148 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 D64876 [0,2,0,0,0,0|2,0,0]=4 1149 B11R1.34 FC1=CC(F)=CC(CCBr)=C1 B63546 [0,2,0,0,0,0|1,0,1]=4 1150 B11R1.34 N#CCC1=CC(Br)=CC(Br)=C1 D47658 [0,2,0,0,0,0|1,0,1]=4 1151 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 D47690 [0,2,0,0,0,0|1,0,1]=4 1152 B11R1.34 N#CCC1=CC(Cl)=CC(F)=C1 C47697 [0,2,0,0,0,0|1,0,1]=4 1153 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 D47710 [0,2,0,0,0,0|1,0,1]=4 1154 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,2,0,0,0,0|0,0,0]=2 1155 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,2,0,0,0,0|0,0,0]=2 1156 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,2,0,0,0,0|0,0,0]=2 1157 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 C3776 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.157 CC(=O)NC1=CC=CC(Br)=N1 B45691 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 F2848 [0,2,0,0,0,0|1,0,0]=3 1160 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 A46342 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 B45689 [0,2,0,0,0,0|2,0,0]=4 1162 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 C45700 [0,2,0,0,0,0|2,0,0]=4 1163 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 F48608 [0,2,0,0,0,0|1,0,0]=3 1164 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 K48628 [0,2,0,0,0,0|1,0,0]=3 1165 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [0,2,0,0,0,0|1,0,1]=4 1166 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 T49882 [0,2,0,0,0,0|0,0,0]=2 1167 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 S49484 [0,2,0,0,0,0|1,0,0]=3 1168 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 B50233 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.157 CN(C)CC1=CC=CC(O)=C1 D50353 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C65282 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 A46654 [0,2,0,0,0,0|0,0,0]=2 1172 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 C49034 [0,2,0,0,0,0|0,0,0]=2 1173 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 B38302 [0,2,0,0,0,0|1,0,0]=3 1174 B11R1.157 O=C(O)CC1=CC(Cl)=NC=C1 C62039 [0,2,0,0,0,0|1,0,0]=3 1175 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 F8162 [0,2,0,0,0,0|1,0,0]=3 1176 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 B67653 [0,2,0,0,0,0|0,0,0]=2 1177 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 B45345 [0,2,0,0,0,0|1,0,0]=3 1178 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 C68317 [0,2,0,0,0,0|0,0,0]=2 1179 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 C38947 [0,2,0,0,0,0|1,0,0]=3 1180 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F23088 [0,2,0,0,0,0|0,0,0]=2 1181 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 F15877 [0,2,0,0,0,0|1,0,0]=3 1182 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 K48631 [0,2,0,0,0,0|0,0,0]=2 1183 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 B45344 [0,2,0,0,0,0|1,0,0]=3 1184 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C45371 [0,2,0,0,0,0|1,0,0]=3 1185 B11R1.189 C=CCC1=CC=CC(OC)=C1 M52782 [0,2,0,0,0,0|1,0,0]=3 1186 B11R1.189 CNCC1=CC=CC(C#N)=C1 M49715 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.189 CNCC1=CC=CC(OC)=C1 M50357 [0,2,0,0,0,0|2,0,0]=4 1188 B11R1.189 COC1=CC(CC#N)=CC=C1 M22153 [0,2,0,0,0,0|1,0,1]=4 1189 B11R1.189 COC1=CC(CCN)=CC=C1 M52171 [0,2,0,0,0,0|1,0,1]=4 1190 B11R1.189 COC1=CC(CCN)=CC=C1 M67069 [0,2,0,0,0,0|1,0,1]=4 1191 B11R1.189 COC1=CC(CCO)=CC=C1 M50285 [0,2,0,0,0,0|0,0,2]=4 1192 B11R1.189 COC1=CC(CNN)=CC=C1 M0100 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.189 N#CC1=CC=CC(CCO)=C1 H38259 [0,2,0,0,0,0|0,0,2]=4 1194 B11R1.189 NCC1=CC=CC(CCO)=C1 A32377 [0,2,0,0,0,0|0,0,2]=4 1195 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 M64383 [0,2,0,0,0,0|1,0,1]=4 1196 B11R1.7 C#C[C@@](C)(O)C1=CC=CC=C1 P52408 [0,2,0,0,0,0|1,0,1]=4 1197 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 V37846 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M62343 [0,2,0,0,0,0|1,0,1]=4 1199 B11R1.7 CC(C)(CN)C1=CC=CC=C1 M53116 [0,2,0,0,0,0|1,0,1]=4 1200 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [0,2,0,0,0,0|0,0,2]=4 1201 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [0,2,0,0,0,0|2,0,0]=4 1202 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [0,2,0,0,0,0|0,0,2]=4 1203 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [0,2,0,0,0,0|0,0,2]=4 1204 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [0,2,0,0,0,0|1,0,0]=3 1205 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,2,0,0,0,0|1,0,1]=4 1206 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,2,0,0,0,0|1,0,1]=4 1207 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [0,2,0,0,0,0|1,0,1]=4 1208 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [0,2,0,0,0,0|0,0,2]=4 1209 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,2,0,0,0,0|1,0,1]=4 1210 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [0,2,0,0,0,0|1,0,1]=4 1211 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,2,0,0,0,0|1,0,1]=4 1212 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,2,0,0,0,0|0,0,2]=4 1213 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,2,0,0,0,0|0,0,2]=4 1214 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,2,0,0,0,0|0,0,2]=4 1215 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,2,0,0,0,0|1,0,1]=4 1216 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,2,0,0,0,0|1,0,1]=4 1217 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,2,0,0,0,0|1,0,1]=4 1218 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,2,0,0,0,0|0,0,1]=3 1219 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,2,0,0,0,0|0,0,1]=3 1220 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,2,0,0,0,0|1,0,1]=4 1221 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,2,0,0,0,0|1,0,1]=4 1222 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,2,0,0,0,0|1,0,1]=4 1223 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,2,0,0,0,0|0,0,0]=2 1224 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,2,0,0,0,0|0,0,2]=4 1225 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,2,0,0,0,0|0,0,2]=4 1226 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,2,0,0,0,0|0,0,0]=2 1227 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,2,0,0,0,0|0,0,2]=4 1228 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,2,0,0,0,0|0,0,2]=4 1229 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,2,0,0,0,0|0,0,0]=2 1230 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,2,0,0,0,0|0,0,0]=2 1231 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,2,0,0,0,0|0,0,0]=2 1232 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 A46932 [0,2,0,0,0,0|0,0,2]=4 1233 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,2,0,0,0,0|0,0,0]=2 1234 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,2,0,0,0,0|0,0,0]=2 1235 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,2,0,0,0,0|0,0,0]=2 1236 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [0,2,0,0,0,0|1,0,1]=4 1237 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [0,2,0,0,0,0|1,0,1]=4 1238 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [0,2,0,0,0,0|1,0,1]=4 1239 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [0,2,0,0,0,0|1,0,1]=4 1240 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [0,2,0,0,0,0|1,0,0]=3 1241 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [0,2,0,0,0,0|1,0,1]=4 1242 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [0,2,0,0,0,0|1,0,1]=4 1243 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [0,2,0,0,0,0|1,0,1]=4 1244 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [0,2,0,0,0,0|1,0,1]=4 1245 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [0,2,0,0,0,0|1,0,1]=4 1246 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [0,2,0,0,0,0|0,0,0]=2 1247 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [0,2,0,0,0,0|0,0,0]=2 1248 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [0,2,0,0,0,0|0,0,2]=4 1249 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [0,2,0,0,0,0|0,0,2]=4 1250 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,2,0,0,0,0|0,0,2]=4 1251 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [0,2,0,0,0,0|1,0,0]=3 1252 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,2,0,0,0,0|1,0,0]=3 1253 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,2,0,0,0,0|1,0,0]=3 1254 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,2,0,0,0,0|1,0,0]=3 1255 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,2,0,0,0,0|1,0,0]=3 1256 B11R1.40 COC(=O)CC1=CN=NC=C1 M10235 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,2,0,0,0,0|1,0,0]=3 1258 B11R1.40 COC(=O)CC1=NC=CC=N1 M46001 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.40 COC(=O)CC1=NC=NC=C1 M12914 [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.40 COC(=O)CC1=NN=CC=C1 M10253 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,2,0,0,0,0|1,0,0]=3 1263 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,2,0,0,0,0|1,0,1]=4 1264 B11R1.40 NNC(=O)CC1=CC=NC=C1 P9939 [0,2,0,0,0,0|1,0,0]=3 1265 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,2,0,0,0,0|0,0,2]=4 1266 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,2,0,0,0,0|0,0,2]=4 1267 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,2,0,0,0,0|0,0,2]=4 1268 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,2,0,0,0,0|1,0,0]=3 1269 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,2,0,0,0,0|1,0,0]=3 1270 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,2,0,0,0,0|1,0,0]=3 1271 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,2,0,0,0,0|1,0,0]=3 1272 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,2,0,0,0,0|0,0,2]=4 1273 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,2,0,0,0,0|0,0,2]=4 1274 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,2,0,0,0,0|1,0,0]=3 1275 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,2,0,0,0,0|0,0,1]=3 1276 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,2,0,0,0,0|0,0,0]=2 1277 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,2,0,0,0,0|0,0,0]=2 1278 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,2,0,0,0,0|0,0,1]=3 1279 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,2,0,0,0,0|0,0,0]=2 1280 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,2,0,0,0,0|0,0,1]=3 1281 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [0,2,0,0,0,0|1,0,1]=4 1282 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [0,2,0,0,0,0|1,0,1]=4 1283 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [0,2,0,0,0,0|1,0,1]=4 1284 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [0,2,0,0,0,0|2,0,0]=4 1285 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,2,0,0,0,0|1,0,0]=3 1286 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,2,0,0,0,0|0,0,0]=2 1287 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,2,0,0,0,0|1,0,0]=3 1288 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,2,0,0,0,0|1,0,0]=3 1289 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,2,0,0,0,0|1,0,0]=3 1290 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,2,0,0,0,0|1,0,0]=3 1291 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,2,0,0,0,0|0,0,1]=3 1292 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [0,2,0,0,0,0|1,0,1]=4 1293 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [0,2,0,0,0,0|1,0,1]=4 1294 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,2,0,0,0,0|0,0,1]=3 1295 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,2,0,0,0,0|0,0,2]=4 1296 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [0,2,0,0,0,0|0,0,2]=4 1297 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 P46415 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B37400 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 M37460 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60768 [0,2,0,0,0,0|2,0,0]=4 1301 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60838 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 P43591 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 P38803 [0,2,0,0,0,0|1,0,0]=3 1304 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 P60785 [0,2,0,0,0,0|2,0,0]=4 1305 B9R1.5 NC1=CC=CC=CC1=O A62027 [0,0,1,1,0,0|1,0,1]=4 1306 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [1,0,0,1,0,0|0,0,1]=3 1307 B11R2.18 C1=CC=C2C=CC=C2C=C1 A60556 [0,0,0,1,0,1|1,0,1]=4 1308 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [0,1,0,1,0,0|1,0,1]=4 1309 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 F62188 [0,1,0,1,0,0|0,0,2]=4 1310 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [0,1,0,1,0,0|1,0,1]=4 1311 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [0,1,0,1,0,0|1,0,1]=4 1312 B11R2.36 BrC1=CC2=C(C=C1)CCN2 B48873 [0,1,0,1,0,0|1,0,1]=4 1313 B11R2.36 BrC1=CC2=C(C=C1)CCN2 B48878 [0,1,0,1,0,0|1,0,1]=4 1314 B11R2.36 BrC1=CC2=C(C=C1)CCO2 B48719 [0,1,0,1,0,0|0,0,2]=4 1315 B11R2.36 BrC1=CC2=C(C=C1)CNC2 B0713 [0,1,0,1,0,0|2,0,0]=4 1316 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 B44517 [0,1,0,1,0,0|1,0,1]=4 1317 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 B44417 [0,1,0,1,0,0|1,1,0]=4 1318 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 B2310 [0,1,0,1,0,0|1,0,1]=4 1319 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 B44744 [0,1,0,1,0,0|2,0,0]=4 1320 B11R2.36 BrC1=CC2=C(C=C1)NCC2 B22435 [0,1,0,1,0,0|1,0,1]=4 1321 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 B47830 [0,1,0,1,0,0|0,0,2]=4 1322 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 B44516 [0,1,0,1,0,0|1,0,1]=4 1323 B11R2.36 BrC1=CC2=C(C=C1)OCC2 B24807 [0,1,0,1,0,0|0,0,2]=4 1324 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 B1871 [0,1,0,1,0,0|0,1,1]=4 1325 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 B44416 [0,1,0,1,0,0|1,1,0]=4 1326 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 B2309 [0,1,0,1,0,0|1,0,1]=4 1327 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 B10580 [0,1,0,1,0,0|0,0,2]=4 1328 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 B10904 [0,1,0,1,0,0|0,1,1]=4 1329 B11R2.36 CC1=CC2=C(C=C1)N=CO2 M48438 [0,1,0,1,0,0|1,0,1]=4 1330 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M2329 [0,1,0,1,0,0|1,0,1]=4 1331 B11R2.36 CC1=CC2=C(C=C1)NCC2 M49974 [0,1,0,1,0,0|1,0,1]=4 1332 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M48441 [0,1,0,1,0,0|1,0,1]=4 1333 B11R2.36 CC1=CC2=C(C=C1)SC=C2 M51665 [0,1,0,1,0,0|0,1,1]=4 1334 B11R2.36 CC1=CC2=C(C=CN2)C=C1 M2330 [0,1,0,1,0,0|1,0,1]=4 1335 B11R2.36 CC1=CC2=C(C=CS2)C=C1 M51666 [0,1,0,1,0,0|0,1,1]=4 1336 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 C39035 [0,1,0,1,0,0|1,0,0]=3 1337 B11R2.36 ClC1=CC2=C(C=C1)CCN2 C48881 [0,1,0,1,0,0|1,0,1]=4 1338 B11R2.36 ClC1=CC2=C(C=C1)CNC2 C48884 [0,1,0,1,0,0|2,0,0]=4 1339 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 C44774 [0,1,0,1,0,0|2,0,0]=4 1340 B11R2.36 ClC1=CC2=C(C=C1)N=CO2 C44529 [0,1,0,1,0,0|1,0,1]=4 1341 B11R2.36 ClC1=CC2=C(C=C1)N=CS2 C44429 [0,1,0,1,0,0|1,1,0]=4 1342 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 C12131 [0,1,0,1,0,0|1,0,1]=4 1343 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 C44528 [0,1,0,1,0,0|1,0,1]=4 1344 B11R2.36 ClC1=CC2=C(C=C1)OCC2 C48731 [0,1,0,1,0,0|0,0,2]=4 1345 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 C47537 [0,1,0,1,0,0|0,1,1]=4 1346 B11R2.36 ClC1=CC2=C(C=C1)SC=N2 C62198 [0,1,0,1,0,0|1,1,0]=4 1347 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 C4679 [0,1,0,1,0,0|1,0,1]=4 1348 B11R2.36 FC1=CC2=C(C=C1)CC=C2 F51044 [0,1,0,1,0,0|1,0,0]=3 1349 B11R2.36 FC1=CC2=C(C=C1)CCC2 F51669 [0,1,0,1,0,0|1,0,1]=4 1350 B11R2.36 FC1=CC2=C(C=C1)CNC2 F24902 [0,1,0,1,0,0|2,0,0]=4 1351 B11R2.36 FC1=CC2=C(C=C1)N=CS2 F61570 [0,1,0,1,0,0|1,1,0]=4 1352 B11R2.36 FC1=CC2=C(C=C1)NC=C2 F31500 [0,1,0,1,0,0|1,0,1]=4 1353 B11R2.36 FC1=CC2=C(C=C1)NC=N2 F44797 [0,1,0,1,0,0|2,0,0]=4 1354 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F47842 [0,1,0,1,0,0|0,0,2]=4 1355 B11R2.36 FC1=CC2=C(C=C1)OCC2 F62598 [0,1,0,1,0,0|0,0,2]=4 1356 B11R2.36 FC1=CC2=C(C=C1)SC=N2 F44438 [0,1,0,1,0,0|1,1,0]=4 1357 B11R2.36 FC1=CC2=C(C=CN2)C=C1 F2136 [0,1,0,1,0,0|1,0,1]=4 1358 B11R2.36 FC1=CC2=C(C=CS2)C=C1 F38235 [0,1,0,1,0,0|0,1,1]=4 1359 B11R2.36 IC1=CC2=C(C=C1)CCC2 K64448 [0,1,0,1,0,0|1,0,1]=4 1360 B11R2.36 IC1=CC2=C(C=C1)N=CN2 K44804 [0,1,0,1,0,0|2,0,0]=4 1361 B11R2.36 IC1=CC2=C(C=C1)N=CS2 K44445 [0,1,0,1,0,0|1,1,0]=4 1362 B11R2.36 IC1=CC2=C(C=C1)NC=C2 K47985 [0,1,0,1,0,0|1,0,1]=4 1363 B11R2.36 IC1=CC2=C(C=C1)OCC2 I2714 [0,1,0,1,0,0|0,0,2]=4 1364 B11R2.36 IC1=CC2=C(C=CN2)C=C1 I29514 [0,1,0,1,0,0|1,0,1]=4 1365 B11R2.36 IC1=CC2=C(C=CO2)C=C1 I37384 [0,1,0,1,0,0|0,0,2]=4 1366 B11R2.36 NC1=CC2=C(C=C1)COC2 D49267 [0,1,0,1,0,0|2,0,0]=4 1367 B11R2.36 NC1=CC2=C(C=C1)N=CO2 B37988 [0,1,0,1,0,0|1,0,1]=4 1368 B11R2.36 NC1=CC2=C(C=C1)N=CS2 A45267 [0,1,0,1,0,0|1,1,0]=4 1369 B11R2.36 NC1=CC2=C(C=C1)OC=C2 B48437 [0,1,0,1,0,0|0,0,2]=4 1370 B11R2.36 NC1=CC2=C(C=C1)OCC2 D49263 [0,1,0,1,0,0|0,0,2]=4 1371 B11R2.36 NC1=CC2=C(C=C1)SC=C2 A48561 [0,1,0,1,0,0|0,1,1]=4 1372 B11R2.36 NC1=CC2=C(C=C1)SC=N2 B16648 [0,1,0,1,0,0|1,1,0]=4 1373 B11R2.36 NC1=CC2=C(C=CN2)C=C1 A24110 [0,1,0,1,0,0|1,0,1]=4 1374 B11R2.36 NC1=CC2=C(C=CO2)C=C1 B63796 [0,1,0,1,0,0|0,0,2]=4 1375 B11R2.36 OC1=CC2=C(C=C1)CCN2 K49255 [0,1,0,1,0,0|1,0,1]=4 1376 B11R2.36 OC1=CC2=C(C=C1)CCO2 D49068 [0,1,0,1,0,0|0,0,2]=4 1377 B11R2.36 OC1=CC2=C(C=C1)CNC2 D29486 [0,1,0,1,0,0|2,0,0]=4 1378 B11R2.36 OC1=CC2=C(C=C1)N=CS2 H37396 [0,1,0,1,0,0|1,1,0]=4 1379 B11R2.36 OC1=CC2=C(C=C1)NC=C2 F2321 [0,1,0,1,0,0|1,0,1]=4 1380 B11R2.36 OC1=CC2=C(C=C1)NC=N2 B67409 [0,1,0,1,0,0|2,0,0]=4 1381 B11R2.36 OC1=CC2=C(C=C1)NCC2 K49254 [0,1,0,1,0,0|1,0,1]=4 1382 B11R2.36 OC1=CC2=C(C=C1)OCC2 D49067 [0,1,0,1,0,0|0,0,2]=4 1383 B11R2.36 OC1=CC2=C(C=C1)SC=C2 B36743 [0,1,0,1,0,0|0,1,1]=4 1384 B11R2.36 OC1=CC2=C(C=C1)SC=N2 B45070 [0,1,0,1,0,0|1,1,0]=4 1385 B11R2.36 OC1=CC2=C(C=CN2)C=C1 H2141 [0,1,0,1,0,0|1,0,1]=4 1386 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [0,1,0,1,0,0|1,0,0]=3 1387 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 B47828 [0,1,0,1,0,0|0,0,2]=4 1388 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 B47534 [0,1,0,1,0,0|0,1,1]=4 1389 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 B36657 [0,1,0,1,0,0|2,0,0]=4 1390 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 B44414 [0,1,0,1,0,0|1,1,0]=4 1391 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,1,0,1,0,0|1,0,1]=4 1392 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,1,0,1,0,0|1,0,0]=3 1393 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [0,1,0,1,0,0|1,0,1]=4 1394 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [0,1,0,1,0,0|0,1,1]=4 1395 B11R2.10 CC1=NC2=C(C=CC=C2)O1 M63131 [0,1,0,1,0,0|1,0,1]=4 1396 B11R2.10 CC1=NC2=C(C=CC=C2)S1 M39486 [0,1,0,1,0,0|1,1,0]=4 1397 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,1,0,1,0,0|1,0,1]=4 1398 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,1,0,1,0,0|1,0,1]=4 1399 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [0,1,0,1,0,0|1,0,1]=4 1400 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 C39352 [0,1,0,1,0,0|2,0,0]=4 1401 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 C44527 [0,1,0,1,0,0|1,0,1]=4 1402 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 C39328 [0,1,0,1,0,0|1,1,0]=4 1403 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [0,1,0,1,0,0|1,0,1]=4 1404 B11R2.10 IC1=NC2=C(C=CC=C2)S1 K44444 [0,1,0,1,0,0|1,1,0]=4 1405 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [0,1,0,1,0,0|0,1,1]=4 1406 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [0,1,0,1,0,0|2,0,0]=4 1407 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [0,1,0,1,0,0|1,0,1]=4 1408 B11R2.10 O=C1C=C2C=CC=CN2N1 P45223 [0,1,0,1,0,0|1,0,1]=4 1409 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,1,0,1,0,0|0,0,0]=2 1410 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [0,1,0,1,0,0|1,0,0]=3 1411 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [0,1,0,1,0,0|1,0,0]=3 1412 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [0,1,0,1,0,0|1,0,0]=3 1413 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [0,1,0,1,0,0|1,0,0]=3 1414 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [0,1,0,1,0,0|1,0,0]=3 1415 B11R2.10 O=C1CC2=C(N=CN=C2)N1 D10956 [0,1,0,1,0,0|2,0,0]=4 1416 B11R2.10 O=C1CN2C=CC=CC2=N1 K46529 [0,1,0,1,0,0|1,0,0]=3 1417 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [0,1,0,1,0,0|1,0,0]=3 1418 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [0,1,0,1,0,0|2,0,0]=4 1419 B11R2.10 O=C1NC2=C(C=CC=N2)S1 T42138 [0,1,0,1,0,0|2,0,0]=4 1420 B11R2.10 O=C1NC2=C(C=NC=C2)N1 I38762 [0,1,0,1,0,0|2,0,0]=4 1421 B11R2.10 O=C1NC2=C(N=CC=C2)N1 K42475 [0,1,0,1,0,0|2,0,0]=4 1422 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [0,1,0,1,0,0|1,0,0]=3 1423 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,1,0,1,0,0|0,0,2]=4 1424 B11R2.10 S=C1NC2=C(C=CC=C2)N1 B69662 [0,1,0,1,0,0|1,1,0]=4 1425 B11R2.10 S=C1NC2=C(C=CC=C2)S1 B69039 [0,1,0,1,0,0|1,1,0]=4 1426 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,1,0,1,0,0|0,0,2]=4 1427 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,1,0,1,0,0|1,0,1]=4 1428 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [0,1,0,1,0,0|1,0,1]=4 1429 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,1,0,1,0,0|0,0,2]=4 1430 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [0,1,0,1,0,0|0,0,2]=4 1431 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [0,1,0,1,0,0|0,1,1]=4 1432 B11R2.20 C1=CC=C2C=NC=CC2=C1 Q68586 [0,1,0,1,0,0|1,0,1]=4 1433 B11R2.20 C1=CC=C2N=CC=NC2=C1 Q69216 [0,1,0,1,0,0|1,0,1]=4 1434 B11R2.55 NC1=C(C2CC2)C=CC=C1 C37591 [0,1,0,1,0,0|1,0,1]=4 1435 B11R2.106 BrC1=C2C=CNC2=CC=C1 B2073 [0,1,0,1,0,0|1,0,1]=4 1436 B11R2.106 BrC1=C2C=COC2=CC=C1 B10972 [0,1,0,1,0,0|0,0,2]=4 1437 B11R2.106 BrC1=C2C=CSC2=CC=C1 B10436 [0,1,0,1,0,0|0,1,1]=4 1438 B11R2.106 BrC1=C2CC=CC2=CC=C1 B38249 [0,1,0,1,0,0|1,0,0]=3 1439 B11R2.106 BrC1=C2CCCC2=CC=C1 B10979 [0,1,0,1,0,0|1,0,1]=4 1440 B11R2.106 BrC1=C2CCNC2=CC=C1 B48872 [0,1,0,1,0,0|1,0,1]=4 1441 B11R2.106 BrC1=C2CNCC2=CC=C1 B5333 [0,1,0,1,0,0|2,0,0]=4 1442 B11R2.106 BrC1=C2COCC2=CC=C1 B19438 [0,1,0,1,0,0|2,0,0]=4 1443 B11R2.106 BrC1=C2N=CNC2=CC=C1 B25582 [0,1,0,1,0,0|2,0,0]=4 1444 B11R2.106 BrC1=C2N=CSC2=CC=C1 B44415 [0,1,0,1,0,0|1,1,0]=4 1445 B11R2.106 BrC1=C2NC=CC2=CC=C1 B2281 [0,1,0,1,0,0|1,0,1]=4 1446 B11R2.106 BrC1=C2OC=CC2=CC=C1 B13732 [0,1,0,1,0,0|0,0,2]=4 1447 B11R2.106 BrC1=C2OC=NC2=CC=C1 B26095 [0,1,0,1,0,0|1,0,1]=4 1448 B11R2.106 BrC1=C2OCCC2=CC=C1 B22264 [0,1,0,1,0,0|0,0,2]=4 1449 B11R2.106 BrC1=C2SC=CC2=CC=C1 B19611 [0,1,0,1,0,0|0,1,1]=4 1450 B11R2.106 BrC1=C2SC=NC2=CC=C1 B14564 [0,1,0,1,0,0|1,1,0]=4 1451 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [0,1,0,1,0,0|1,0,1]=4 1452 B11R2.106 CC1=C2NC=CC2=CC=C1 M2101 [0,1,0,1,0,0|1,0,1]=4 1453 B11R2.106 CC1=CC=CC2=C1C=CN2 M2328 [0,1,0,1,0,0|1,0,1]=4 1454 B11R2.106 CC1=CC=CC2=C1C=CS2 M51664 [0,1,0,1,0,0|0,1,1]=4 1455 B11R2.106 CC1=CC=CC2=C1NC=N2 M48788 [0,1,0,1,0,0|2,0,0]=4 1456 B11R2.106 ClC1=C2C=CNC2=CC=C1 C2290 [0,1,0,1,0,0|1,0,1]=4 1457 B11R2.106 ClC1=C2C=CSC2=CC=C1 C24793 [0,1,0,1,0,0|0,1,1]=4 1458 B11R2.106 ClC1=C2CC=CC2=CC=C1 C51042 [0,1,0,1,0,0|1,0,0]=3 1459 B11R2.106 ClC1=C2CCNC2=CC=C1 C48879 [0,1,0,1,0,0|1,0,1]=4 1460 B11R2.106 ClC1=C2CNCC2=CC=C1 C36885 [0,1,0,1,0,0|2,0,0]=4 1461 B11R2.106 ClC1=C2N=CSC2=CC=C1 C44428 [0,1,0,1,0,0|1,1,0]=4 1462 B11R2.106 ClC1=C2NC=CC2=CC=C1 C24142 [0,1,0,1,0,0|1,0,1]=4 1463 B11R2.106 ClC1=C2NC=NC2=CC=C1 C44775 [0,1,0,1,0,0|2,0,0]=4 1464 B11R2.106 ClC1=C2SC=CC2=CC=C1 C64511 [0,1,0,1,0,0|0,1,1]=4 1465 B11R2.106 FC1=C2C=CNC2=CC=C1 F3191 [0,1,0,1,0,0|1,0,1]=4 1466 B11R2.106 FC1=C2CNCC2=CC=C1 F37051 [0,1,0,1,0,0|2,0,0]=4 1467 B11R2.106 FC1=C2NC=CC2=CC=C1 F8169 [0,1,0,1,0,0|1,0,1]=4 1468 B11R2.106 FC1=C2NCCC2=CC=C1 F49614 [0,1,0,1,0,0|1,0,1]=4 1469 B11R2.106 FC1=C2OC=CC2=CC=C1 F63014 [0,1,0,1,0,0|0,0,2]=4 1470 B11R2.106 FC1=C2OC=NC2=CC=C1 F44543 [0,1,0,1,0,0|1,0,1]=4 1471 B11R2.106 FC1=C2SC=CC2=CC=C1 F47541 [0,1,0,1,0,0|0,1,1]=4 1472 B11R2.106 FC1=CC=CC2=C1C=CS2 F47540 [0,1,0,1,0,0|0,1,1]=4 1473 B11R2.106 IC1=C2C=CNC2=CC=C1 K47984 [0,1,0,1,0,0|1,0,1]=4 1474 B11R2.106 IC1=C2CCCC2=CC=C1 K51671 [0,1,0,1,0,0|1,0,1]=4 1475 B11R2.106 NC1=C2OC=NC2=CC=C1 B45209 [0,1,0,1,0,0|1,0,1]=4 1476 B11R2.106 NC1=C2OCCC2=CC=C1 A64522 [0,1,0,1,0,0|0,0,2]=4 1477 B11R2.106 NC1=CC=CC2=C1C=CN2 A24052 [0,1,0,1,0,0|1,0,1]=4 1478 B11R2.106 NC1=CC=CC2=C1CCN2 K46638 [0,1,0,1,0,0|1,0,1]=4 1479 B11R2.106 NC1=CC=CC2=C1CCO2 A12891 [0,1,0,1,0,0|0,0,2]=4 1480 B11R2.106 NC1=CC=CC2=C1CNC2 K49654 [0,1,0,1,0,0|2,0,0]=4 1481 B11R2.106 NC1=CC=CC2=C1NC=N2 B23667 [0,1,0,1,0,0|2,0,0]=4 1482 B11R2.106 OC1=C2C=CNC2=CC=C1 F2313 [0,1,0,1,0,0|1,0,1]=4 1483 B11R2.106 OC1=C2CCCC2=CC=C1 K49868 [0,1,0,1,0,0|1,0,1]=4 1484 B11R2.106 OC1=C2CNCC2=CC=C1 K49644 [0,1,0,1,0,0|2,0,0]=4 1485 B11R2.106 OC1=C2N=CNC2=CC=C1 B45210 [0,1,0,1,0,0|2,0,0]=4 1486 B11R2.106 OC1=CC=CC2=C1N=CS2 H68083 [0,1,0,1,0,0|1,1,0]=4 1487 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,1,0,1,0,0|0,0,2]=4 1488 B11R2.35 BrC1=CC(C2CC2)=CC=C1 B67707 [0,1,0,1,0,0|1,0,1]=4 1489 B11R2.35 NC1=CC(C2CC2)=CC=C1 C49975 [0,1,0,1,0,0|1,0,1]=4 1490 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [0,1,0,1,0,0|0,0,2]=4 1491 B11R2.1 BrC1=CSC2=C1C=CC=C2 B47535 [0,1,0,1,0,0|0,1,1]=4 1492 B11R2.1 BrC1=NNC2=C1C=CC=C2 B0436 [0,1,0,1,0,0|2,0,0]=4 1493 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [0,1,0,1,0,0|1,0,0]=3 1494 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [0,1,0,1,0,0|1,0,1]=4 1495 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [0,1,0,1,0,0|2,0,0]=4 1496 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [0,1,0,1,0,0|2,0,0]=4 1497 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [0,1,0,1,0,0|1,0,1]=4 1498 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [0,1,0,1,0,0|2,0,0]=4 1499 B11R2.1 ClC1=NNC2=C1C=CC=C2 C44767 [0,1,0,1,0,0|2,0,0]=4 1500 B11R2.1 ClC1=NOC2=C1C=CC=C2 C44531 [0,1,0,1,0,0|2,0,0]=4 1501 B11R2.1 ClC1=NSC2=C1C=CC=C2 C25325 [0,1,0,1,0,0|2,0,0]=4 1502 B11R2.1 FC1=NNC2=C1C=CC=C2 F39022 [0,1,0,1,0,0|2,0,0]=4 1503 B11R2.1 IC1=NNC2=C1C=CC=C2 X9686 [0,1,0,1,0,0|2,0,0]=4 1504 B11R2.1 NC1=NCC2=C1C=CC=C2 K49609 [0,1,0,1,0,0|1,0,0]=3 1505 B11R2.1 NC1=NCC2=C1C=CC=C2 K64548 [0,1,0,1,0,0|1,0,0]=3 1506 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [0,1,0,1,0,0|2,0,0]=4 1507 B11R2.1 NC1=NSC2=C1C=CC=C2 B69175 [0,1,0,1,0,0|2,0,0]=4 1508 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [0,1,0,1,0,0|1,0,1]=4 1509 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,1,0,1,0,0|1,0,1]=4 1510 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,1,0,1,0,0|1,0,1]=4 1511 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,1,0,1,0,0|1,0,1]=4 1512 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,1,0,1,0,0|1,0,0]=3 1513 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [0,1,0,1,0,0|1,0,0]=3 1514 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,1,0,1,0,0|1,0,0]=3 1515 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,1,0,1,0,0|1,0,0]=3 1516 B11R2.1 O=C1COC2=C1C=CN=C2 F37015 [0,1,0,1,0,0|1,0,0]=3 1517 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [0,1,0,1,0,0|0,0,0]=2 1518 B11R2.1 O=C1NCC2=C1C=CC=N2 D45227 [0,1,0,1,0,0|1,0,0]=3 1519 B11R2.1 O=C1NCC2=C1C=NC=C2 D1721 [0,1,0,1,0,0|1,0,0]=3 1520 B11R2.1 O=C1NN=C2C=CC=CN12 T42480 [0,1,0,1,0,0|2,0,0]=4 1521 B11R2.1 O=C1NNC2=C1C=CC=N2 P42478 [0,1,0,1,0,0|2,0,0]=4 1522 B11R2.1 O=C1NNC2=C1C=CN=C2 P42479 [0,1,0,1,0,0|2,0,0]=4 1523 B11R2.1 O=C1OCC2=C1C=CC=N2 F44926 [0,1,0,1,0,0|1,0,0]=3 1524 B11R2.1 O=[S@]1C=NC2=C1C=CC=C2 B45069 [0,1,0,1,0,0|1,0,0]=3 1525 B11R2.1 OB1OCC2=C1C=CC=C2 H3680 [0,1,0,1,0,0|1,0,1]=4 1526 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,1,0,1,0,0|0,0,2]=4 1527 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,1,0,1,0,0|0,0,2]=4 1528 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,1,0,1,0,0|0,0,2]=4 1529 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,1,0,1,0,0|1,0,1]=4 1530 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,1,0,1,0,0|1,0,1]=4 1531 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [0,1,0,1,0,0|1,0,1]=4 1532 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,0,1,0|2,0,0]=4 1533 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,1,0|1,0,1]=4 1534 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,1,0|2,0,0]=4 1535 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,1,0|2,0,0]=4 1536 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,0,1,0|2,0,0]=4 1537 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,0,1,0|2,0,0]=4 1538 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,1,0|1,0,0]=3 1539 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,1,0|1,0,0]=3 1540 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,0,1,0|2,0,0]=4 1541 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,0,1,0|2,0,0]=4 1542 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,0,1,0|2,0,0]=4 1543 B7R1.1 O=CC1=CNC=C1 P25022 [1,0,0,0,1,0|1,0,0]=3 1544 B7R1.1 O=CC1=CNN=C1 P0675 [1,0,0,0,1,0|2,0,0]=4 1545 B7R1.1 O=CC1=CNN=C1 P7759 [1,0,0,0,1,0|2,0,0]=4 1546 B7R1.1 O=CC1=COC=C1 F65465 [1,0,0,0,1,0|1,0,0]=3 1547 B7R1.1 O=CC1=CSC=C1 T12697 [1,0,0,0,1,0|1,0,0]=3 1548 B7R1.1 O=CC1=CSC=N1 T2159 [1,0,0,0,1,0|2,0,0]=4 1549 B7R1.1 O=CC1=NC=CN1 F2135 [1,0,0,0,1,0|2,0,0]=4 1550 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,0,1,0|2,0,0]=4 1551 B7R1.1 O=CC1=NNC=C1 P23454 [1,0,0,0,1,0|2,0,0]=4 1552 B7R1.1 O=CC1=NOC=C1 I0114 [1,0,0,0,1,0|2,0,0]=4 1553 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,1,0|1,0,1]=4 1554 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,0,1,0|1,0,1]=4 1555 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,0,1,0|1,0,1]=4