0 B9R1.8 BrCCC1=CC=NC=C1 B46088 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.8 CC#CC1=CC=CC=C1 P68608 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.8 CCCC1=NC=CN=C1 P43598 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.8 CCNC1=NC=CN=C1 E43330 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 CNCC1=CC=NC=C1 M43623 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 CNCC1=CN=CN=C1 N11436 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 CNCC1=CN=NC=C1 M12238 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 CNCC1=CN=NC=C1 M27035 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.8 CNCC1=NC=CC=N1 M14362 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 CNCC1=NC=CC=N1 M31227 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 CNCC1=NC=CN=C1 M14584 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.8 CNNC1=CC=CC=C1 M46459 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.8 COCC1=NC=CC=C1 M46377 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [0,0,0,0,0,0|2,0,2]=4 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 NCCC1=CC=CN=C1 P43605 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.8 NCCC1=NC=NC=C1 P14666 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.8 NCCC1=NC=NC=C1 P29961 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.8 NNCC1=CC=CC=C1 B6123 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.8 NNCC1=CC=CC=C1 B68081 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.8 NNCC1=CC=CN=C1 H0097 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.8 NNCC1=CC=CN=C1 H36962 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.8 NNCC1=CC=CN=N1 H13970 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.8 NNCC1=CN=CN=C1 H0219 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.8 NNCC1=CN=NC=C1 H12257 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.8 NNCC1=NC=CC=C1 H0098 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.8 NNCC1=NC=CC=N1 H7463 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.8 NNCC1=NC=CN=C1 H7534 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.8 NOCC1=CC=CC=C1 B68114 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.8 OCCC1=CC=NC=C1 H46381 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.8 OCCC1=NC=CN=C1 P24824 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.8 ONCC1=CC=CC=C1 B36744 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.8 ONCC1=CC=CC=C1 B46575 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.8 [N-]=[N+]=NC1=CN=CC=C1 A2019 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.8 [N-]=[N+]=NC1=NC=CN=C1 A31883 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.2 BrCC1=CN=CC=C1 B23879 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 BrCC1=CN=CN=C1 B36879 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 BrCC1=NC=CC=C1 B42841 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 BrCC1=NC=CN=C1 B36766 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.2 BrCC1=NC=NC=C1 B32305 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 BrCC1=NN=CC=C1 B36818 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 C#CC1=CC=CN=C1 E12479 [1,0,0,0,0,0|1,0,2]=4 55 B8R1.2 C#CC1=NC=CC=C1 E12434 [1,0,0,0,0,0|1,0,2]=4 56 B8R1.2 C#CC1=NC=CN=C1 E14588 [1,0,0,0,0,0|0,0,2]=3 57 B8R1.2 CCC1=NC=CN=C1 E43180 [1,0,0,0,0,0|0,0,0]=1 58 B8R1.2 CNC1=CC=CN=C1 M38086 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 CNC1=CN=CN=C1 M29839 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 CNC1=CN=NC=C1 M38382 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 CNC1=NC=CN=C1 M41140 [1,0,0,0,0,0|1,0,0]=2 62 B8R1.2 COC1=CN=CC=C1 M67978 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 COC1=CN=NC=C1 M41023 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 COC1=NC=CC=C1 M39277 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 COC1=NC=CN=C1 M2768 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.2 COC1=NN=CC=C1 M41021 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 CSC1=NC=CC=N1 M2492 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 CSC1=NN=CC=N1 M5642 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 ClCC1=CN=CN=C1 C10228 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 ClCC1=NC=CC=C1 C67870 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 ClCC1=NC=CC=N1 C0153 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 ClCC1=NC=CC=N1 C40877 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 ClCC1=NC=CN=C1 C0149 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.2 ClCC1=NC=NC=C1 C40878 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 ClCC1=NN=CC=C1 C0156 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 N#CC1=NC=CN=C1 C68117 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.2 NCC1=CC=CN=C1 A69257 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 NCC1=CC=CN=N1 A0031 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 NCC1=CC=CN=N1 P29569 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 NCC1=CN=CN=C1 P0028 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 NCC1=CN=CN=C1 P29548 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 NCC1=CN=NC=C1 A0027 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 NCC1=CN=NC=C1 P41350 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 NCC1=NC=CC=N1 A7421 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 NCC1=NC=CC=N1 P0030 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 NCC1=NC=CN=C1 P0029 [1,0,0,0,0,0|1,0,0]=2 87 B8R1.2 NCC1=NC=CN=C1 P4303 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.2 NCC1=NC=NC=C1 A0032 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.2 NCC1=NC=NC=C1 A10198 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.2 NCC1=NC=NC=C1 P23754 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.2 NNC1=CC=CN=C1 H0043 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.2 NNC1=CC=CN=C1 H41349 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.2 NNC1=NC=CC=C1 H38511 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 NNC1=NC=CN=C1 H0220 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.2 O=CC1=CN=CC=C1 P13753 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.2 O=CC1=NC=CC=C1 P67836 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.2 O=CC1=NC=CN=C1 P0148 [1,0,0,0,0,0|1,0,1]=3 98 B8R1.2 OCC1=CN=CC=C1 P15946 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.2 OCC1=CN=CN=C1 P0145 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.2 OCC1=NC=CC=C1 P69303 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.2 OCC1=NC=CC=N1 P0151 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.2 OCC1=NC=CN=C1 P0147 [1,0,0,0,0,0|1,0,0]=2 103 B8R1.2 OCC1=NC=NC=C1 P0160 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.2 OCC1=NN=CC=C1 P0155 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.1 CC1=CN=C(CC#N)C=C1 M48792 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.1 CCOC1=CN=C(Br)N=C1 B11613 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.1 CCOC1=CN=C(Cl)N=C1 C1802 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.1 CCOC1=CN=C(N)N=C1 E43348 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.1 CCOC1=NC=C(Br)C=N1 B2619 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.1 CCOC1=NC=C(N)C=N1 E43346 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.1 CCOC1=NC=C(N)N=C1 E9737 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.1 CCOC1=NN=C(Cl)C=C1 C43068 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.1 CCOC1=NN=C(N)C=C1 E43349 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.1 COCC1=NC=C(Br)C=N1 B20026 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.1 N#CCC1=CN=C(Cl)C=C1 C44776 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.1 N#CCC1=NC=C(Br)C=C1 B10483 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.1 N#CCC1=NC=C(Cl)C=C1 C44783 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.1 N#CCC1=NC=C(N)C=C1 A61010 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.4 CCNC1=NC=CN=C1N E63353 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.4 CCOC1=CC=CNC1=O E46398 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.4 CCOC1=NC=CN=C1Br B43051 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.4 CCOC1=NC=CN=C1N A36915 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.4 CCOC1=NC=NC=C1N E43347 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.4 N#CCC1=C(Br)C=CC=N1 B14101 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.4 N#CCC1=C(F)C=CC=N1 F44800 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.4 N#CCC1=CC=CN=C1Br B44759 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.4 N#CCC1=CC=CN=C1Cl C0579 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.4 N#CCC1=NC=CC=C1N A37153 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.4 N#CCC1=NC=CN=C1Cl C11546 [0,1,0,0,0,0|1,0,1]=3 179 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.10 CCNC1=CC=NC(Cl)=N1 C43269 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.10 CCNC1=NC=CC(N)=C1 A43751 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.10 CCOC1=CC(Cl)=NN=C1 C43067 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.10 CCOC1=NC(C)=CN=C1 E43628 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.10 CCOC1=NC=NC(C)=C1 E43631 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.10 CNCC1=CC(Br)=CN=C1 B46290 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.10 CNCC1=NC=CC(Cl)=C1 C46305 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.10 COCC1=CC(Cl)=NC=N1 C61748 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.10 COCC1=CC=NC(Cl)=N1 C43072 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.10 N#CCC1=CC(Br)=CN=C1 B10466 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.10 N#CCC1=CC(F)=CN=C1 F12036 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.10 N#CCC1=NC=CC(F)=C1 F44801 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,1,0,0,0,0|1,0,1]=3 228 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [0,1,0,0,0,0|0,0,1]=2 230 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,1,0,0,0,0|1,0,0]=2 232 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [0,1,0,0,0,0|0,0,0]=1 234 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [0,1,0,0,0,0|0,0,0]=1 235 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [0,1,0,0,0,0|1,0,1]=3 239 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.15 NNC(=O)C1=NC=CN=C1 P67570 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.15 O=C(CBr)C1=NC=CN=C1 B42452 [0,1,0,0,0,0|1,0,1]=3 254 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,1,0,0,0,0|1,0,0]=2 266 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,1,0,0,0,0|1,0,0]=2 268 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.17 NCCCC1=CC=NC=C1 P46966 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.17 NCCNC1=CC=CC=C1 P61733 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.17 NCCNC1=NC=CC=N1 P41447 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,1,0,0,0,0|1,0,0]=2 277 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.17 OCCSC1=NC=CC=C1 P46439 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.17 [N-]=[N+]=NCC1=NC=CC=C1 A8446 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,1,0,0,0,0|1,0,1]=3 282 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,1,0,0,0,0|2,0,1]=4 283 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.18 CC(C)NC1=NC=CC=N1 I39098 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.18 NC(=O)NC1=NC=CN=C1 P41097 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,1,0,0,0,0|2,0,1]=4 290 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,1,0,0,0,0|1,0,1]=3 293 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [0,0,0,1,0,0|3,0,0]=4 294 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [0,0,0,1,0,0|3,0,0]=4 295 B10R2.6 C1=CN=C(C2CC2)N=C1 C14647 [0,0,0,1,0,0|2,0,0]=3 296 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [0,0,0,1,0,0|3,0,0]=4 297 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [0,0,0,1,0,0|3,0,0]=4 298 B10R2.7 C1=CC2=C(C=N1)CNC2 D3869 [0,0,0,1,0,0|2,0,0]=3 299 B10R2.7 C1=CC2=C(C=N1)COC2 D46549 [0,0,0,1,0,0|2,0,0]=3 300 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [0,0,0,1,0,0|2,0,0]=3 301 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [0,0,0,1,0,0|2,0,0]=3 302 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [0,0,0,1,0,0|1,0,0]=2 303 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [0,0,0,1,0,0|2,0,0]=3 304 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [0,0,0,1,0,0|2,0,0]=3 305 B10R2.7 C1=CN=C2NC=CC2=N1 P7478 [0,0,0,1,0,0|1,0,2]=4 306 B10R2.7 C1=CN=C2NC=NC2=N1 K40813 [0,0,0,1,0,0|2,0,1]=4 307 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [0,0,0,1,0,0|2,0,0]=3 308 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [0,0,0,1,0,0|2,0,0]=3 309 B10R2.7 C1=CN=C2NN=CC2=N1 P6228 [0,0,0,1,0,0|2,0,1]=4 310 B10R2.7 C1=CN=C2SC=CC2=N1 T42141 [0,0,0,1,0,0|1,0,2]=4 311 B10R2.7 C1=NC=C2CNCC2=N1 D14103 [0,0,0,1,0,0|3,0,0]=4 312 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [0,0,0,1,0,0|3,0,0]=4 313 B8R1.8 BrCCN1N=CC=N1 B37102 [0,0,0,0,1,0|2,0,0]=3 314 B8R1.8 CCCC1=CC=CS1 P43744 [0,0,0,0,1,0|1,0,0]=2 315 B8R1.8 CCCC1=NC=CN1 P68616 [0,0,0,0,1,0|0,0,1]=2 316 B8R1.8 CCCC1=NC=CS1 P43394 [0,0,0,0,1,0|1,0,0]=2 317 B8R1.8 CCNC1=NC=CS1 E41366 [0,0,0,0,1,0|2,0,0]=3 318 B8R1.8 CCOC1=NC=CS1 E41172 [0,0,0,0,1,0|2,0,0]=3 319 B8R1.8 CCSC1=NNN=N1 E68584 [0,0,0,0,1,0|3,0,0]=4 320 B8R1.8 CNCC1=CC=CS1 M43398 [0,0,0,0,1,0|2,0,0]=3 321 B8R1.8 CNCC1=CSC=C1 M43396 [0,0,0,0,1,0|2,0,0]=3 322 B8R1.8 COCN1C=CN=C1 M41195 [0,0,0,0,1,0|2,0,0]=3 323 B8R1.8 ClCCN1C=CN=C1 C41131 [0,0,0,0,1,0|2,0,0]=3 324 B8R1.8 N#CCC1=CC=CS1 T39260 [0,0,0,0,1,0|2,0,1]=4 325 B8R1.8 N#CCC1=CN=CN1 I7680 [0,0,0,0,1,0|1,0,2]=4 326 B8R1.8 N#CCC1=CSC=C1 T12833 [0,0,0,0,1,0|2,0,1]=4 327 B8R1.8 N#CCC1=NC=CS1 T10963 [0,0,0,0,1,0|2,0,1]=4 328 B8R1.8 N#CCC1=NNC=C1 P12902 [0,0,0,0,1,0|2,0,1]=4 329 B8R1.8 N#CCN1C=CN=C1 K40949 [0,0,0,0,1,0|2,0,1]=4 330 B8R1.8 NCCC1=CC=CS1 T12818 [0,0,0,0,1,0|2,0,0]=3 331 B8R1.8 NCCC1=CN=CS1 T41396 [0,0,0,0,1,0|2,0,0]=3 332 B8R1.8 NCCC1=CSC=C1 T1049 [0,0,0,0,1,0|2,0,0]=3 333 B8R1.8 NCCC1=CSC=C1 T10491 [0,0,0,0,1,0|2,0,0]=3 334 B8R1.8 NCCC1=NC=CN1 K41400 [0,0,0,0,1,0|1,0,1]=3 335 B8R1.8 NCCC1=NN=CS1 T11221 [0,0,0,0,1,0|3,0,0]=4 336 B8R1.8 NCCC1=NN=CS1 T13923 [0,0,0,0,1,0|3,0,0]=4 337 B8R1.8 NCCC1=NNN=N1 T62570 [0,0,0,0,1,0|3,0,0]=4 338 B8R1.8 NCCN1C=CC=C1 P41427 [0,0,0,0,1,0|3,0,0]=4 339 B8R1.8 NCCN1C=CN=C1 K41369 [0,0,0,0,1,0|2,0,0]=3 340 B8R1.8 NCCN1C=CN=C1 K41399 [0,0,0,0,1,0|2,0,0]=3 341 B8R1.8 NCCN1C=NC=N1 T60532 [0,0,0,0,1,0|2,0,0]=3 342 B8R1.8 NNCC1=CC=CS1 H13973 [0,0,0,0,1,0|3,0,0]=4 343 B8R1.8 NNCC1=CSC=C1 H13972 [0,0,0,0,1,0|3,0,0]=4 344 B8R1.8 OCCC1=CC=CS1 T12817 [0,0,0,0,1,0|2,0,0]=3 345 B8R1.8 OCCC1=CN=CN1 K41362 [0,0,0,0,1,0|1,0,1]=3 346 B8R1.8 OCCC1=CNC=N1 I10449 [0,0,0,0,1,0|1,0,1]=3 347 B8R1.8 OCCC1=CNN=C1 P41192 [0,0,0,0,1,0|2,0,0]=3 348 B8R1.8 OCCC1=CSC=C1 T12832 [0,0,0,0,1,0|2,0,0]=3 349 B8R1.8 OCCN1C=CC=N1 P41188 [0,0,0,0,1,0|2,0,0]=3 350 B8R1.8 OCCN1C=CN=C1 K41193 [0,0,0,0,1,0|2,0,0]=3 351 B8R1.8 OCCN1C=CN=N1 T63143 [0,0,0,0,1,0|3,0,0]=4 352 B8R1.8 OCCN1N=CC=N1 T63142 [0,0,0,0,1,0|2,0,0]=3 353 B7R1.3 BrC1=CN=CC=C1 B2746 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.3 BrC1=NC=CN=C1 B40020 [2,0,0,0,0,0|1,0,0]=3 355 B7R1.3 CC1=CC=CN=N1 M0216 [2,0,0,0,0,0|2,0,0]=4 356 B7R1.3 CC1=CN=CN=C1 M41018 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.3 CC1=CN=NC=C1 M3532 [2,0,0,0,0,0|2,0,0]=4 358 B7R1.3 CC1=NC=CC=N1 M68916 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.3 CC1=NC=CN=C1 M61917 [2,0,0,0,0,0|0,0,0]=2 360 B7R1.3 CC1=NC=CN=N1 M36785 [2,0,0,0,0,0|1,0,0]=3 361 B7R1.3 CC1=NC=NC=C1 M7491 [2,0,0,0,0,0|2,0,0]=4 362 B7R1.3 ClC1=CN=CC=C1 C68367 [2,0,0,0,0,0|2,0,0]=4 363 B7R1.3 ClC1=NC=CN=C1 C5165 [2,0,0,0,0,0|1,0,0]=3 364 B7R1.3 FC1=CN=CC=C1 F1892 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.3 FC1=NC=CC=C1 F4862 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.3 FC1=NC=CN=C1 F40023 [2,0,0,0,0,0|1,0,0]=3 367 B7R1.3 IC1=CN=CC=C1 I16635 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.3 IC1=NC=CC=C1 K67594 [2,0,0,0,0,0|2,0,0]=4 369 B7R1.3 IC1=NC=CN=C1 I2669 [2,0,0,0,0,0|1,0,0]=3 370 B7R1.3 NC1=NC=CC=C1 A23973 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.3 NC1=NC=CN=C1 A15535 [2,0,0,0,0,0|1,0,0]=3 372 B7R1.3 NC1=NC=CN=N1 T67661 [2,0,0,0,0,0|2,0,0]=4 373 B7R1.3 O=C1C=NC=CN1 H68630 [2,0,0,0,0,0|1,0,1]=4 374 B7R1.3 OC1=NC=CC=C1 P61113 [2,0,0,0,0,0|2,0,0]=4 375 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [2,0,0,0,0,0|2,0,0]=4 376 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.1 CC1=CN=C(C#N)C=N1 M42468 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [1,1,0,0,0,0|1,0,0]=3 387 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.1 CCC1=CN=C(Cl)N=C1 E11897 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.1 CCC1=CN=C(N)N=C1 E28664 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,1,0,0,0,0|1,0,0]=3 402 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.1 COC1=CN=C(F)C=C1 F42925 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.1 COC1=CN=C(I)C=C1 I5931 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.1 COC1=CN=C(N)C=C1 A10497 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 COC1=NC=C(C)C=C1 M67554 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.1 COC1=NC=C(F)C=C1 F24011 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.1 COC1=NC=C(I)C=C1 K42935 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.1 COC1=NC=C(N)C=C1 A12692 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.1 COC1=NC=C(N)N=C1 M9733 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.1 COC1=NC=C(O)C=C1 H43140 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.1 CSC1=CN=C(Br)C=N1 B40873 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.1 ClCC1=CN=C(Cl)C=N1 C40730 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.1 N#CC1=CN=C(Br)C=N1 B3579 [1,1,0,0,0,0|1,0,1]=4 440 B9R1.1 N#CC1=CN=C(Cl)C=N1 C4890 [1,1,0,0,0,0|1,0,1]=4 441 B9R1.1 N#CC1=NC=C(N)N=C1 A3818 [1,1,0,0,0,0|1,0,1]=4 442 B9R1.1 NC1=CN=C(C=O)C=N1 A63812 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.1 NNC1=CN=C(Cl)C=N1 C14613 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.1 O=CC1=CN=C(Cl)C=N1 C12389 [1,1,0,0,0,0|1,0,1]=4 455 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.2 CC1=CN=CC(C#N)=N1 M42469 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [1,1,0,0,0,0|1,0,1]=4 476 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.2 CCC1=CC(Cl)=NC=N1 C69336 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [1,1,0,0,0,0|1,0,0]=3 483 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [1,1,0,0,0,0|1,0,0]=3 485 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.2 COC1=CC=CC(F)=N1 F67375 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.2 COC1=CC=CC(I)=N1 K42932 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 COC1=CN=CC(Cl)=N1 C2454 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.2 COC1=CN=CC(I)=N1 I2676 [1,1,0,0,0,0|1,0,0]=3 501 B9R1.2 COC1=CN=CC(N)=C1 A14114 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 COC1=CN=CC(N)=C1 A7930 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 COC1=CN=CC(O)=C1 M43136 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.2 COC1=NC(C)=CC=C1 M46380 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.2 COC1=NC(N)=CC=C1 A43190 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 COC1=NC(N)=CN=C1 A8995 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.2 COC1=NC=CC(C)=C1 M46379 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.2 COC1=NC=CC(F)=C1 F42927 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.2 COC1=NC=CC(I)=C1 K60534 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 COC1=NC=CC(N)=C1 M3947 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.2 COC1=NC=CC(O)=C1 M38428 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 N#CC1=CN=CC(Br)=N1 B40486 [1,1,0,0,0,0|1,0,1]=4 526 B9R1.2 N#CC1=CN=CC(Cl)=N1 C4892 [1,1,0,0,0,0|1,0,1]=4 527 B9R1.2 N#CC1=NC(N)=CN=C1 A11545 [1,1,0,0,0,0|1,0,1]=4 528 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 O=CC1=CN=CC(Cl)=N1 C14597 [1,1,0,0,0,0|1,0,1]=4 540 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [1,1,0,0,0,0|0,0,1]=3 554 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,1,0,0,0,0|1,0,0]=3 561 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [1,1,0,0,0,0|0,0,0]=2 564 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,1,0,0,0,0|1,0,0]=3 567 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,1,0,0,0,0|1,0,0]=3 573 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,1,0,0,0,0|1,0,0]=3 574 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [1,1,0,0,0,0|0,0,0]=2 576 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [1,1,0,0,0,0|0,0,0]=2 580 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.6 N=C(N)C1=NC=CN=C1 P60819 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [1,1,0,0,0,0|1,0,1]=4 583 B9R1.6 OB(O)C1=NC=CN=C1 P36936 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.15 C#CC1=NC=CN=C1Cl C63547 [1,1,0,0,0,0|0,0,2]=4 586 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.15 CC1=CC=CN=C1CCl C14758 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.15 CC1=CC=CN=C1CCl C46105 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.15 CC1=CC=CN=C1CN M46460 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.15 CC1=CC=CN=C1CO H46388 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.15 CC1=NC=CN=C1C=O M14617 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.15 CC1=NC=CN=C1CCl C14615 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.15 CC1=NC=CN=C1CN A11549 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.15 CC1=NC=CN=C1CO H14616 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,1,0,0,0,0|1,0,0]=3 603 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.15 CCC1=CN=CN=C1Cl C42985 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 CCC1=NC=CN=C1C E43603 [1,1,0,0,0,0|0,0,0]=2 611 B9R1.15 CCC1=NC=CN=C1Cl C38966 [1,1,0,0,0,0|0,0,0]=2 612 B9R1.15 CCC1=NC=CN=C1N E43328 [1,1,0,0,0,0|0,0,0]=2 613 B9R1.15 CCC1=NC=CNC1=O E43188 [1,1,0,0,0,0|0,0,1]=3 614 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.15 CNC1=CC=CN=C1Cl C42994 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 CNC1=CC=CN=C1N M62813 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.15 CNC1=NC=CC=C1N M43341 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 CNC1=NC=CN=C1N M63361 [1,1,0,0,0,0|1,0,0]=3 621 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 COC1=C(F)C=CC=N1 F42926 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 COC1=C(I)C=CC=N1 K42933 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.15 COC1=C(N)N=CC=C1 A69248 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 COC1=CC=CN=C1Br B4536 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 COC1=CC=CN=C1Cl C24085 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 COC1=CC=CN=C1F F42924 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 COC1=CC=CN=C1I K62151 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 COC1=NC=CC=C1C M46378 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 COC1=NC=CC=C1N A12743 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.15 COC1=NC=CN=C1Br B40912 [1,1,0,0,0,0|1,0,0]=3 634 B9R1.15 COC1=NC=CN=C1C M39278 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.15 COC1=NC=CN=C1Cl C1053 [1,1,0,0,0,0|1,0,0]=3 636 B9R1.15 COC1=NC=CN=C1I I3006 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.15 COC1=NC=CN=C1N M32096 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 CSC1=NC=CN=C1C M43263 [1,1,0,0,0,0|1,0,0]=3 640 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.15 FC1=CC=CN=C1CBr B19661 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.15 FC1=CC=CN=C1CBr B7783 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.15 FC1=CC=CN=C1CCl C13988 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.15 N#CC1=NC=CN=C1Cl C0571 [1,1,0,0,0,0|1,0,1]=4 649 B9R1.15 N#CC1=NC=CN=C1N A40815 [1,1,0,0,0,0|1,0,1]=4 650 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.15 NC1=CC=CN=C1CO A24069 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.15 NC1=NC=CN=C1C=O A0269 [1,1,0,0,0,0|1,0,1]=4 653 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.15 NCC1=CC=CN=C1Cl A10464 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.15 NCC1=CC=CN=C1F F43528 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.15 NCC1=NC=CN=C1Cl C25893 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.15 NCC1=NC=CN=C1Cl C26687 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.15 NNC1=NC=CN=C1Cl C12505 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.15 O=CC1=NC=CN=C1Cl C12693 [1,1,0,0,0,0|1,0,1]=4 666 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 OCC1=CC=CN=C1Br B69414 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.15 OCC1=CC=CN=C1Cl C0580 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.15 OCC1=CC=CN=C1F F42930 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.15 OCC1=NC=CN=C1Cl C1612 [1,1,0,0,0,0|1,0,0]=3 677 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,0,1,0|2,0,0]=4 678 B9R1.7 CCCC1=CC(N)=NN1 P41489 [0,1,0,0,1,0|1,0,0]=3 679 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,0,1,0|1,0,0]=3 680 B9R1.7 CCCC1=NOC(N)=C1 P41430 [0,1,0,0,1,0|1,0,0]=3 681 B9R1.7 CCCN1C=C(Br)C=N1 B9822 [0,1,0,0,1,0|1,0,0]=3 682 B9R1.7 CCOC1=NC(Br)=CS1 B2261 [0,1,0,0,1,0|2,0,0]=4 683 B9R1.7 CCOC1=NNC(Br)=C1 B15683 [0,1,0,0,1,0|2,0,0]=4 684 B9R1.7 CNCC1=CN(C)C=N1 M16460 [0,1,0,0,1,0|1,0,1]=4 685 B9R1.7 COCC1=CC(N)=NN1 A11618 [0,1,0,0,1,0|2,0,0]=4 686 B9R1.7 NC1=CN(CCO)N=C1 A41248 [0,1,0,0,1,0|2,0,0]=4 687 B9R1.7 NC1=NC=C(CCO)S1 A41202 [0,1,0,0,1,0|2,0,0]=4 688 B9R1.7 NC1=NN(CCO)C=C1 A41247 [0,1,0,0,1,0|2,0,0]=4 689 B9R1.7 OCCC1=CC(Br)=NO1 B2471 [0,1,0,0,1,0|2,0,0]=4 690 B9R1.7 OCCN1C=C(Br)C=N1 B9452 [0,1,0,0,1,0|2,0,0]=4 691 B9R1.7 OCCN1C=C(I)C=N1 K41137 [0,1,0,0,1,0|2,0,0]=4 692 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,1,0,0,1,0|1,0,1]=4 693 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,1,0,0,1,0|2,0,0]=4 694 B9R1.12 CCCCC1=CSC=C1 B47048 [0,1,0,0,1,0|1,0,0]=3 695 B9R1.12 CCCCC1=NC=CN1 B43788 [0,1,0,0,1,0|0,0,1]=3 696 B9R1.12 CCOCC1=CC=CO1 E38338 [0,1,0,0,1,0|1,0,0]=3 697 B9R1.12 ClCCCN1C=CN=C1 C43325 [0,1,0,0,1,0|1,0,0]=3 698 B9R1.12 ICCCC1=CC=CS1 K46278 [0,1,0,0,1,0|1,0,0]=3 699 B9R1.12 OCCCC1=CC=CS1 T36724 [0,1,0,0,1,0|1,0,0]=3 700 B9R1.33 CC1=C(CCN)SC=N1 M3229 [0,1,0,0,1,0|2,0,0]=4 701 B9R1.33 CC1=C(CCO)N=CS1 M43392 [0,1,0,0,1,0|2,0,0]=4 702 B9R1.33 CC1=C(CCO)SC=N1 M68882 [0,1,0,0,1,0|2,0,0]=4 703 B9R1.33 CC1=NC=CN1CCN M43556 [0,1,0,0,1,0|2,0,0]=4 704 B9R1.33 CCOC1=C(C)N=CO1 E43381 [0,1,0,0,1,0|2,0,0]=4 705 B9R1.33 NC1=CC=NN1CCO A41249 [0,1,0,0,1,0|2,0,0]=4 706 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.1 CCCOC1=NN=C(Cl)C=C1 C46327 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.1 CCOCC1=CN=C(Cl)C=C1 C62281 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.1 COCOC1=CN=C(Cl)C=C1 C46141 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.1 NCCNC1=NC=C(Br)C=C1 B43690 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.22 COC(=O)C1=CN=C(Br)C=N1 M8884 [0,2,0,0,0,0|1,0,1]=4 741 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 M1561 [0,2,0,0,0,0|1,0,1]=4 742 B11R1.22 COC(=O)C1=NC=C(C)N=C1 M46011 [0,2,0,0,0,0|1,0,1]=4 743 B11R1.22 COC(=O)C1=NC=C(N)N=C1 A0342 [0,2,0,0,0,0|1,0,1]=4 744 B11R1.22 COC(=O)C1=NC=C(N)N=C1 M19340 [0,2,0,0,0,0|1,0,1]=4 745 B11R1.22 COC(=O)C1=NC=C(O)N=C1 M12387 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 A46332 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 A37122 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.81 CCCC1=C(O)C=C(O)C=C1 P50281 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 B64110 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.81 CCOC1=C(C)N=C(N)C=C1 E46978 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.81 CCOC1=C(F)C=C(N)C=N1 E46335 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.81 CCOC1=NC=C(Br)C=C1N B46321 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.83 C#CC1=CC=C(CCC)C=C1 E54480 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.83 CCC1=CN=C(CCO)C=C1 E39550 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.83 CCCC1=CC=C(C=O)C=C1 P52777 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.83 CCOC1=NC=C(C=O)C=C1 E49274 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.83 COC1=CN=C(CCN)C=C1 M49539 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 B49701 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.41 CCNC1=C(C#N)C=CC=N1 E49201 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.86 CC(C)NC1=NC=CC=C1N P47054 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.86 CC1=NC=CN=C1CC(C)C B50395 [0,2,0,0,0,0|0,0,0]=2 765 B11R1.86 O=C(O)CC1=NC=CN=C1Cl C14611 [0,2,0,0,0,0|1,0,1]=4 766 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl S27650 [0,2,0,0,0,0|1,0,1]=4 767 B11R1.182 CCOC1=C(N)N=CC(Br)=N1 A69486 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.222 COC(=O)C1=NC=CN=C1Br B12295 [0,2,0,0,0,0|1,0,1]=4 775 B11R1.222 COC(=O)C1=NC=CN=C1C M23587 [0,2,0,0,0,0|1,0,1]=4 776 B11R1.222 COC(=O)C1=NC=CN=C1Cl C0683 [0,2,0,0,0,0|1,0,1]=4 777 B11R1.222 COC(=O)C1=NC=CN=C1I M37787 [0,2,0,0,0,0|1,0,1]=4 778 B11R1.222 COC(=O)C1=NC=CN=C1N M20687 [0,2,0,0,0,0|1,0,1]=4 779 B11R1.222 COC(=O)C1=NC=CN=C1O M42789 [0,2,0,0,0,0|1,0,1]=4 780 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 B61988 [0,2,0,0,0,0|1,0,1]=4 781 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 C49039 [0,2,0,0,0,0|1,0,1]=4 782 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 M38724 [0,2,0,0,0,0|1,0,1]=4 787 B11R1.23 COC(=O)C1=CN=CC(Cl)=N1 M0687 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.23 COC(=O)C1=CN=CC(I)=N1 M63354 [0,2,0,0,0,0|1,0,1]=4 789 B11R1.23 COC(=O)C1=NC(C)=CN=C1 M46012 [0,2,0,0,0,0|1,0,1]=4 790 B11R1.23 COC(=O)C1=NC(N)=CN=C1 M8739 [0,2,0,0,0,0|1,0,1]=4 791 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=N1 A46570 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.24 CCCOC1=NC(C)=CN=C1 M46976 [0,2,0,0,0,0|0,0,0]=2 794 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.24 OCCNC1=CC=CC(Cl)=N1 C46329 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.34 CCOC1=NC(C)=CC(N)=C1 E46977 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 B46785 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.189 COCC1=CC=CC(C=O)=N1 M49286 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.189 N#CC1=CC(CCO)=NC=C1 H11913 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.7 NCC(F)(F)C1=NC=CC=C1 D64291 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P12649 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.7 OCC(F)(F)C1=NC=CC=C1 D1557 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.12 CCB(CC)C1=CC=CN=C1 D50430 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,2,0,0,0,0|1,0,0]=3 811 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.16 CCOC(=O)C1=CN=CC=C1 E68695 [0,2,0,0,0,0|1,0,1]=4 813 B11R1.16 CCOC(=O)C1=NC=CC=C1 E67964 [0,2,0,0,0,0|1,0,1]=4 814 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [0,2,0,0,0,0|0,0,1]=3 815 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [0,2,0,0,0,0|1,0,0]=3 820 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [0,2,0,0,0,0|1,0,0]=3 835 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.28 NCCSSC1=NC=CC=C1 P37126 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.28 OCCC#CC1=NC=CC=C1 P51757 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,2,0,0,0,0|1,0,1]=4 846 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,2,0,0,0,0|1,0,1]=4 847 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,2,0,0,0,0|1,0,1]=4 848 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [0,2,0,0,0,0|0,0,1]=3 849 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,2,0,0,0,0|1,0,1]=4 855 B11R1.509 CC(C)(C)OC1=CN=CC=C1 B50336 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.509 CC(C)(C)OC1=NC=CC=C1 B50335 [0,2,0,0,0,0|2,0,0]=4 857 B9R1.14 CCN1C=CN=C1C=O E43212 [0,0,1,1,0,0|2,0,0]=4 858 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [1,0,0,1,0,0|2,0,0]=4 859 B9R2.2 C1=CC(C2CC2)=NN1 C3288 [0,0,0,1,1,0|1,0,0]=3 860 B9R2.2 C1=CN(C2CC2)N=C1 C43183 [0,0,0,1,1,0|1,0,0]=3 861 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [0,0,0,1,1,0|0,0,1]=3 862 B9R2.2 C1=NC(C2CC2)=CN1 C11863 [0,0,0,1,1,0|0,0,1]=3 863 B9R2.2 C1=NNC=C1C2CC2 C43184 [0,0,0,1,1,0|1,0,0]=3 864 B9R2.3 C1=CN2CCCC2=N1 D63557 [0,0,0,1,1,0|0,0,1]=3 865 B9R2.3 C1=NN2CCCC2=C1 D16430 [0,0,0,1,1,0|1,0,0]=3 866 B9R2.3 C1=NNC2=C1CCC2 C15794 [0,0,0,1,1,0|1,0,0]=3 867 B9R2.3 C1=NNC2=C1CNC2 T12684 [0,0,0,1,1,0|2,0,0]=4 868 B9R2.3 C1=NNC2=C1CNC2 T31019 [0,0,0,1,1,0|2,0,0]=4 869 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [0,1,0,1,0,0|2,0,0]=4 870 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [0,1,0,1,0,0|1,0,0]=3 871 B11R2.34 BrC1=CN=C(C2CC2)N=C1 B15587 [0,1,0,1,0,0|2,0,0]=4 872 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [0,1,0,1,0,0|1,0,0]=3 873 B11R2.34 BrC1=NC=C(C2CC2)N=C1 B64845 [0,1,0,1,0,0|0,0,0]=2 874 B11R2.34 ClC1=NN=C(C2CC2)C=C1 C45620 [0,1,0,1,0,0|2,0,0]=4 875 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [0,1,0,1,0,0|1,0,0]=3 876 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [0,1,0,1,0,0|2,0,0]=4 877 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [0,1,0,1,0,0|1,0,0]=3 878 B11R2.34 NC1=CN=C(C2CC2)N=C1 A14646 [0,1,0,1,0,0|2,0,0]=4 879 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [0,1,0,1,0,0|1,0,0]=3 880 B11R2.34 O=C1C=CC(C2CC2)=NN1 C45982 [0,1,0,1,0,0|2,0,0]=4 881 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [0,1,0,1,0,0|2,0,0]=4 882 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [0,1,0,1,0,0|1,0,0]=3 883 B11R2.36 BrC1=CN=C2CNCC2=C1 B11679 [0,1,0,1,0,0|2,0,0]=4 884 B11R2.36 BrC1=CN=C2CNCC2=C1 B11680 [0,1,0,1,0,0|2,0,0]=4 885 B11R2.36 BrC1=CN=C2NCCC2=C1 B12242 [0,1,0,1,0,0|2,0,0]=4 886 B11R2.36 BrC1=CN=C2NCCC2=C1 B30154 [0,1,0,1,0,0|2,0,0]=4 887 B11R2.36 BrC1=NC2=C(C=C1)NCC2 B45617 [0,1,0,1,0,0|2,0,0]=4 888 B11R2.36 ClC1=CN=C2NCCC2=C1 C45621 [0,1,0,1,0,0|2,0,0]=4 889 B11R2.36 ClC1=NC2=C(C=C1)CCC2 C48882 [0,1,0,1,0,0|1,0,0]=3 890 B11R2.36 ClC1=NC2=C(C=C1)CNC2 C25491 [0,1,0,1,0,0|2,0,0]=4 891 B11R2.36 ClC1=NC2=C(C=N1)CCC2 C37147 [0,1,0,1,0,0|2,0,0]=4 892 B11R2.36 ClC1=NC=C2CCNC2=C1 C38106 [0,1,0,1,0,0|2,0,0]=4 893 B11R2.36 FC1=CC2=C(C=C1)CCC2 F51669 [0,1,0,1,0,0|2,0,0]=4 894 B11R2.36 FC1=CN=C2CNCC2=C1 F18831 [0,1,0,1,0,0|2,0,0]=4 895 B11R2.36 IC1=CC2=C(C=C1)CCC2 K64448 [0,1,0,1,0,0|2,0,0]=4 896 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,1,0,1,0,0|2,0,0]=4 897 B11R2.10 CC1=CC2=NC=CN=C2N1 M60205 [0,1,0,1,0,0|0,0,2]=4 898 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,1,0,1,0,0|2,0,0]=4 899 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,1,0,1,0,0|2,0,0]=4 900 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [0,1,0,1,0,0|1,0,0]=3 901 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,1,0,1,0,0|2,0,0]=4 902 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,1,0,1,0,0|2,0,0]=4 903 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,1,0,1,0,0|2,0,0]=4 904 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,1,0,1,0,0|2,0,0]=4 905 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [0,1,0,1,0,0|1,0,0]=3 906 B11R2.20 C1=CC2=C(C=N1)CCCN2 T13324 [0,1,0,1,0,0|1,0,0]=3 907 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [0,1,0,1,0,0|1,0,0]=3 908 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [0,1,0,1,0,0|1,0,0]=3 909 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [0,1,0,1,0,0|1,0,0]=3 910 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [0,1,0,1,0,0|1,0,0]=3 911 B11R2.20 C1=CC2=C(N=C1)NCCO2 D45987 [0,1,0,1,0,0|2,0,0]=4 912 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [0,1,0,1,0,0|1,0,0]=3 913 B11R2.20 C1=CN=C2CCCCC2=N1 T39429 [0,1,0,1,0,0|0,0,0]=2 914 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [0,1,0,1,0,0|1,0,0]=3 915 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [0,1,0,1,0,0|1,0,0]=3 916 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [0,1,0,1,0,0|1,0,0]=3 917 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [0,1,0,1,0,0|1,0,0]=3 918 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [0,1,0,1,0,0|1,0,0]=3 919 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [0,1,0,1,0,0|1,0,0]=3 920 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [0,1,0,1,0,0|1,0,0]=3 921 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [0,1,0,1,0,0|1,0,0]=3 922 B11R2.20 C1=CN=C2NCCNC2=C1 T46338 [0,1,0,1,0,0|2,0,0]=4 923 B11R2.20 C1=CN=C2OCCNC2=C1 D13943 [0,1,0,1,0,0|2,0,0]=4 924 B11R2.20 C1=CN=C2OCCOC2=C1 D32153 [0,1,0,1,0,0|2,0,0]=4 925 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [0,1,0,1,0,0|2,0,0]=4 926 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [0,1,0,1,0,0|2,0,0]=4 927 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [0,1,0,1,0,0|2,0,0]=4 928 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [0,1,0,1,0,0|2,0,0]=4 929 B11R2.55 BrC1=C(C2CC2)N=CC=C1 B48876 [0,1,0,1,0,0|1,0,0]=3 930 B11R2.55 BrC1=C(C2CC2)N=CN=C1 B45616 [0,1,0,1,0,0|2,0,0]=4 931 B11R2.55 BrC1=NC=CC=C1C2CC2 B48874 [0,1,0,1,0,0|1,0,0]=3 932 B11R2.55 ClC1=C(C2CC2)C=NC=C1 C48885 [0,1,0,1,0,0|1,0,0]=3 933 B11R2.55 ClC1=NC=CC=C1C2CC2 C48880 [0,1,0,1,0,0|1,0,0]=3 934 B11R2.55 FC1=NC=CC=C1C2CC2 C48886 [0,1,0,1,0,0|1,0,0]=3 935 B11R2.55 NC1=C(C2CC2)C=CC=C1 C37591 [0,1,0,1,0,0|2,0,0]=4 936 B11R2.55 NC1=NC=CC=C1C2CC2 C46639 [0,1,0,1,0,0|1,0,0]=3 937 B11R2.55 O=C1NC=CC=C1C2CC2 C49264 [0,1,0,1,0,0|1,0,1]=4 938 B11R2.106 BrC1=C2CCCC2=CC=C1 B10979 [0,1,0,1,0,0|2,0,0]=4 939 B11R2.106 BrC1=C2CCNC2=CN=C1 B60365 [0,1,0,1,0,0|2,0,0]=4 940 B11R2.106 BrC1=C2CCNC2=NC=C1 B19352 [0,1,0,1,0,0|2,0,0]=4 941 B11R2.106 BrC1=C2NCCC2=CN=C1 B8070 [0,1,0,1,0,0|2,0,0]=4 942 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [0,1,0,1,0,0|2,0,0]=4 943 B11R2.106 ClC1=C2CCCC2=NC=C1 C48883 [0,1,0,1,0,0|1,0,0]=3 944 B11R2.106 ClC1=C2CCNC2=NC=C1 C30162 [0,1,0,1,0,0|2,0,0]=4 945 B11R2.106 ClC1=NC=CC2=C1CCN2 C14624 [0,1,0,1,0,0|2,0,0]=4 946 B11R2.106 ClC1=NC=CC2=C1CCN2 C5708 [0,1,0,1,0,0|2,0,0]=4 947 B11R2.106 ClC1=NC=NC2=C1CCC2 C13916 [0,1,0,1,0,0|2,0,0]=4 948 B11R2.106 FC1=C2CCOC2=NC=C1 F30045 [0,1,0,1,0,0|2,0,0]=4 949 B11R2.106 IC1=C2CCCC2=CC=C1 K51671 [0,1,0,1,0,0|2,0,0]=4 950 B11R2.106 O=C1NC=NC2=C1CCC2 T14805 [0,1,0,1,0,0|2,0,0]=4 951 B11R2.106 OC1=C2CCCC2=CC=C1 K49868 [0,1,0,1,0,0|2,0,0]=4 952 B11R2.106 OC1=C2CCNC2=NC=C1 D62930 [0,1,0,1,0,0|2,0,0]=4 953 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,1,0,1,0,0|2,0,0]=4 954 B11R2.35 BrC1=CC(C2CC2)=CC=C1 B67707 [0,1,0,1,0,0|2,0,0]=4 955 B11R2.35 BrC1=CC(C2CC2)=NC=C1 B37241 [0,1,0,1,0,0|1,0,0]=3 956 B11R2.35 BrC1=CN=CC(C2CC2)=C1 B37616 [0,1,0,1,0,0|1,0,0]=3 957 B11R2.35 NC1=CC(C2CC2)=CC=C1 C49975 [0,1,0,1,0,0|2,0,0]=4 958 B11R2.35 NC1=CC(C2CC2)=CN=C1 C46641 [0,1,0,1,0,0|1,0,0]=3 959 B11R2.1 CC1=NNC2=NC=CN=C12 M1752 [0,1,0,1,0,0|1,0,1]=4 960 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [0,1,0,1,0,0|0,0,0]=2 961 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,1,0,1,0,0|2,0,0]=4 962 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,1,0,1,0,0|2,0,0]=4 963 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,1,0,1,0,0|2,0,0]=4 964 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,1,0,1,0,0|1,0,0]=3 965 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [0,1,0,1,0,0|2,0,0]=4 966 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,1,0,1,0,0|1,0,1]=4 967 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [0,1,0,1,0,0|1,0,1]=4 968 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,1,0,1,0,0|1,0,1]=4 969 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,1,0,1,0,0|1,0,1]=4 970 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,1,0,1,0,0|2,0,0]=4 971 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,1,0,1,0,0|2,0,0]=4 972 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,1,0,1,0,0|2,0,0]=4 973 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,1,0,1,0,0|1,0,0]=3 974 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,1,0,1,0,0|2,0,0]=4 975 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,1,0,1,0,0|2,0,0]=4 976 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [0,1,0,1,0,0|2,0,0]=4 977 B11R2.40 NC1(C2=CC=CN=C2)CC1 P49656 [0,1,0,1,0,0|1,0,0]=3 978 B11R2.40 NC1(C2=NC=CC=C2)CC1 P61647 [0,1,0,1,0,0|1,0,0]=3 979 B11R2.40 NC1(C2=NC=CC=N2)CC1 P14441 [0,1,0,1,0,0|2,0,0]=4 980 B11R2.40 NC1(C2=NC=CC=N2)CC1 P31233 [0,1,0,1,0,0|2,0,0]=4 981 B11R2.40 NC1(C2=NC=CN=C2)CC1 P14585 [0,1,0,1,0,0|0,0,0]=2 982 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [0,1,0,1,0,0|0,0,0]=2 983 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [0,1,0,1,0,0|1,0,0]=3 984 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,0,1,0|2,0,0]=4 985 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,1,0|1,0,1]=4 986 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,1,0|0,0,1]=3 987 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,1,0|2,0,0]=4 988 B7R1.1 CCN1C=CN=N1 E40219 [1,0,0,0,1,0|2,0,0]=4 989 B7R1.1 CCN1C=NC=N1 E40218 [1,0,0,0,1,0|1,0,0]=3 990 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,1,0|2,0,0]=4 991 B7R1.1 CNC1=NC=NS1 M32356 [1,0,0,0,1,0|2,0,0]=4 992 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,1,0|2,0,0]=4 993 B7R1.1 COC1=CNN=C1 M20056 [1,0,0,0,1,0|2,0,0]=4 994 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,1,0|2,0,0]=4 995 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,1,0|2,0,0]=4 996 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,1,0|2,0,0]=4 997 B7R1.1 ClCC1=CN=CS1 C32421 [1,0,0,0,1,0|2,0,0]=4 998 B7R1.1 ClCC1=CNC=N1 C2088 [1,0,0,0,1,0|1,0,1]=4 999 B7R1.1 ClCC1=CSC=N1 C2334 [1,0,0,0,1,0|2,0,0]=4 1000 B7R1.1 ClCC1=NC=CO1 C40107 [1,0,0,0,1,0|2,0,0]=4 1001 B7R1.1 ClCC1=NOC=N1 C24041 [1,0,0,0,1,0|2,0,0]=4 1002 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,1,0|1,0,1]=4 1003 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,1,0|2,0,0]=4 1004 B7R1.1 NCC1=CC=NO1 K40323 [1,0,0,0,1,0|2,0,0]=4 1005 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,1,0|1,0,1]=4 1006 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,1,0|2,0,0]=4 1007 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,1,0|2,0,0]=4 1008 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,1,0|2,0,0]=4 1009 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,1,0|2,0,0]=4 1010 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,1,0|2,0,0]=4 1011 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,0,1,0|1,0,1]=4 1012 B7R1.1 NCC1=CNC=N1 K40332 [1,0,0,0,1,0|1,0,1]=4 1013 B7R1.1 NCC1=CNN=C1 A10475 [1,0,0,0,1,0|2,0,0]=4 1014 B7R1.1 NCC1=CNN=C1 P17334 [1,0,0,0,1,0|2,0,0]=4 1015 B7R1.1 NCC1=CNN=C1 P20267 [1,0,0,0,1,0|2,0,0]=4 1016 B7R1.1 NCC1=COC=N1 A40322 [1,0,0,0,1,0|2,0,0]=4 1017 B7R1.1 NCC1=COC=N1 O7924 [1,0,0,0,1,0|2,0,0]=4 1018 B7R1.1 NCC1=COC=N1 X11296 [1,0,0,0,1,0|2,0,0]=4 1019 B7R1.1 NCC1=CON=C1 A14706 [1,0,0,0,1,0|2,0,0]=4 1020 B7R1.1 NCC1=CON=C1 I29534 [1,0,0,0,1,0|2,0,0]=4 1021 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,0,1,0|2,0,0]=4 1022 B7R1.1 NCC1=CSC=N1 T13924 [1,0,0,0,1,0|2,0,0]=4 1023 B7R1.1 NCC1=CSC=N1 T29521 [1,0,0,0,1,0|2,0,0]=4 1024 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,1,0|1,0,1]=4 1025 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,1,0|1,0,1]=4 1026 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,1,0|2,0,0]=4 1027 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,1,0|2,0,0]=4 1028 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,1,0|2,0,0]=4 1029 B7R1.1 NCC1=NNC=C1 P9792 [1,0,0,0,1,0|2,0,0]=4 1030 B7R1.1 NCC1=NOC=C1 I29536 [1,0,0,0,1,0|2,0,0]=4 1031 B7R1.1 NCC1=NOC=C1 I7943 [1,0,0,0,1,0|2,0,0]=4 1032 B7R1.1 NCC1=NSC=C1 I15218 [1,0,0,0,1,0|2,0,0]=4 1033 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,1,0|2,0,0]=4 1034 B7R1.1 OCC1=CC=NO1 K40159 [1,0,0,0,1,0|2,0,0]=4 1035 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,1,0|1,0,1]=4 1036 B7R1.1 OCC1=CN=CO1 X14033 [1,0,0,0,1,0|2,0,0]=4 1037 B7R1.1 OCC1=CN=CS1 T2166 [1,0,0,0,1,0|2,0,0]=4 1038 B7R1.1 OCC1=CNC=N1 H2067 [1,0,0,0,1,0|1,0,1]=4 1039 B7R1.1 OCC1=CNN=C1 H1729 [1,0,0,0,1,0|2,0,0]=4 1040 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,0,1,0|2,0,0]=4 1041 B7R1.1 OCC1=COC=N1 O7923 [1,0,0,0,1,0|2,0,0]=4 1042 B7R1.1 OCC1=CON=C1 H14705 [1,0,0,0,1,0|2,0,0]=4 1043 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,0,1,0|2,0,0]=4 1044 B7R1.1 OCC1=CSC=N1 T2165 [1,0,0,0,1,0|2,0,0]=4 1045 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,1,0|1,0,1]=4 1046 B7R1.1 OCC1=NC=CO1 X14019 [1,0,0,0,1,0|2,0,0]=4 1047 B7R1.1 OCC1=NC=CS1 H3028 [1,0,0,0,1,0|2,0,0]=4 1048 B7R1.1 OCC1=NC=NN1 T39912 [1,0,0,0,1,0|2,0,0]=4 1049 B7R1.1 OCC1=NNC=C1 H7696 [1,0,0,0,1,0|2,0,0]=4 1050 B7R1.1 OCC1=NOC=C1 I11321 [1,0,0,0,1,0|2,0,0]=4 1051 B7R1.1 OCN1C=CC=N1 P9800 [1,0,0,0,1,0|2,0,0]=4 1052 B7R1.1 OCN1C=NC=N1 T39855 [1,0,0,0,1,0|2,0,0]=4