0 B10R1.30 CC1=CC=C(N)C(CO)=N1 SPC-n733 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.30 CC1=NC(C#N)=C(Br)C=C1 SPC-k099 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.30 CC1=NC(C=O)=C(F)C=C1 SPC-r230 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.30 COC1=C(Br)C=NC(Cl)=N1 SPC-m528 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.30 COC1=C(N)C=NC(Cl)=N1 SPC-k662 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.30 N#CC1=C(F)C=CC(Br)=C1 SPC-t721 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.30 N#CC1=CC(Br)=CN=C1O SPC-j374 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 SPC-r401 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.30 NC1=C(CO)C=C(Br)C=C1 SPC-j974 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 SPC-v716 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.2 CC1=CC(CCl)=CN=C1 SPC-s888 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 CC1=CC(CO)=CN=C1 SPC-j744 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.2 CC1=CC=CC(C#N)=N1 SPC-s864 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.2 CCC1=CC(Br)=NC=C1 SPC-v193 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 CCC1=NC=CC(N)=C1 SPC-p223 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 COC1=CC(Cl)=NN=C1 SPC-m014 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 COC1=CN=CC(N)=C1 SPC-r210 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.2 COC1=NC(N)=CC=N1 SPC-j039 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.2 COC1=NC=CC(Br)=N1 SPC-u474 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.2 COC1=NC=CC(Cl)=N1 SPC-k434 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.2 COC1=NC=CC(N)=C1 SPC-g039 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.15 C#CC1=C(N)C=CC=C1 SPC-m355 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-i884 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-r184 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 CCC1=C(Br)C=NC=C1 SPC-p344 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 COC1=NC=CC=C1N SPC-t771 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.15 N#CC1=CC=CN=C1O SPC-j373 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 O=CC1=C(I)C=CC=C1 SPC-g445 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 O=CC1=NC=CC=C1O SPC-m154 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.69 CC1=C(Br)C=CC(Br)=N1 SPC-s269 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.69 CC1=C(N)C=CC(Br)=N1 SPC-t749 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.69 CC1=CC(Br)=CN=C1N SPC-t722 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.69 CC1=CC(Br)=NC=C1Br SPC-s211 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 CC1=CC(Br)=NC=C1N SPC-p779 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.69 CC1=CC(C)=NN=C1Cl SPC-h554 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.69 CC1=CC(C)=NNC1=O SPC-p465 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 SPC-m586 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 CC1=CC(Cl)=NC=C1N SPC-g398 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.69 CC1=CC(F)=C(Cl)C=C1 SPC-s769 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.69 CC1=CC(I)=C(N)N=C1 SPC-n069 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.69 CC1=CC(N)=CN=C1Br SPC-t068 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 CC1=CC(O)=C(F)C=C1 SPC-t646 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.69 CC1=CC(O)=NN=C1O SPC-g653 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 CC1=CN=C(Br)C(Br)=C1 SPC-s195 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 CN1C=C(Br)C=CC1=O SPC-h085 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.69 CN1C=C(N)C=CC1=O SPC-h059 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.69 CN1C=C(O)C=CC1=O SPC-r215 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.69 ClC1=CC(Cl)=C(Br)C=C1 SPC-k260 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 NC1=C(I)C=C(Cl)C=C1 SPC-k105 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.69 OC1=C(F)C=C(F)C=C1 SPC-s208 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.69 OC1=C(I)C=NC(Cl)=C1 SPC-j924 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.69 OC1=CC(Br)=CN=C1Cl SPC-t038 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.8 COC1=C(O)C(C)=CC(Br)=C1 SPC-m592 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 SPC-g542 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.277 COC1=C(Br)C=C(N)C(C)=C1 SPC-r019 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.280 COC1=CC(C=O)=CN=C1F SPC-u826 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.280 COC1=NC(OC)=C(Br)C=N1 SPC-s362 [0,1,0,0,0,0|3,0,0]=4 57 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 SPC-m415 [0,0,0,1,0,0|3,0,0]=4 58 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 SPC-p754 [0,0,0,1,0,0|2,0,1]=4 59 B11R2.36 CC1=CC2=C(C=C1)C=NN2 SPC-k344 [0,0,0,1,0,0|3,0,0]=4 60 B11R2.36 CC1=CC2=C(C=C1)NC=C2 SPC-m390 [0,0,0,1,0,0|2,0,1]=4 61 B11R2.36 NC1=CC2=C(C=C1)OCC2 SPC-s196 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.22 COC1=NN(C)C=C1Br SPC-s991 [0,0,0,0,1,0|3,0,0]=4 63 B8R1.4 CC1=CC(Br)=CN=C1 SPC-g551 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.4 CC1=CC(C)=NC=N1 SPC-n162 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.4 CC1=CC(Cl)=NC=C1 SPC-g113 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.4 CC1=CC(O)=CN=C1 SPC-t060 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.4 CC1=CC=CC(Cl)=N1 SPC-s860 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.4 CC1=NC=CC(Br)=C1 SPC-n114 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.4 CC1=NC=CC(N)=C1 SPC-m998 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.4 CC1=NC=CC(O)=C1 SPC-r417 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.4 OC1=CC(Br)=CN=C1 SPC-t046 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.4 OC1=CC(Cl)=NC=C1 SPC-s856 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.5 CC1=C(Br)C=CC=N1 SPC-s912 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 CC1=C(Br)C=CN=C1 SPC-g505 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.5 CC1=C(N)C=NC=C1 SPC-t017 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.5 CC1=C(O)C=CC=N1 SPC-g264 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.5 CC1=CC=CN=C1Br SPC-g509 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.5 CC1=CC=CN=C1Cl SPC-k262 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.5 NC1=CC=CN=C1O SPC-k107 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.5 O=C1C=COC=C1O SPC-n061 [2,0,0,0,0,0|1,0,1]=4 81 B8R1.5 OC1=CC=CN=C1Br SPC-p191 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.5 OC1=CC=CN=C1F SPC-r423 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.3 CC1=CN=C(Br)C=C1 SPC-g114 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.3 CC1=CN=C(F)C=C1 SPC-s869 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.3 CC1=NC=C(Br)C=C1 SPC-p658 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.3 CC1=NC=C(N)C=C1 SPC-n264 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.3 CC1=NC=C(O)C=N1 SPC-r244 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.3 CC1=NN=C(O)C=C1 SPC-g136 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.3 CC1=NN=C(O)C=C1 SPC-t081 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.3 OC1=CN=C(Br)C=C1 SPC-g192 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.3 OC1=CN=C(Cl)C=C1 SPC-g273 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.2 COC1=C(Br)C(N)=CC=N1 SPC-k829 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.2 COC1=C(Cl)C(N)=CC=C1 SPC-p195 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.2 COC1=C(I)C(N)=CC=N1 SPC-p390 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.2 COC1=CC=CC(Br)=C1O SPC-k449 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.10 NCCC1=CC=CC(Cl)=C1 SPC-j893 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.172 COC1=CC(C=O)=CN=C1 SPC-g844 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.172 COC1=CN=CC(CN)=C1 SPC-n799 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.172 COC1=NC(CN)=CC=N1 SPC-r247 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.172 COC1=NC(CN)=NC=C1 SPC-k559 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.172 COC1=NC(CO)=CC=N1 SPC-k902 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.172 COC1=NC=CC(C=O)=C1 SPC-h062 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.172 COC1=NC=CC(CCl)=C1 SPC-s960 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.172 COC1=NC=CC(CN)=C1 SPC-j640 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.176 COC1=CC(Br)=C(C)N=C1 SPC-j935 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.176 COC1=CC(F)=C(Br)C=N1 SPC-t441 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.176 COC1=CC(I)=C(N)C=C1 SPC-r017 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.176 COC1=CC(N)=C(Br)C=N1 SPC-n191 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.20 COC1=C(C=O)C=CC=N1 SPC-g793 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.20 COC1=C(CN)C=CN=C1 SPC-r235 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.20 COC1=NC=CC=C1CN SPC-j644 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.20 COC1=NC=CC=C1CO SPC-j643 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.25 COC1=C(Cl)C=C(N)N=C1 SPC-t002 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.25 COC1=C(F)C=C(Br)C=C1 SPC-g047 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.25 COC1=NC=C(Br)C=C1N SPC-g377 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.25 COC1=NC=C(Br)C=C1O SPC-r179 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.245 COC1=C(C)NC=CC1=O SPC-n071 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.245 COC1=C(Cl)C=CN=C1C SPC-m314 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.245 N#CC1=C(Cl)C=CC=C1O SPC-k123 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.245 O=CC1=C(Cl)C=CC=C1O SPC-p206 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.22 CC1=CC(Br)=CC(C)=C1I SPC-p655 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.22 CC1=CC(I)=CC(Cl)=C1O SPC-k338 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.118 CC1=CC(Br)=C(Cl)C=C1N SPC-t590 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.118 CC1=CC(N)=C(I)C=C1Br SPC-k425 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.119 CC1=C(Br)C=CC(N)=C1O SPC-t735 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 SPC-p575 [0,2,0,0,0,0|0,0,1]=3 127 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O SPC-k091 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=N1 SPC-r190 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.354 COC(=O)C1=CC(Br)=CN=C1O SPC-g475 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.354 COC(=O)C1=CC(Br)=NC=C1O SPC-q100 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.14 COC(=O)C1=CC=C(N)O1 SPC-k486 [0,0,1,1,0,0|2,0,0]=4 132 B10R1.14 COC(=O)C1=NC=C(C)O1 SPC-n447 [0,0,1,1,0,0|2,0,0]=4 133 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 SPC-u370 [0,1,0,1,0,0|1,0,1]=4