0 B9R1.1 BrCC1=CN=C(Br)C=C1 SPC-u373 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.1 C#CC1=CC=C(Cl)C=C1 SPC-j149 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.1 C#CC1=CC=C(N)C=C1 SPC-t770 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.1 C=CC1=CN=C(F)C=C1 SPC-n214 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.1 C=CC1=NC=C(Cl)C=C1 SPC-t050 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.1 CC1=CC=C(CN)N=N1 SPC-j102 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.1 CC1=CN=C(CCl)C=N1 SPC-t784 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.1 CC1=CN=C(CCl)N=C1 SPC-k974 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.1 CC1=CN=C(CO)N=C1 SPC-k972 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.1 CC1=NC=C(C#N)C=C1 SPC-t730 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.1 CC1=NC=C(C=O)C=C1 SPC-g684 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.1 CC1=NC=C(CCl)C=N1 SPC-p604 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.1 CC1=NC=C(CN)C=C1 SPC-j627 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.1 CC1=NC=C(CN)C=N1 SPC-j625 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.1 CC1=NC=C(CO)C=N1 SPC-n694 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.1 CCC1=NC=C(Br)C=C1 SPC-n190 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.1 CCC1=NC=C(N)C=N1 SPC-p224 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.1 COC1=CN=C(F)C=C1 SPC-v061 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.1 COC1=CN=C(N)C=C1 SPC-g838 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.1 COC1=NC=C(Br)C=C1 SPC-j898 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.1 COC1=NC=C(N)C=C1 SPC-g246 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.1 ClC1=CN=C(CBr)C=C1 SPC-p092 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.1 ClCC1=CN=C(Cl)N=C1 SPC-k982 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.1 ClCC1=NC=C(Cl)C=N1 SPC-q562 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.1 FC1=NC=C(CCl)C=C1 SPC-h520 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.1 N#CC1=CN=C(Cl)C=C1 SPC-j880 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.1 N#CC1=CN=C(N)C=C1 SPC-g378 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.1 N#CC1=NC=C(Br)C=C1 SPC-g024 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.1 N#CC1=NC=C(N)C=C1 SPC-r175 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.1 NC1=NC=C(C=O)C=C1 SPC-h376 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.1 NC1=NC=C(CO)C=C1 SPC-j263 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.1 NC1=NC=C(CO)C=N1 SPC-r246 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.1 NCC1=CN=C(Cl)N=C1 SPC-n685 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.1 NCC1=CN=C(F)C=C1 SPC-n809 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.1 NCC1=CNC(=O)C=C1 SPC-j609 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.1 NCC1=NC=C(Br)C=C1 SPC-n793 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.1 NCC1=NC=C(Br)C=N1 SPC-k789 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.1 NCC1=NC=C(Br)C=N1 SPC-u086 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.1 NCC1=NC=C(Cl)C=N1 SPC-u268 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.1 NCC1=NC=C(F)C=N1 SPC-n797 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.1 NNC1=CC=C(F)C=C1 SPC-k289 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.1 O=CC1=CN=C(Br)C=C1 SPC-j262 [0,0,0,0,0,0|2,0,2]=4 42 B9R1.1 O=CC1=NC=C(O)C=C1 SPC-u413 [0,0,0,0,0,0|1,0,2]=3 43 B9R1.1 OCC1=CN=C(Cl)C=N1 SPC-j255 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.1 OCC1=CN=C(Cl)N=C1 SPC-j253 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.1 OCC1=NC=C(Br)C=N1 SPC-r245 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.1 OCC1=NC=C(Cl)C=N1 SPC-k980 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.1 OCC1=NC=C(F)C=C1 SPC-h241 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.1 OCC1=NC=C(F)C=N1 SPC-k787 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.1 OCC1=NN=C(Cl)C=C1 SPC-m095 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.2 C#CC1=CC=NC=C1 SPC-g714 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 ClCC1=CN=CN=C1 SPC-g979 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 ClCC1=NC=CC=N1 SPC-g783 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 ClCC1=NC=CN=C1 SPC-i698 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 ClCC1=NN=CC=C1 SPC-j100 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 NCC1=CC=CN=N1 SPC-j018 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 NCC1=CC=CN=N1 SPC-q241 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 NCC1=CC=NC=C1 SPC-k269 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 NCC1=CN=CN=C1 SPC-m828 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 NCC1=CN=NC=C1 SPC-j016 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 NCC1=NC=CC=N1 SPC-g482 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 NCC1=NC=CN=C1 SPC-j017 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 NCC1=NC=NC=C1 SPC-j019 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 NCC1=NC=NC=C1 SPC-j020 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 NNC1=CC=CN=C1 SPC-g939 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 NNC1=CC=NC=C1 SPC-g941 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 O=CC1=CN=CC=C1 SPC-g255 [1,0,0,0,0,0|1,0,2]=4 67 B8R1.2 OCC1=CN=CC=C1 SPC-g084 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.2 OCC1=CN=CN=C1 SPC-g744 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 OCC1=CN=NC=C1 SPC-j088 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 OCC1=NC=CC=N1 SPC-g700 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 OCC1=NC=CN=C1 SPC-g622 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.2 OCC1=NC=NC=C1 SPC-g987 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 OCC1=NN=CC=C1 SPC-g951 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.3 BrC1=CN=C(I)C=C1 SPC-k218 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.3 BrC1=NC=C(I)C=C1 SPC-s842 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.3 CC1=CC=C(N)N=N1 SPC-h103 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.3 CC1=CN=C(Br)C=C1 SPC-g114 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.3 CC1=CN=C(Br)C=N1 SPC-v711 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.3 CC1=CN=C(Cl)N=C1 SPC-g406 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.3 CC1=CN=C(F)C=C1 SPC-s869 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.3 CC1=CN=C(N)C=N1 SPC-n222 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.3 CC1=NC=C(Br)C=C1 SPC-p658 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.3 CC1=NC=C(Br)C=N1 SPC-g647 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.3 CC1=NC=C(N)C=C1 SPC-n264 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.3 CC1=NC=C(N)C=N1 SPC-j252 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.3 CC1=NC=C(O)C=N1 SPC-r244 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.3 CC1=NN=C(Br)C=C1 SPC-j827 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.3 CC1=NN=C(Cl)C=C1 SPC-g259 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.3 CC1=NN=C(I)C=C1 SPC-j592 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.3 CC1=NN=C(O)C=C1 SPC-g136 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.3 CC1=NN=C(O)C=C1 SPC-t081 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.3 ClC1=NC=C(I)C=C1 SPC-t655 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.3 FC1=CN=C(Br)C=C1 SPC-s838 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.3 FC1=CN=C(Cl)C=C1 SPC-s857 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.3 FC1=NC=C(Br)C=C1 SPC-p654 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.3 NC1=CN=C(F)C=C1 SPC-t078 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.3 NC1=NC=C(Cl)C=C1 SPC-t406 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.3 NC1=NC=C(F)C=C1 SPC-g172 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.3 NC1=NC=C(O)C=N1 SPC-h124 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.3 OC1=CN=C(Br)C=C1 SPC-g192 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.3 OC1=CN=C(Br)N=C1 SPC-h179 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.3 OC1=CN=C(Cl)C=C1 SPC-g273 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.3 OC1=CN=C(Cl)N=C1 SPC-g467 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.1 COCC1=NC=C(Br)C=N1 SPC-q608 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.1 FC1=CC=C(CCBr)C=C1 SPC-g391 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.1 N#CCC1=CN=C(Br)C=C1 SPC-v119 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.1 N#CCC1=NC=C(Br)C=C1 SPC-j675 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.1 NCCC1=CC=C(N)C=C1 SPC-r402 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.1 NCCC1=NC=C(Br)C=C1 SPC-m937 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.1 NNCC1=CC=C(Br)C=C1 SPC-j051 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.1 NNCC1=CC=C(Cl)C=C1 SPC-m836 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.1 NNCC1=CC=C(F)C=C1 SPC-j049 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.1 OCCC1=NC=C(Br)C=C1 SPC-p087 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.3 C#CC1=CN=C(OC)C=C1 SPC-k103 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.3 COC1=CN=C(C#N)C=C1 SPC-k938 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.3 COC1=CN=C(CCl)C=C1 SPC-m285 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.3 COC1=CN=C(CCl)N=C1 SPC-r241 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.3 COC1=CN=C(CO)C=C1 SPC-n798 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.3 COC1=NC=C(C=O)C=C1 SPC-n262 [0,1,0,0,0,0|1,0,2]=4 120 B10R1.3 COC1=NC=C(CN)C=C1 SPC-j639 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.3 COC1=NC=C(CN)C=N1 SPC-u784 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.3 COC1=NC=C(CO)C=C1 SPC-j652 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.3 COC1=NC=C(CO)C=N1 SPC-m769 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.3 N#CC1=CN=C(CN)C=C1 SPC-p734 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.3 O=CC1=CC=C(CCl)C=C1 SPC-u418 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.13 CC(C)C1=NC=C(N)C=C1 SPC-p736 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 SPC-k101 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.13 C[C@H](O)C1=CN=C(Cl)N=C1 SPC-n881 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.13 FC(F)C1=NC=C(Br)C=C1 SPC-d139 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.13 NC(=O)C1=NC=C(O)C=C1 SPC-u527 [0,1,0,0,0,0|1,0,2]=4 131 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SPC-g569 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.13 NC1=CN=C(C(F)F)C=C1 SPC-d147 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.13 NC1=NC=C(B(O)O)C=C1 SPC-h371 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SPC-j431 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SPC-g051 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SPC-p809 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SPC-g079 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SPC-t053 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SPC-g279 [0,1,0,0,0,0|1,0,1]=3 140 B10R1.13 O=C(O)C1=NN=C(O)C=C1 SPC-g471 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.13 O=C1C=CC(C(=O)O)=CO1 SPC-k150 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.13 OB(O)C1=CC=C(F)C=C1 SPC-q618 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.13 OB(O)C1=CC=C(O)C=C1 SPC-s693 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.13 OB(O)C1=CN=C(Br)C=C1 SPC-s705 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.13 OB(O)C1=NC=C(F)C=C1 SPC-s700 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.13 OC1=CN=C(C(F)F)C=C1 SPC-d143 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.13 OC1=CN=C(C(F)F)N=C1 SPC-d123 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.25 CCC1=NC=C(Br)C=C1N SPC-n189 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.25 CCN1C=CC(Br)=CC1=O SPC-s322 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.25 CCN1C=CC(N)=CC1=O SPC-k155 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.25 COC1=C(F)C=C(Br)C=C1 SPC-g047 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 SPC-u337 [0,1,0,0,0,0|1,0,2]=4 153 B10R1.25 NC1=CC(Br)=CN=C1CO SPC-n732 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.25 NC1=CC(Cl)=CN=C1CO SPC-s673 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.25 NCC1=NC=C(Br)C=C1F SPC-n792 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.25 NCC1=NC=C(Br)C=C1F SPC-r173 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 SPC-g540 [0,1,0,0,0,0|1,0,2]=4 158 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 SPC-g415 [0,1,0,0,0,0|1,0,2]=4 159 B10R1.25 OCC1=CC=C(Cl)N=C1Cl SPC-m583 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.25 OCC1=NC=C(Br)C=C1F SPC-j550 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.176 CN1C=C(CN)C=CC1=O SPC-r170 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.176 CN1C=C(CO)C=CC1=O SPC-i680 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.176 CN1C=CC(CN)=CC1=O SPC-j135 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.176 CN1C=CC(CO)=CC1=O SPC-j275 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.176 COC1=CC(I)=C(N)C=C1 SPC-r017 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 SPC-s765 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 SPC-t001 [0,1,0,0,0,0|1,0,2]=4 168 B8R1.1 CC1=CNC(CO)=N1 SPC-q878 [0,0,0,0,1,0|3,0,0]=4 169 B8R1.1 CN1C=C(CO)C=N1 SPC-j412 [0,0,0,0,1,0|3,0,0]=4 170 B8R1.1 CN1C=CC(CO)=N1 SPC-n647 [0,0,0,0,1,0|3,0,0]=4 171 B8R1.1 NC1=CC(CO)=NN1 SPC-n731 [0,0,0,0,1,0|3,0,0]=4 172 B8R1.1 NCC1=CC(Br)=CS1 SPC-t617 [0,0,0,0,1,0|3,0,0]=4 173 B8R1.1 NCC1=CC=C(Br)S1 SPC-n794 [0,0,0,0,1,0|3,0,0]=4 174 B8R1.1 NCC1=CC=C(Cl)S1 SPC-r372 [0,0,0,0,1,0|3,0,0]=4 175 B8R1.1 NCC1=CC=C(F)S1 SPC-m163 [0,0,0,0,1,0|3,0,0]=4 176 B8R1.1 NCC1=CSC(Br)=C1 SPC-s699 [0,0,0,0,1,0|3,0,0]=4 177 B8R1.1 NCC1=CSC(Cl)=C1 SPC-j590 [0,0,0,0,1,0|3,0,0]=4 178 B8R1.1 OCC1=CC=C(Cl)S1 SPC-j709 [0,0,0,0,1,0|2,0,0]=3 179 B8R1.1 OCC1=CC=C(F)S1 SPC-m162 [0,0,0,0,1,0|2,0,0]=3 180 B8R1.1 OCC1=NC(Br)=CS1 SPC-j950 [0,0,0,0,1,0|3,0,0]=4 181 B8R1.1 OCC1=NC=C(Br)N1 SPC-s697 [0,0,0,0,1,0|3,0,0]=4 182 B8R1.1 OCC1=NC=C(Br)S1 SPC-h007 [0,0,0,0,1,0|3,0,0]=4 183 B8R1.1 OCC1=NC=C(Cl)S1 SPC-j786 [0,0,0,0,1,0|3,0,0]=4 184 B8R1.1 OCC1=NNC(Br)=C1 SPC-s698 [0,0,0,0,1,0|3,0,0]=4 185 B7R1.3 BrC1=CC=NC=C1 SPC-k219 [2,0,0,0,0,0|2,0,0]=4 186 B7R1.3 CC1=CC=CN=N1 SPC-g427 [2,0,0,0,0,0|2,0,0]=4 187 B7R1.3 CC1=CN=NC=C1 SPC-g520 [2,0,0,0,0,0|2,0,0]=4 188 B7R1.3 CC1=NC=CC=N1 SPC-u374 [2,0,0,0,0,0|2,0,0]=4 189 B7R1.3 CC1=NC=NC=C1 SPC-g053 [2,0,0,0,0,0|2,0,0]=4 190 B7R1.3 FC1=NC=CC=C1 SPC-m992 [2,0,0,0,0,0|2,0,0]=4 191 B7R1.3 OC1=CC=NC=C1 SPC-g124 [2,0,0,0,0,0|1,0,0]=3 192 B7R1.3 OC1=CN=CN=C1 SPC-k979 [2,0,0,0,0,0|2,0,0]=4 193 B7R1.3 [O-]C1=CC=CC=C1 SPC-k243 [2,0,0,0,0,0|0,0,1]=3 194 B7R1.3 [S-]C1=CC=CC=C1 SPC-t743 [2,0,0,0,0,0|0,1,0]=3 195 B7R1.3 [SiH3]C1=CC=CC=C1 SPC-r404 [2,0,0,0,0,0|0,1,0]=3 196 B9R1.2 CC1=CC(CCl)=CN=C1 SPC-s888 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.2 CC1=CC(CO)=CN=C1 SPC-j744 [1,1,0,0,0,0|1,0,0]=3 198 B9R1.2 CC1=CC(CO)=NC=N1 SPC-k988 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.2 CC1=CC(CO)=NN=C1 SPC-n800 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.2 CC1=CC=NC(CO)=N1 SPC-k971 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.2 CCC1=CC(Br)=NC=C1 SPC-v193 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.2 CCC1=NC=CC(N)=C1 SPC-p223 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.2 ClCC1=CC(Cl)=CN=C1 SPC-h899 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.2 ClCC1=CC(Cl)=NC=C1 SPC-g732 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.2 FC1=CC(CCl)=CN=C1 SPC-m549 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.2 NC1=NC=CC(CO)=C1 SPC-j636 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.2 NCC1=CC(=O)NC=C1 SPC-u408 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.2 NCC1=CC(Cl)=NC=C1 SPC-h235 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.2 NCC1=CC(F)=CN=C1 SPC-k106 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.2 NCC1=NC=CC(Br)=C1 SPC-j733 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.2 NCC1=NC=CC(Br)=C1 SPC-t389 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.2 NCC1=NC=CC(Cl)=C1 SPC-n779 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.2 NCC1=NC=CC(Cl)=C1 SPC-v340 [1,1,0,0,0,0|2,0,0]=4 214 B9R1.2 O=C1C=C(CO)C=CN1 SPC-j416 [1,1,0,0,0,0|1,0,0]=3 215 B9R1.2 OCC1=CC(Br)=CN=C1 SPC-g623 [1,1,0,0,0,0|1,0,0]=3 216 B9R1.2 OCC1=CC(Cl)=NC=N1 SPC-k900 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.2 OCC1=CC(F)=CN=C1 SPC-h492 [1,1,0,0,0,0|1,0,0]=3 218 B9R1.2 OCC1=NC=CC(Br)=C1 SPC-h210 [1,1,0,0,0,0|1,0,0]=3 219 B9R1.6 CC(C)C1=NC=CC=C1 SPC-g429 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [1,1,0,0,0,0|0,0,0]=2 221 B9R1.6 OB(O)C1=CC=NC=C1 SPC-g497 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.6 OB(O)C1=CN=CC=C1 SPC-g050 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.15 C#CC1=C(N)C=CC=C1 SPC-m355 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.15 CC1=C(CBr)C=CC=N1 SPC-s887 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.15 CC1=C(CCl)C=CN=C1 SPC-p437 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.15 CC1=C(CN)C=NC=C1 SPC-m008 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.15 CC1=C(CO)C=CN=C1 SPC-n741 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.15 CC1=C(CO)C=NC=C1 SPC-r211 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.15 CC1=NC=CN=C1CO SPC-m052 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-i884 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-r184 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.15 CCC1=C(Br)C=NC=C1 SPC-p344 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.15 ClCC1=CC=CN=C1Cl SPC-h092 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.15 NCC1=C(Cl)C=CC=N1 SPC-u229 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.15 NCC1=C(F)C=CC=N1 SPC-j562 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.15 NCC1=C(F)C=CC=N1 SPC-t905 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.15 O=C1NC=CC=C1CO SPC-n030 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.15 O=CC1=C(I)C=CC=C1 SPC-g445 [1,1,0,0,0,0|0,0,2]=4 243 B9R1.15 OCC1=C(F)C=CC=N1 SPC-h122 [1,1,0,0,0,0|1,0,0]=3 244 B9R1.15 OCC1=C(F)C=CN=C1 SPC-n782 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.15 OCC1=C(F)C=NC=C1 SPC-j545 [1,1,0,0,0,0|1,0,0]=3 246 B9R1.15 OCC1=CC=CN=C1Cl SPC-g018 [1,1,0,0,0,0|1,0,0]=3 247 B9R1.15 OCC1=NC=CN=C1Cl SPC-m584 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.69 CC1=C(Br)C=C(N)C=N1 SPC-g928 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.69 CC1=C(Br)C=C(O)C=N1 SPC-k554 [1,1,0,0,0,0|1,0,0]=3 250 B9R1.69 CC1=C(N)N=C(Br)C=C1 SPC-n248 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 SPC-m586 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.69 CC1=CC(F)=C(Cl)C=C1 SPC-s769 [1,1,0,0,0,0|1,0,0]=3 253 B9R1.69 CC1=CC(I)=C(N)N=C1 SPC-n069 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.69 CC1=CC(O)=C(F)C=C1 SPC-t646 [1,1,0,0,0,0|1,0,0]=3 255 B9R1.69 CC1=CC(O)=NN=C1O SPC-g653 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.69 CC1=CC=C(Cl)N=C1Cl SPC-r185 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.69 CC1=CC=C(N)N=C1Br SPC-p783 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.69 CC1=CN=C(Br)C(Br)=C1 SPC-s195 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.69 CC1=NC=C(Br)C=C1Cl SPC-m067 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.69 CC1=NC=C(Br)C=C1N SPC-p656 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.69 CC1=NC=C(Cl)C=C1N SPC-k130 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.69 CN1C=C(O)C=CC1=O SPC-r215 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.69 CN1C=CC(Br)=CC1=O SPC-g719 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.69 CN1C=CC(N)=CC1=O SPC-g957 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.69 ClC1=CC(Cl)=C(Br)C=C1 SPC-k260 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.69 NC1=C(I)C=C(Cl)C=C1 SPC-k105 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.69 OC1=C(F)C=C(F)C=C1 SPC-s208 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 SPC-n667 [0,1,0,0,1,0|2,0,0]=4 269 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 SPC-k870 [0,1,0,0,1,0|2,0,0]=4 270 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 SPC-m936 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SPC-s967 [0,2,0,0,0,0|2,0,0]=4 272 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 SPC-j674 [0,2,0,0,0,0|2,0,0]=4 273 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 SPC-m376 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.22 COC(=O)C1=NC=C(O)C=C1 SPC-j676 [0,2,0,0,0,0|1,0,1]=4 275 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 SPC-g221 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 SPC-h139 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 SPC-r008 [0,2,0,0,0,0|2,0,0]=4 278 B11R1.83 COC1=CC=C(CNN)C=C1 SPC-j055 [0,2,0,0,0,0|1,0,0]=3 279 B11R1.192 OCCC1=CC(Br)=C(Cl)N=C1 SPC-p086 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 SPC-t403 [0,2,0,0,0,0|1,0,1]=4 281 B11R1.3 COC1=CN=C(C(=O)O)C=C1 SPC-k940 [0,2,0,0,0,0|1,0,1]=4 282 B11R1.3 COC1=NC=C(B(O)O)C=C1 SPC-j894 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.3 COC1=NC=C(C(=O)O)C=C1 SPC-t080 [0,2,0,0,0,0|1,0,1]=4 284 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 SPC-k202 [0,2,0,0,0,0|1,0,1]=4 285 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 SPC-t672 [0,2,0,0,0,0|1,0,0]=3 286 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 SPC-m416 [0,2,0,0,0,0|0,0,2]=4 287 B11R1.3 OCC1=CC=C(B(O)O)C=C1 SPC-n859 [0,2,0,0,0,0|0,0,0]=2 288 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SPC-h020 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SPC-m758 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SPC-t952 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SPC-u837 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.19 OC1=CN=C(C(F)(F)F)C=C1 SPC-d144 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 SPC-k301 [0,2,0,0,0,0|1,0,1]=4 294 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 SPC-g472 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 SPC-p924 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 SPC-k263 [0,2,0,0,0,0|1,0,1]=4 297 B11R1.14 CC1=CC(C#N)=CC(Cl)=C1O SPC-j003 [0,2,0,0,0,0|1,0,1]=4 298 B11R2.36 BrC1=CC2=C(C=C1)CNC2 SPC-m564 [0,1,0,1,0,0|2,0,0]=4 299 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 SPC-p754 [0,1,0,1,0,0|1,0,1]=4 300 B11R2.36 FC1=CC2=C(C=C1)CNC2 SPC-k235 [0,1,0,1,0,0|2,0,0]=4 301 B11R2.36 NC1=CC2=C(C=C1)OCC2 SPC-s196 [0,1,0,1,0,0|2,0,0]=4 302 B11R2.36 OC1=CC2=C(C=C1)CNC2 SPC-m407 [0,1,0,1,0,0|1,0,0]=3 303 B11R2.36 OC1=CC2=NNC=C2C=C1 SPC-g583 [0,1,0,1,0,0|1,0,1]=4 304 B7R1.1 OCC1=CNC=N1 SPC-s789 [1,0,0,0,1,0|2,0,0]=4 305 B7R1.1 OCC1=CNN=C1 SPC-j657 [1,0,0,0,1,0|2,0,0]=4 306 B7R1.1 OCC1=COC=N1 SPC-k823 [1,0,0,0,1,0|2,0,0]=4 307 B7R1.1 OCC1=NNC=C1 SPC-j656 [1,0,0,0,1,0|2,0,0]=4 308 B7R1.1 OCC1=NOC=C1 SPC-k850 [1,0,0,0,1,0|2,0,0]=4