0 B9R1.1 CC1=CC=C(C#N)N=N1 4296AE [0,0,0,0,0,0|4,0,0]=4 1 B9R1.1 CC1=CC=C(CO)N=N1 3088AC [0,0,0,0,0,0|4,0,0]=4 2 B9R1.1 CC1=CN=C(CCl)N=C1 5238AA [0,0,0,0,0,0|4,0,0]=4 3 B9R1.1 CC1=CN=C(NN)C=N1 W3597 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.1 CC1=NC=C(CBr)C=N1 1051AC [0,0,0,0,0,0|4,0,0]=4 5 B9R1.1 CC1=NC=C(CCl)C=N1 5239AA [0,0,0,0,0,0|4,0,0]=4 6 B9R1.1 CC1=NC=C(CN)C=N1 6982AA [0,0,0,0,0,0|4,0,0]=4 7 B9R1.1 CCC1=CC=C(Cl)N=N1 2240AJ [0,0,0,0,0,0|4,0,0]=4 8 B9R1.1 CCC1=CN=C(Cl)C=C1 1065AA [0,0,0,0,0,0|3,0,0]=3 9 B9R1.1 CCC1=NC=C(Br)C=N1 W8957 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.1 CCC1=NC=C(C)C=C1 9500AA [0,0,0,0,0,0|2,0,0]=2 11 B9R1.1 CNC1=NC=C(N)C=N1 1831AJ [0,0,0,0,0,0|4,0,0]=4 12 B9R1.1 COC1=CNC(=O)C=N1 6210AA [0,0,0,0,0,0|3,0,0]=3 13 B9R1.1 CSC1=CN=C(N)C=C1 2168AC [0,0,0,0,0,0|2,1,0]=3 14 B9R1.1 CSC1=NC=C(N)C=N1 6318AJ [0,0,0,0,0,0|3,1,0]=4 15 B9R1.1 ClC1=CN=C(CBr)C=C1 9045AB [0,0,0,0,0,0|4,0,0]=4 16 B9R1.1 FC1=NC=C(CBr)C=C1 Y6935 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.1 NC1=CC=C(C=O)C=C1 L628 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.1 NCC1=CC=C(Br)N=C1 4185AA [0,0,0,0,0,0|4,0,0]=4 19 B9R1.1 NCC1=CN=C(Cl)C=C1 8881AH [0,0,0,0,0,0|4,0,0]=4 20 B9R1.1 NCC1=CN=C(N)C=C1 4936AD [0,0,0,0,0,0|4,0,0]=4 21 B9R1.1 NNC1=NC=C(F)C=C1 Y2066 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.1 O=CC1=CC=[N+]([O-])C=C1 0867AQ [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 COC1=NC=CN=N1 2841AB [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 ClCC1=CC=CC=N1 V2306 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 NNC1=CC=CN=C1 Z1664 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 OCC1=CC=NC=C1 D932 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 OCC1=NC=CC=C1 D931 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.3 C[N+]1=CC=C(N)C=C1 9467AE [1,0,0,0,0,0|2,0,0]=3 29 B8R1.3 SC1=CC=C(Cl)C=N1 2810AE [1,0,0,0,0,0|2,1,0]=4 30 B10R1.1 C=COC1=CC=C(N)C=C1 7199AC [0,1,0,0,0,0|1,0,1]=3 31 B10R1.1 CC1=CC=C(N=[N+]=[N-])C=C1 0054AQ [0,1,0,0,0,0|2,0,0]=3 32 B10R1.1 CC1=NC=C(CNN)C=C1 0436AA [0,1,0,0,0,0|3,0,0]=4 33 B10R1.1 CC1=NC=C(N=C=O)C=C1 Z2986 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.1 CNCC1=CN=C(Cl)C=C1 9683AL [0,1,0,0,0,0|3,0,0]=4 35 B10R1.1 COCC1=NN=C(Cl)C=C1 Z2718 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.1 CSCC1=CN=C(Cl)C=C1 7608AC [0,1,0,0,0,0|2,1,0]=4 37 B10R1.1 NCCC1=CN=C(Br)C=C1 5186AC [0,1,0,0,0,0|3,0,0]=4 38 B10R1.1 NCCC1=CN=C(Cl)C=C1 7778AB [0,1,0,0,0,0|3,0,0]=4 39 B10R1.1 O=CNC1=CC=C(Br)C=C1 1242AQ [0,1,0,0,0,0|2,0,1]=4 40 B10R1.1 [N-]=[N+]=NC1=CC=C(Br)C=C1 0041AQ [0,1,0,0,0,0|3,0,0]=4 41 B10R1.1 [N-]=[N+]=NC1=CC=C(Cl)C=C1 0043AQ [0,1,0,0,0,0|3,0,0]=4 42 B10R1.1 [N-]=[N+]=NC1=CC=C(F)C=C1 0045AQ [0,1,0,0,0,0|3,0,0]=4 43 B10R1.3 C=CC1=NC=C(CC)C=C1 7768AB [0,1,0,0,0,0|2,0,1]=4 44 B10R1.3 CCC1=CN=C(CC)C=N1 5968AA [0,1,0,0,0,0|3,0,0]=4 45 B10R1.3 CCC1=NC=C(NC)C=N1 9101AB [0,1,0,0,0,0|3,0,0]=4 46 B10R1.3 COC1=CN=C(CCl)C=C1 1704AC [0,1,0,0,0,0|1,0,0]=2 47 B10R1.3 COC1=NN=C(NN)C=C1 6968AC [0,1,0,0,0,0|3,0,0]=4 48 B10R1.3 CSC1=CC=C(C#N)C=C1 D346 [0,1,0,0,0,0|0,1,1]=3 49 B10R1.3 NCC1=CC=C(CBr)C=C1 9484AE [0,1,0,0,0,0|2,0,0]=3 50 B10R1.3 NCC1=CC=C(CCl)C=C1 9520AE [0,1,0,0,0,0|2,0,0]=3 51 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 7866AF [0,1,0,0,0,0|1,1,0]=3 52 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [0,1,0,0,0,0|0,1,0]=2 53 B10R1.13 CC1=CN=C(C(C)C)C=C1 1750AJ [0,1,0,0,0,0|2,0,0]=3 54 B10R1.13 CC1=NC=C(C(C)N)C=N1 1500AA [0,1,0,0,0,0|3,0,0]=4 55 B10R1.13 CC1=NN=C(N(C)N)C=C1 W3823 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.13 CN(C)C1=NC=C(N)C=C1 W5002 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 W7028 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 W7688 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y6478 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.25 C#CC1=CC=C(Br)C=C1F 3151AB [0,1,0,0,0,0|2,0,1]=4 61 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 0145AB [0,1,0,0,0,0|3,0,0]=4 62 B10R1.25 CC1=CC(Br)=C(C#N)C=N1 2716AJ [0,1,0,0,0,0|3,0,0]=4 63 B10R1.25 CC1=CC(C)=C(CBr)N=C1 8736AA [0,1,0,0,0,0|3,0,0]=4 64 B10R1.25 CC1=CC(N)=C(C=O)C=C1 1510AJ [0,1,0,0,0,0|2,0,0]=3 65 B10R1.25 CC1=CC=C(C=O)C(N)=N1 Y4511 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 0639AC [0,1,0,0,0,0|3,0,0]=4 67 B10R1.25 CC1=CN=C(C#N)C(C)=C1 Y4016 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.25 CC1=NC=C(C#N)C(Cl)=C1 5039AB [0,1,0,0,0,0|3,0,0]=4 69 B10R1.25 COC1=C(C)N=C(N)C=C1 7378AB [0,1,0,0,0,0|2,0,0]=3 70 B10R1.25 COC1=CC=C(C)C=C1F Z0570 [0,1,0,0,0,0|0,0,0]=1 71 B10R1.25 COC1=CC=C(I)N=C1I 3576AE [0,1,0,0,0,0|2,0,0]=3 72 B10R1.25 COC1=CN=C(F)C=C1Br Y3890 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.25 COC1=NC=C(C)C=C1C W9915 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.25 COC1=NC=C(Cl)C=C1I 3329AD [0,1,0,0,0,0|2,0,0]=3 75 B10R1.25 COC1=NC=C(N)C=C1C X9137 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.25 COC1=[N+]([O-])C=C(F)C=C1 N177 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.25 CSC1=CC=C(F)C=C1O Y3948 [0,1,0,0,0,0|1,1,0]=3 78 B10R1.25 NNC1=C(Cl)C=C(I)C=C1 3038AB [0,1,0,0,0,0|3,0,0]=4 79 B10R1.25 NNC1=C(I)C=C(Cl)C=C1 3037AB [0,1,0,0,0,0|3,0,0]=4 80 B10R1.25 NNC1=CC=C(Br)C=C1F 8750AH [0,1,0,0,0,0|3,0,0]=4 81 B10R1.25 NNC1=CC=C(F)C=C1Br X6575 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 X9208 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.176 CC1=CC(C=O)=CN=C1C 3055AJ [0,1,0,0,0,0|3,0,0]=4 84 B10R1.176 CC1=CC(CCl)=CC=C1Br V3412 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.176 CC1=CN=C(CO)C=C1Cl 4080AC [0,1,0,0,0,0|3,0,0]=4 86 B10R1.176 CCC1=CC(O)=C(O)C=C1 2184AA [0,1,0,0,0,0|2,0,0]=3 87 B10R1.176 CCC1=CC=C(O)C(C)=N1 X8291 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.176 COC1=CC(=O)N(C)C=C1 2753AL [0,1,0,0,0,0|1,0,0]=2 89 B10R1.176 COC1=CC=C(C)C(N)=N1 Y3282 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.176 COC1=CN=C(Br)C(C)=C1 Y3971 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.176 COC1=CN=C(F)C(I)=C1 Y3900 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.176 COC1=NC(N)=C(N)C=N1 1087AA [0,1,0,0,0,0|3,0,0]=4 93 B10R1.176 FC1=CC=C(CCl)C=C1I 3358AD [0,1,0,0,0,0|3,0,0]=4 94 B10R1.176 N#CC1=CC(S)=C(N)C=C1 9041AA [0,1,0,0,0,0|3,0,0]=4 95 B10R1.176 NC1=CC(C=O)=CC=C1Br V5484 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.176 NCC1=CC=C(N)C(O)=C1 1512AJ [0,1,0,0,0,0|3,0,0]=4 97 B10R1.176 OCC1=CC=C(F)C(I)=C1 7762AD [0,1,0,0,0,0|3,0,0]=4 98 B10R2.31 NC1=CC2=C(C=C1)C=C2 8136AB [0,0,0,1,0,0|2,0,1]=4 99 B8R1.1 CC1=CC(CO)=CO1 Y6575 [0,0,0,0,1,0|3,0,0]=4 100 B8R1.1 CC1=COC(C=O)=C1 2776AL [0,0,0,0,1,0|3,0,0]=4 101 B8R1.1 COC1=CC=C(Br)S1 8374AB [0,0,0,0,1,0|2,0,0]=3 102 B7R0.4 C\C=C\C=C\C(C)=O 5332AL [1,0,1,0,0,0|2,0,0]=4 103 B7R1.3 OC1=NC=CC=N1 Y4949 [2,0,0,0,0,0|2,0,0]=4 104 B7R1.3 [O-]C1=CC=CN=C1 P818 [2,0,0,0,0,0|1,0,1]=4 105 B9R1.2 CCC1=CC(Cl)=CC=C1 9311AB [1,1,0,0,0,0|1,0,0]=3 106 B9R1.2 CCC1=CC=NC(Cl)=C1 5411AB [1,1,0,0,0,0|2,0,0]=4 107 B9R1.2 CNC1=NC=CC(N)=C1 5548AC [1,1,0,0,0,0|2,0,0]=4 108 B9R1.2 COC1=CC(Br)=NC=N1 8292AE [1,1,0,0,0,0|2,0,0]=4 109 B9R1.2 COC1=CC(O)=NC=C1 W9780 [1,1,0,0,0,0|1,0,0]=3 110 B9R1.2 ClCC1=CC(I)=CC=C1 8955AB [1,1,0,0,0,0|2,0,0]=4 111 B9R1.6 C=C(F)C1=CC=CC=C1 1021AL [1,1,0,0,0,0|1,0,1]=4 112 B9R1.6 CC(=N)C1=CC=CN=C1 Y6078 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.6 CC(Cl)C1=NC=CC=C1 Z2355 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.6 CC(O)C1=CC=NC=C1 W4712 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.8 C#C[I+]C1=CC=CC=C1 7930AL [1,1,0,0,0,0|1,0,1]=4 116 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,1,0,0,0,0|2,0,0]=4 117 B9R1.8 ClC#CC1=CC=CC=C1 0032AQ [1,1,0,0,0,0|1,0,1]=4 118 B9R1.8 ClCCC1=CC=NC=C1 2738AB [1,1,0,0,0,0|2,0,0]=4 119 B9R1.8 ClCCC1=CN=CC=C1 5261AB [1,1,0,0,0,0|2,0,0]=4 120 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [1,1,0,0,0,0|2,0,0]=4 121 B9R1.8 IC#CC1=CC=CC=C1 0175AQ [1,1,0,0,0,0|1,0,1]=4 122 B9R1.8 O\N=C/C1=CC=CC=C1 9354AB [1,1,0,0,0,0|2,0,0]=4 123 B9R1.15 COC1=C(Cl)C=NC=C1 3447AC [1,1,0,0,0,0|1,0,0]=3 124 B9R1.15 COC1=CN=CN=C1Br 3690AA [1,1,0,0,0,0|2,0,0]=4 125 B9R1.15 COC1=CN=CNC1=O 1032AC [1,1,0,0,0,0|2,0,0]=4 126 B9R1.15 CSC1=NC=CC=C1Cl Z1214 [1,1,0,0,0,0|1,1,0]=4 127 B9R1.69 CC1=CC(Br)=C(N)C=N1 1375AA [1,1,0,0,0,0|2,0,0]=4 128 B9R1.69 CC1=CC(C)=C(I)N=C1 6146AB [1,1,0,0,0,0|2,0,0]=4 129 B9R1.69 CC1=CC(N)=C(N)C=N1 3446AC [1,1,0,0,0,0|2,0,0]=4 130 B9R1.69 CC1=CC=C(C)C(Br)=N1 5008AH [1,1,0,0,0,0|1,0,0]=3 131 B9R1.69 CC1=CC=C(Cl)NC1=O 5043AA [1,1,0,0,0,0|2,0,0]=4 132 B9R1.69 CC1=CN=C(C)C=C1O 1272AB [1,1,0,0,0,0|1,0,0]=3 133 B9R1.69 CC1=CN=C(F)C(C)=C1 Y3683 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.69 CC1=CN=C(F)C(Cl)=C1 0761AA [1,1,0,0,0,0|2,0,0]=4 135 B9R1.69 CC1=CN=C(F)C(O)=C1 Y3761 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.69 CC1=NC(N)=C(Cl)C=C1 8342AB [1,1,0,0,0,0|2,0,0]=4 137 B9R1.69 CC1=NC(N)=C(S)C=C1 3971AB [1,1,0,0,0,0|1,1,0]=4 138 B9R1.69 CC1=NC=C(Cl)C(N)=C1 6847AC [1,1,0,0,0,0|2,0,0]=4 139 B9R1.69 CN1C=CC(O)=CC1=O 6177AJ [1,1,0,0,0,0|1,0,0]=3 140 B9R1.69 NC1=C(I)C=CC(O)=C1 7024AC [1,1,0,0,0,0|1,0,0]=3 141 B9R1.69 NC1=C(O)C=C(Br)C=C1 3353AC [1,1,0,0,0,0|2,0,0]=4 142 B9R1.69 NC1=NC(Br)=C(O)C=C1 3409AJ [1,1,0,0,0,0|2,0,0]=4 143 B9R1.69 OC1=CC(F)=CC=C1I 3213AJ [1,1,0,0,0,0|2,0,0]=4 144 B9R1.69 OC1=CC(I)=C(Br)N=C1 0783AC [1,1,0,0,0,0|2,0,0]=4 145 B9R1.69 OC1=CC=C(I)N=C1I 4532AD [1,1,0,0,0,0|2,0,0]=4 146 B9R1.69 OC1=CC=C(O)C(S)=C1 1917AL [1,1,0,0,0,0|1,0,0]=3 147 B9R1.69 [O-]C1=C(F)C=C(Br)C=C1 7784AA [1,1,0,0,0,0|1,0,1]=4 148 B9R1.7 CCOC1=NOC(C)=C1 5302AA [0,1,0,0,1,0|2,0,0]=4 149 B9R1.21 CCC1=CC=C(CC)N1 1950AC [0,1,0,0,1,0|2,0,0]=4 150 B9R1.21 CCC1=CC=C(CC)S1 6997AB [0,1,0,0,1,0|2,0,0]=4 151 B9R1.21 COC1=NC=C(CO)S1 3726AF [0,1,0,0,1,0|2,0,0]=4 152 B11R1.1 C=CCCC1=CC=C(Br)C=C1 4835AD [0,2,0,0,0,0|2,0,0]=4 153 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 9629AD [0,2,0,0,0,0|2,0,0]=4 154 B11R1.1 CC1=CC=C(OCC#N)C=C1 6210AJ [0,2,0,0,0,0|0,0,0]=2 155 B11R1.1 CCCOC1=NC=C(Cl)C=C1 Y3728 [0,2,0,0,0,0|2,0,0]=4 156 B11R1.1 CCOCC1=CC=C(O)C=C1 Z4904 [0,2,0,0,0,0|1,0,0]=3 157 B11R1.1 CCOCC1=CN=C(N)C=C1 Y4084 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.1 CNCCC1=CC=C(C)C=C1 1463AB [0,2,0,0,0,0|1,0,0]=3 159 B11R1.1 COCOC1=CC=C(C)C=C1 2069AB [0,2,0,0,0,0|0,0,0]=2 160 B11R1.1 NC1=CC=C(CCCO)C=C1 2833AC [0,2,0,0,0,0|2,0,0]=4 161 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 1755AC [0,2,0,0,0,0|2,0,0]=4 162 B11R1.20 CC(N)CC1=CC=C(O)C=C1 2498AL [0,2,0,0,0,0|2,0,0]=4 163 B11R1.20 CC1=CC=C(NC(C)C)C=C1 7984AC [0,2,0,0,0,0|1,0,0]=3 164 B11R1.20 FC1=CC=C(OC(F)F)C=C1 1094AE [0,2,0,0,0,0|1,0,0]=3 165 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 1725AC [0,2,0,0,0,0|2,0,0]=4 166 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 3750AL [0,2,0,0,0,0|2,0,0]=4 167 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 1423AL [0,2,0,0,0,0|2,0,0]=4 168 B11R1.22 CN(C=O)C1=CC=C(Cl)C=C1 6455AL [0,2,0,0,0,0|2,0,0]=4 169 B11R1.22 NC1=CC=C(C(=O)CCl)C=C1 2322AB [0,2,0,0,0,0|2,0,0]=4 170 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 X3150 [0,2,0,0,0,0|2,0,0]=4 171 B11R1.81 CCOC1=CC=C(Cl)C=C1Br Y3880 [0,2,0,0,0,0|1,0,0]=3 172 B11R1.81 CCOC1=CC=C(F)C=C1O Z0556 [0,2,0,0,0,0|1,0,0]=3 173 B11R1.83 CCC1=CN=C(CCN)C=C1 3531AA [0,2,0,0,0,0|2,0,0]=4 174 B11R1.83 CCOC1=CC=C(CCl)C=C1 7680AE [0,2,0,0,0,0|0,0,0]=2 175 B11R1.83 COC1=CN=C(CCN)C=C1 1340AA [0,2,0,0,0,0|1,0,0]=3 176 B11R1.83 N#CCC1=CC=C(CCl)C=C1 A717 [0,2,0,0,0,0|1,0,1]=4 177 B11R1.83 O=CC1=CC=C(CCO)C=C1 8288AA [0,2,0,0,0,0|1,0,1]=4 178 B11R1.192 CC1=CC=C(CCN)C=C1C 8902AA [0,2,0,0,0,0|1,0,0]=3 179 B11R1.192 CCNC1=CC(C)=C(C)C=C1 8938AD [0,2,0,0,0,0|1,0,0]=3 180 B11R1.192 CCOC1=CC=C(N)C(N)=N1 6693AA [0,2,0,0,0,0|2,0,0]=4 181 B11R1.192 CCOC1=CN=C(Br)C(N)=C1 W7731 [0,2,0,0,0,0|2,0,0]=4 182 B11R1.192 CCOC1=NC=C(N)C(C)=C1 6928AA [0,2,0,0,0,0|2,0,0]=4 183 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 3772AC [0,2,0,0,0,0|1,0,0]=3 184 B11R1.3 CC(C)C1=NC=C(CN)C=C1 Y1981 [0,2,0,0,0,0|2,0,0]=4 185 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 W7084 [0,2,0,0,0,0|0,0,0]=2 186 B11R1.3 COC1=CN=C(C(C)=O)C=N1 Z1655 [0,2,0,0,0,0|2,0,0]=4 187 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 O044 [0,2,0,0,0,0|2,0,0]=4 188 B11R1.3 N#CC1=CC=C(C(F)F)C=C1 8147AB [0,2,0,0,0,0|2,0,0]=4 189 B11R1.3 NCC1=CC=C(B(O)O)C=C1 Y9279 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.279 CCC1=CC=C(OC)C=C1O 2074AL [0,2,0,0,0,0|0,0,0]=2 191 B11R1.279 COC1=C(Br)C=C(C#N)C=N1 3145AJ [0,2,0,0,0,0|1,0,1]=4 192 B11R1.279 COC1=C(Cl)N=C(CO)C=C1 8878AH [0,2,0,0,0,0|1,0,0]=3 193 B11R1.279 COC1=C(N)C=C(CN)C=C1 2974AJ [0,2,0,0,0,0|0,0,0]=2 194 B11R1.279 COC1=CC(C)=C(C#N)N=C1 3250AJ [0,2,0,0,0,0|1,0,1]=4 195 B11R1.279 COC1=CC=C(C=O)C=C1N W5672 [0,2,0,0,0,0|0,0,1]=3 196 B11R1.279 COC1=CC=C(CCl)C=C1C 9079AB [0,2,0,0,0,0|0,0,0]=2 197 B11R1.279 COC1=CC=C(CN)C(F)=C1 5987AC [0,2,0,0,0,0|0,0,0]=2 198 B11R1.279 COC1=CC=C(CN)C=C1N 2973AJ [0,2,0,0,0,0|0,0,0]=2 199 B11R1.279 COC1=CC=C(CO)N=C1Br 5072AC [0,2,0,0,0,0|1,0,0]=3 200 B11R1.279 COC1=CN=C(OC)C(C)=C1 Z0104 [0,2,0,0,0,0|1,0,0]=3 201 B11R1.279 COC1=NC(Cl)=C(CN)C=C1 1365AA [0,2,0,0,0,0|1,0,0]=3 202 B11R1.279 COC1=NC=C(C=O)C=C1Br Z0761 [0,2,0,0,0,0|1,0,1]=4 203 B11R1.279 COC1=NC=C(C=O)C=C1F Z5255 [0,2,0,0,0,0|1,0,1]=4 204 B11R1.279 CSC1=CC=C(CCl)C=C1Cl X6696 [0,2,0,0,0,0|0,1,0]=3 205 B11R1.279 N#CC1=CC=C(CCl)C(F)=C1 4186AB [0,2,0,0,0,0|2,0,0]=4 206 B11R1.19 CC(C)(N)C1=CC=C(N)C=C1 2445AJ [0,2,0,0,0,0|2,0,0]=4 207 B11R1.19 CC(C)(O)C1=CC=C(N)C=C1 1130AJ [0,2,0,0,0,0|2,0,0]=4 208 B11R1.19 CC(F)(F)C1=CC=C(Cl)C=C1 5612AE [0,2,0,0,0,0|2,0,0]=4 209 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 X5539 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 3773AA [0,2,0,0,0,0|1,1,0]=4 211 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 6376AC [0,2,0,0,0,0|1,1,0]=4 212 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 9369AA [0,2,0,0,0,0|1,1,0]=4 213 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 X3141 [0,2,0,0,0,0|1,1,0]=4 214 B11R1.19 CS(=N)(=O)C1=CC=C(F)C=C1 9066AJ [0,2,0,0,0,0|1,1,0]=4 215 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 X7016 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.21 CC(=O)C1=CC(I)=C(O)C=C1 1108AQ [0,2,0,0,0,0|2,0,0]=4 217 B11R1.21 CC(=O)C1=CC(N)=C(Br)C=C1 1073AQ [0,2,0,0,0,0|2,0,0]=4 218 B11R1.21 CC(=O)C1=CC(O)=C(N)C=C1 7979AB [0,2,0,0,0,0|2,0,0]=4 219 B11R1.21 CC(=O)C1=CC=C(N)C(Br)=C1 9448AH [0,2,0,0,0,0|2,0,0]=4 220 B11R1.21 CC(=O)C1=CC=C(O)C(N)=C1 7803AB [0,2,0,0,0,0|2,0,0]=4 221 B11R1.21 CC1=C(F)C=CC([C@@H](C)N)=C1 3792AA [0,2,0,0,0,0|2,0,0]=4 222 B11R1.21 CC1=CC([C@H](C)N)=CC=C1Cl W9678 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 2090AJ [0,2,0,0,0,0|2,0,0]=4 224 B11R1.21 CC1=CC=C(C(C)C)C=C1N B800 [0,2,0,0,0,0|1,0,0]=3 225 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(F)C=C1 0358AA [0,2,0,0,0,0|2,0,0]=4 226 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 X3908 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.21 C[C@H](N)C1=CC=C(Cl)C(F)=C1 X9597 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.21 C[C@H](N)C1=CC=C(F)C(F)=C1 W5395 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.166 CC(=O)C1=CN=C(C)C=C1N 5382AA [0,2,0,0,0,0|2,0,0]=4 230 B11R1.166 CC1=C(N(C)N)C=CC(Cl)=C1 4291AA [0,2,0,0,0,0|2,0,0]=4 231 B11R1.166 CC1=CC=C(C(=N)N)C(C)=C1 1390AJ [0,2,0,0,0,0|2,0,0]=4 232 B11R1.166 CS(=O)C1=C(F)C=C(O)C=C1 3401AC [0,2,0,0,0,0|1,1,0]=4 233 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 6092AA [0,2,0,0,0,0|2,0,0]=4 234 B11R1.37 C#CC1=C(OC)C=CC(Br)=C1 1295AA [0,2,0,0,0,0|1,0,0]=3 235 B11R1.37 CCC1=CN=C(C)C=C1C#N 6931AC [0,2,0,0,0,0|2,0,0]=4 236 B11R1.37 COC1=C(C#N)C=C(C)C=N1 V3423 [0,2,0,0,0,0|1,0,0]=3 237 B11R1.37 COC1=C(C#N)C=C(F)C=C1 9879AA [0,2,0,0,0,0|1,0,0]=3 238 B11R1.37 COC1=C(C=O)C=C(Cl)C=N1 Y3555 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.37 COC1=C(CBr)C=C(Cl)C=C1 8712AB [0,2,0,0,0,0|1,0,0]=3 240 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 9514AA [0,2,0,0,0,0|1,0,0]=3 241 B11R1.37 COC1=C(CO)C=C(Cl)C=N1 1261AE [0,2,0,0,0,0|2,0,0]=4 242 B11R1.37 COC1=C(OC)N=C(Cl)C=C1 8546AC [0,2,0,0,0,0|2,0,0]=4 243 B11R1.37 COC1=C(OC)N=CC(N)=C1 Y3263 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.37 COC1=CN=C(N)C=C1OC 2577AJ [0,2,0,0,0,0|2,0,0]=4 245 B11R1.277 CC1=C(F)C=C(CO)C(F)=C1 1995AB [0,2,0,0,0,0|2,0,0]=4 246 B11R1.277 CC1=CC(Br)=C(C#N)C=C1F 5455AC [0,2,0,0,0,0|2,0,0]=4 247 B11R1.277 CC1=CC(C)=C(C#N)C=C1C X4597 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.277 CCC1=CC(N)=C(C)C=C1C Y1727 [0,2,0,0,0,0|1,0,0]=3 249 B11R1.277 CCC1=CC(N)=C(C)C=C1C Y1728 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.277 CNC1=CC(F)=C(F)C=C1F 8506AD [0,2,0,0,0,0|2,0,0]=4 251 B11R1.277 COC1=C(F)C=C(N)C(N)=C1 Z8861 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.277 COC1=C(I)N=C(I)C(O)=C1 8543AC [0,2,0,0,0,0|2,0,0]=4 253 B11R1.277 COC1=CC(F)=C(F)C=C1I 4389AA [0,2,0,0,0,0|1,0,0]=3 254 B11R1.277 COC1=CC(N)=C(N)C=C1Cl 2201AE [0,2,0,0,0,0|1,0,0]=3 255 B11R1.278 COC1=C(Cl)C(F)=C(Br)C=C1 5148AC [0,2,0,0,0,0|1,0,0]=3 256 B11R1.278 COC1=C(F)C(Cl)=C(Br)C=C1 5151AC [0,2,0,0,0,0|1,0,0]=3 257 B11R1.278 COC1=CC=C(F)C(F)=C1Cl Y3993 [0,2,0,0,0,0|1,0,0]=3 258 B11R1.464 CC1=CC(C)=C(C=O)C(O)=C1 2088AL [0,2,0,0,0,0|2,0,0]=4 259 B11R1.464 CC1=CC(C)=C(NN)C(C)=C1 9363AE [0,2,0,0,0,0|2,0,0]=4 260 B11R1.464 CC1=CC(F)=C(CO)C(F)=C1 1993AB [0,2,0,0,0,0|2,0,0]=4 261 B11R1.464 CNC1=C(N)C=C(Br)C=C1C 2728AJ [0,2,0,0,0,0|2,0,0]=4 262 B11R1.464 COC1=C(Cl)N=C(C)N=C1C 5434AA [0,2,0,0,0,0|2,0,0]=4 263 B11R1.464 COC1=C(O)C=C(I)N=C1Br 3590AD [0,2,0,0,0,0|2,0,0]=4 264 B11R1.14 COC1=CC(N)=C(C)C(C)=C1 9682AA [0,2,0,0,0,0|0,0,0]=2 265 B11R1.14 COC1=NC(N)=C(C)C(=O)N1 3412AJ [0,2,0,0,0,0|2,0,0]=4 266 B11R1.280 CCC1=CC(C=O)=C(F)C=C1 4725AC [0,2,0,0,0,0|2,0,0]=4 267 B11R1.280 CCC1=CC(C=O)=C(O)C=C1 7392AB [0,2,0,0,0,0|2,0,0]=4 268 B11R1.280 COC1=CC(OC)=NC=C1Cl Y3892 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.280 COC1=CC=C(Cl)C(OC)=C1 8452AE [0,2,0,0,0,0|1,0,0]=3 270 B11R1.280 COC1=CC=C(O)C(OC)=N1 Z1004 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.280 COC1=CN=C(F)C(CO)=C1 8504AH [0,2,0,0,0,0|2,0,0]=4 272 B11R1.280 COC1=NC(OC)=C(C)C=N1 7184AB [0,2,0,0,0,0|2,0,0]=4 273 B11R1.280 COC1=NC=C(Cl)C(CO)=C1 9921AL [0,2,0,0,0,0|2,0,0]=4 274 B11R2.34 ClC1=CC=C(C2CO2)C=C1 0625AQ [0,1,0,1,0,0|1,0,0]=3 275 B11R2.36 CC1=CC2=C(C=C1)C=NO2 1217AA [0,1,0,1,0,0|2,0,0]=4 276 B11R2.36 CC1=CC2=C(CCC2)N=C1 2832AB [0,1,0,1,0,0|2,0,0]=4 277 B11R2.36 ClC1=CC=C2CCOC2=C1 3499AJ [0,1,0,1,0,0|2,0,0]=4 278 B11R2.36 IC1=CC=C2CNCC2=C1 5068AC [0,1,0,1,0,0|2,0,0]=4 279 B11R2.36 NC1=CC2=C(C=C1)CCC2 2198AC [0,1,0,1,0,0|2,0,0]=4 280 B11R2.36 NC1=CC2=C(C=C1)NCC2 5784AH [0,1,0,1,0,0|2,0,0]=4 281 B11R2.36 OC1=CC2=CON=C2C=C1 6260AB [0,1,0,1,0,0|1,0,1]=4 282 B11R2.190 C#CC1=CC2=C(C=C1)CC2 7130AA [0,1,0,1,0,0|1,0,1]=4 283 B7R1.1 CSC1=CC=CO1 3661AD [1,0,0,0,1,0|1,1,0]=4 284 B7R1.2 CC1=CC(N)=CS1 7683AA [1,0,0,0,1,0|2,0,0]=4 285 B7R1.2 CC1=CC=C(Br)O1 Z5451 [1,0,0,0,1,0|2,0,0]=4 286 B7R1.2 CC1=CSC(N)=C1 7351AA [1,0,0,0,1,0|2,0,0]=4 287 B7R1.2 CN1C=CC(N)=C1 1192AC [1,0,0,0,1,0|2,0,0]=4