0 B10R1.1 FC1=CC=C(CCBr)C=C1 SPC-g391 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.1 N#CCC1=CN=C(Br)C=C1 SPC-v119 [0,0,0,0,0,0|1,1,2]=4 2 B10R1.1 N#CCC1=NC=C(Br)C=C1 SPC-j675 [0,0,0,0,0,0|1,1,2]=4 3 B10R1.1 NCCC1=CC=C(N)C=C1 SPC-r402 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.1 NCCC1=NC=C(Br)C=C1 SPC-m937 [0,0,0,0,0,0|1,1,0]=2 5 B10R1.1 NNCC1=CC=C(Br)C=C1 SPC-j051 [0,0,0,0,0,0|1,1,0]=2 6 B10R1.1 NNCC1=CC=C(Cl)C=C1 SPC-m836 [0,0,0,0,0,0|1,1,0]=2 7 B10R1.1 NNCC1=CC=C(F)C=C1 SPC-j049 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.1 OCCC1=NC=C(Br)C=C1 SPC-p087 [0,0,0,0,0,0|2,1,0]=3 9 B9R1.1 BrCC1=CN=C(Br)C=C1 SPC-u373 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.1 C#CC1=CC=C(Cl)C=C1 SPC-j149 [1,0,0,0,0,0|0,1,2]=4 11 B9R1.1 C#CC1=CC=C(N)C=C1 SPC-t770 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.1 C=CC1=CN=C(F)C=C1 SPC-n214 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.1 CC1=CC=C(CN)N=N1 SPC-j102 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.1 CC1=NC=C(CN)C=C1 SPC-j627 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.1 CC1=NC=C(CN)C=N1 SPC-j625 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.1 CCC1=NC=C(Br)C=C1 SPC-n190 [1,0,0,0,0,0|1,1,0]=3 17 B9R1.1 CCC1=NC=C(N)C=N1 SPC-p224 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.1 COC1=CN=C(F)C=C1 SPC-v061 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.1 COC1=CN=C(N)C=C1 SPC-g838 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.1 COC1=NC=C(Br)C=C1 SPC-j898 [1,0,0,0,0,0|2,1,0]=4 21 B9R1.1 COC1=NC=C(N)C=C1 SPC-g246 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 ClC1=CN=C(CBr)C=C1 SPC-p092 [1,0,0,0,0,0|2,1,0]=4 23 B9R1.1 FC1=NC=C(CCl)C=C1 SPC-h520 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.1 NC1=NC=C(CO)C=C1 SPC-j263 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 NCC1=CN=C(Cl)N=C1 SPC-n685 [1,0,0,0,0,0|2,1,0]=4 26 B9R1.1 NCC1=CN=C(F)C=C1 SPC-n809 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.1 NCC1=CNC(=O)C=C1 SPC-j609 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.1 NCC1=NC=C(Br)C=C1 SPC-n793 [1,0,0,0,0,0|1,1,0]=3 29 B9R1.1 NCC1=NC=C(Br)C=N1 SPC-k789 [1,0,0,0,0,0|2,1,0]=4 30 B9R1.1 NCC1=NC=C(Br)C=N1 SPC-u086 [1,0,0,0,0,0|2,1,0]=4 31 B9R1.1 NCC1=NC=C(Cl)C=N1 SPC-u268 [1,0,0,0,0,0|2,1,0]=4 32 B9R1.1 NCC1=NC=C(F)C=N1 SPC-n797 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.1 NNC1=CC=C(F)C=C1 SPC-k289 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.1 OCC1=NC=C(F)C=C1 SPC-h241 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 OCC1=NC=C(F)C=N1 SPC-k787 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 NCCC1=NC=CC=N1 SPC-p100 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 NCCC1=NC=NC=C1 SPC-u400 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 SPC-m936 [0,1,0,0,0,0|0,1,2]=4 43 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SPC-s967 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 SPC-m376 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 SPC-g221 [0,1,0,0,0,0|2,1,0]=4 46 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 SPC-h139 [0,1,0,0,0,0|1,1,0]=3 47 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 SPC-r008 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.83 COC1=CC=C(CNN)C=C1 SPC-j055 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.192 OCCC1=CC(Br)=C(Cl)N=C1 SPC-p086 [0,1,0,0,0,0|2,1,0]=4 50 B11R2.36 BrC1=CC2=C(C=C1)C=NN2 SPC-g486 [0,0,0,1,0,0|1,1,1]=4 51 B11R2.36 BrC1=CC2=C(C=C1)CNC2 SPC-m564 [0,0,0,1,0,0|2,1,0]=4 52 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 SPC-g469 [0,0,0,1,0,0|0,1,2]=4 53 B11R2.36 CC1=CC2=C(C=C1)C=NN2 SPC-k344 [0,0,0,1,0,0|2,0,1]=4 54 B11R2.36 ClC1=CC2=C(C=C1)C=NN2 SPC-g972 [0,0,0,1,0,0|1,1,1]=4 55 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 SPC-g122 [0,0,0,1,0,0|0,1,2]=4 56 B11R2.36 FC1=CC2=C(C=C1)C=NN2 SPC-j450 [0,0,0,1,0,0|1,0,1]=3 57 B11R2.36 FC1=CC2=C(C=C1)CNC2 SPC-k235 [0,0,0,1,0,0|2,0,0]=3 58 B11R2.36 FC1=CC2=C(C=CN2)C=C1 SPC-m474 [0,0,0,1,0,0|0,0,2]=3 59 B11R2.36 FC1=NC2=C(C=CN2)C=C1 SPC-m320 [0,0,0,1,0,0|1,0,2]=4 60 B11R2.36 IC1=CC2=C(C=C1)C=NN2 SPC-j452 [0,0,0,1,0,0|1,1,1]=4 61 B11R2.36 IC1=CC2=C(C=CN2)C=C1 SPC-h225 [0,0,0,1,0,0|0,1,2]=4 62 B11R2.36 NC1=CC2=C(C=C1)OCC2 SPC-s196 [0,0,0,1,0,0|3,0,0]=4 63 B11R2.36 OC1=CC2=C(C=C1)CNC2 SPC-m407 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.2 NCC1=CC=CN=N1 SPC-j018 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 NCC1=CC=CN=N1 SPC-q241 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 NCC1=CC=NC=C1 SPC-k269 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 NCC1=CN=CN=C1 SPC-m828 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 NCC1=CN=NC=C1 SPC-j016 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 NCC1=NC=CC=N1 SPC-g482 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.2 NCC1=NC=CN=C1 SPC-j017 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.2 NCC1=NC=NC=C1 SPC-j019 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.2 NCC1=NC=NC=C1 SPC-j020 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 NNC1=CC=CN=C1 SPC-g939 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.2 NNC1=CC=NC=C1 SPC-g941 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.2 OCC1=CN=CC=C1 SPC-g084 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.3 CC1=CN=C(Br)C=C1 SPC-g114 [2,0,0,0,0,0|1,1,0]=4 77 B8R1.3 CC1=CN=C(F)C=C1 SPC-s869 [2,0,0,0,0,0|1,0,0]=3 78 B8R1.3 CC1=NC=C(Br)C=C1 SPC-p658 [2,0,0,0,0,0|1,1,0]=4 79 B8R1.3 CC1=NC=C(N)C=C1 SPC-n264 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.3 FC1=CN=C(Br)C=C1 SPC-s838 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.3 FC1=CN=C(Cl)C=C1 SPC-s857 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.3 FC1=NC=C(Br)C=C1 SPC-p654 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.3 NC1=CN=C(F)C=C1 SPC-t078 [2,0,0,0,0,0|1,0,0]=3 84 B8R1.3 NC1=NC=C(Cl)C=C1 SPC-t406 [2,0,0,0,0,0|1,1,0]=4 85 B8R1.3 NC1=NC=C(F)C=C1 SPC-g172 [2,0,0,0,0,0|1,0,0]=3 86 B10R1.3 COC1=NC=C(CN)C=C1 SPC-j639 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.3 N#CC1=CN=C(CN)C=C1 SPC-p734 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.3 O=CC1=CC=C(CCl)C=C1 SPC-u418 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.13 CC(C)C1=NC=C(N)C=C1 SPC-p736 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 SPC-k101 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.13 N=C(N)C1=CN=C(F)C=C1 SPC-j790 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.13 N=C(N)C1=NC=C(F)C=C1 SPC-k125 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.13 OB(O)C1=CC=C(F)C=C1 SPC-q618 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.25 CCC1=NC=C(Br)C=C1N SPC-n189 [1,1,0,0,0,0|1,1,0]=4 95 B10R1.25 CCN1C=CC(Br)=CC1=O SPC-s322 [1,1,0,0,0,0|1,1,0]=4 96 B10R1.25 CCN1C=CC(N)=CC1=O SPC-k155 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.25 COC1=C(F)C=C(Br)C=C1 SPC-g047 [1,1,0,0,0,0|1,1,0]=4 98 B10R1.25 NCC1=NC=C(Br)C=C1F SPC-n792 [1,1,0,0,0,0|1,1,0]=4 99 B10R1.25 NCC1=NC=C(Br)C=C1F SPC-r173 [1,1,0,0,0,0|1,1,0]=4 100 B10R1.176 CN1C=C(CN)C=CC1=O SPC-r170 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.176 CN1C=CC(CN)=CC1=O SPC-j135 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.176 COC1=CC(I)=C(N)C=C1 SPC-r017 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 SPC-s765 [1,1,0,0,0,0|1,1,0]=4 104 B10R1.4 NCCC1=C(Br)C=CC=N1 SPC-k820 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.4 NNCC1=C(Br)C=CC=C1 SPC-i879 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.4 NNCC1=C(Cl)C=CC=C1 SPC-j053 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-j050 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-t622 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.4 OCCC1=C(F)C=CC=N1 SPC-p080 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.10 NCCC1=CC=CC(Cl)=C1 SPC-j893 [1,1,0,0,0,0|0,0,0]=2 111 B10R1.10 NNCC1=CC=CC(Cl)=C1 SPC-j052 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.10 NNCC1=CC=CC(F)=C1 SPC-g946 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.17 OCCCC1=NC=CC=C1 SPC-g488 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 SPC-g090 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.20 O[C@H](C1=CC=C(Br)C=C1)C(F)F SPC-d082 [0,2,0,0,0,0|1,1,0]=4 117 B12R1.20 O[C@H](C1=CC=C(Cl)C=C1)C(F)F SPC-d079 [0,2,0,0,0,0|1,1,0]=4 118 B12R1.544 FC1=C(F)C(F)=C(CCBr)C=C1 SPC-n880 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.1095 FC1=CC(F)=C(CCBr)C(F)=C1 SPC-u499 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.1123 FC1=CC(F)=C(CCBr)C=C1F SPC-u509 [0,2,0,0,0,0|1,0,0]=3 121 B10R2.7 C1=CC2=C(C=C1)CNC2 SPC-t877 [1,0,0,1,0,0|2,0,0]=4 122 B10R2.7 C1=CC2=C(C=C1)NN=C2 SPC-m915 [1,0,0,1,0,0|1,0,1]=4 123 B10R2.7 C1=CN=C2NCCC2=C1 SPC-g235 [1,0,0,1,0,0|1,0,0]=3 124 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 SPC-m130 [0,1,0,1,0,0|0,1,0]=3 125 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 SPC-m132 [0,1,0,1,0,0|0,1,0]=3 126 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 SPC-n242 [0,1,0,1,0,0|1,1,0]=4 127 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 SPC-u395 [0,1,0,1,0,0|1,1,0]=4 128 B12R2.24 BrC1=CN=C2CCNCC2=C1 SPC-j855 [0,1,0,1,0,0|1,1,0]=4 129 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 SPC-t955 [0,1,0,1,0,0|1,1,0]=4 130 B12R2.24 OC1=CC2=C(C=C1)CNCC2 SPC-n927 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 SPC-n746 [0,1,0,1,0,0|1,0,0]=3 132 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 SPC-g292 [0,1,0,1,0,0|1,1,0]=4 133 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 SPC-g641 [0,1,0,1,0,0|1,1,0]=4 134 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 SPC-s397 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 SPC-a275 [0,1,0,1,0,0|1,1,0]=4 136 B12R2.2302 FC1=CC=C(C2COC2)C=C1 SPC-a274 [0,1,0,1,0,0|1,0,0]=3 137 B12R2.2302 NC1=CC=C(C2COC2)C=C1 SPC-a276 [0,1,0,1,0,0|2,0,0]=4 138 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 SPC-u070 [0,1,0,1,0,0|1,0,1]=4 139 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 SPC-g349 [0,1,0,1,0,0|0,1,1]=4 140 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SPC-p794 [0,1,0,1,0,0|0,1,1]=4 141 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NN2 SPC-p362 [0,1,0,1,0,0|1,0,1]=4 142 B12R2.246 FC1=CC(Br)=C2C=CNC2=C1 SPC-p513 [0,1,0,1,0,0|0,0,2]=4 143 B12R2.100 FC1=C(Br)C=C2C=CNC2=C1 SPC-m242 [0,1,0,1,0,0|0,0,2]=4 144 B12R2.100 NC1=C(F)C=C2NC=CC2=C1 SPC-k537 [0,1,0,1,0,0|0,0,2]=4 145 B8R1.1 NCC1=CC(Br)=CS1 SPC-t617 [1,0,0,0,1,0|1,1,0]=4 146 B8R1.1 NCC1=CC=C(Br)S1 SPC-n794 [1,0,0,0,1,0|1,1,0]=4 147 B8R1.1 NCC1=CC=C(Cl)S1 SPC-r372 [1,0,0,0,1,0|1,1,0]=4 148 B8R1.1 NCC1=CC=C(F)S1 SPC-m163 [1,0,0,0,1,0|1,0,0]=3 149 B8R1.1 NCC1=CSC(Br)=C1 SPC-s699 [1,0,0,0,1,0|1,1,0]=4 150 B8R1.1 NCC1=CSC(Cl)=C1 SPC-j590 [1,0,0,0,1,0|1,1,0]=4 151 B8R1.1 OCC1=CC=C(F)S1 SPC-m162 [1,0,0,0,1,0|2,0,0]=4 152 B8R1.8 NCCC1=CSC=C1 SPC-m942 [1,0,0,0,1,0|1,0,0]=3