0 B11R1.83 C=CC1=CC=C(CCCl)C=C1 AC7198 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.83 C=CC1=CC=C(CCO)C=C1 AC6179 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.83 COC1=CN=C(CCN)C=C1 C15008 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.83 COC1=NC=C(CCN)C=C1 W10137 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.83 COC1=NC=C(CCN)C=N1 AT18225 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.83 COC1=NC=C(CCN)C=N1 AT18231 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.83 COC1=NC=C(CCO)C=N1 AT18226 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.83 NCCC1=CC=C(CO)C=C1 20162 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 AB1475 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.1 CC1=CC=C(C#CBr)C=C1 94424 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.1 CC1=NC=C(\C=C\Br)C=C1 F50214 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,0,0,0,0,0|1,1,1]=4 17 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [1,0,0,0,0,0|1,1,1]=4 31 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.3 COC1=CN=C(CCl)N=C1 F30448 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.3 COC1=CN=C(CCl)N=C1 P16747 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.3 COC1=CN=C(CN)N=C1 F30456 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.3 COC1=NC=C(CCl)C=N1 AT18228 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.3 COC1=NC=C(CCl)C=N1 P14060 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.3 COC1=NN=C(CBr)C=C1 94344 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.3 COC1=NN=C(CCl)C=C1 94346 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [1,0,0,0,0,0|2,1,0]=4 43 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [1,0,0,0,0,0|1,0,1]=3 45 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,1,0,0,0,0|0,0,2]=3 47 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,1,0,0,0,0|1,0,2]=4 48 B12R1.4 NNC1=CC=C(CC(N)=O)C=C1 F30826 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.5 C#C[C@@H](O)C1=CC=C(OC)C=C1 AC5064 [0,1,0,0,0,0|0,0,2]=3 50 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15274 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15275 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15276 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15289 [0,1,0,0,0,0|0,0,0]=1 54 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15290 [0,1,0,0,0,0|0,0,0]=1 55 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15291 [0,1,0,0,0,0|0,0,0]=1 56 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 23929 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13461 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13462 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13463 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.5 CC[C@H](Cl)C1=CN=C(OC)C=C1 91403 [0,1,0,0,0,0|1,0,2]=4 61 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [0,1,0,0,0,0|0,0,2]=3 62 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [0,1,0,0,0,0|0,0,2]=3 63 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [0,1,0,0,0,0|0,0,2]=3 64 B12R1.5 CC[C@H](N)C1=CC=C(SC)C=C1 N11382 [0,1,0,0,0,0|0,1,2]=4 65 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 N11202 [0,1,0,0,0,0|1,0,2]=4 66 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 N11365 [0,1,0,0,0,0|1,0,2]=4 67 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [0,1,0,0,0,0|1,0,1]=3 68 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [0,1,0,0,0,0|1,0,1]=3 69 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [0,1,0,0,0,0|1,0,2]=4 70 B12R1.5 COC1=CC=C([C@@H](N)CF)C=C1 N14616 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13480 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13481 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13482 [0,1,0,0,0,0|1,0,1]=3 74 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13488 [0,1,0,0,0,0|1,0,1]=3 75 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13489 [0,1,0,0,0,0|1,0,1]=3 76 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13490 [0,1,0,0,0,0|1,0,1]=3 77 B12R1.5 COC1=CC=C([C@@H](O)CN)C=C1 C78301 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 F16997 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 Y11425 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.5 CSC1=CC=C([C@@H](N)CO)C=C1 H10359 [0,1,0,0,0,0|1,1,1]=4 81 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [0,1,0,0,0,0|0,0,0]=1 82 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,1,0,0,0,0|0,0,0]=1 83 B12R1.71 CCC1=CC=C(CCCO)C=C1 C77990 [0,1,0,0,0,0|1,0,2]=4 84 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [0,1,0,0,0,0|0,0,1]=2 85 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [0,1,0,0,0,0|0,0,2]=3 86 B12R1.71 COC1=CC=C(NCCN)C=C1 AC5715 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.71 CSC1=CC=C(CCCN)C=C1 N13315 [0,1,0,0,0,0|0,1,2]=4 88 B12R1.71 CSC1=CC=C(OCC#N)C=C1 AC9751 [0,1,0,0,0,0|1,1,1]=4 89 B12R1.113 C=CCC1=CC=C(C(N)=O)C=C1 AC2805 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 C13364 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.116 CCOC1=CC=C(CCO)C=C1 C78072 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.116 ClCCC1=CC=C(CCCl)C=C1 T71283 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.288 COC1=C(F)C=C(CCN)C=C1 D87759 [0,1,0,0,0,0|1,0,1]=3 94 B12R2.9 CCC1=CC=C(C2CC2)C=C1 AC8465 [0,0,0,1,0,0|1,0,2]=4 95 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [0,0,0,1,0,0|0,0,2]=3 96 B12R2.44 BrCC1=CC2=C(C=C1)OC=C2 AC5003 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.44 CCC1=CC2=C(C=CN2)C=C1 72108 [0,0,0,1,0,0|2,0,1]=4 98 B12R2.44 CNC1=CC2=C(C=C1)CCC2 F12591 [0,0,0,1,0,0|1,0,2]=4 99 B12R2.44 COC1=CC2=C(C=C1)SN=N2 D77627 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [0,0,0,1,0,0|0,0,2]=3 101 B12R2.44 COC1=CN=C2CNCC2=C1 F19782 [0,0,0,1,0,0|2,0,1]=4 102 B12R2.44 COC1=CN=C2N=CNC2=C1 F18481 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.44 COC1=NC2=C(C=N1)SC=C2 66363 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.44 CSC1=CC2=C(C=CN2)C=C1 F17545 [0,0,0,1,0,0|1,1,1]=4 105 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F13229 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F20150 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 73943 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.44 NNC1=CC2=C(C=C1)NC=C2 F17872 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.1 COC1=CN=C(I)C=C1 F17075 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [2,0,0,0,0,0|1,1,0]=4 116 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [2,0,0,0,0,0|1,1,0]=4 118 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.8 FCCC1=CC=CC=C1 75534 [2,0,0,0,0,0|1,0,1]=4 120 B9R1.8 NCCC1=CC=CC=C1 T71816 [2,0,0,0,0,0|1,0,1]=4 121 B9R1.8 NCCC1=CC=CC=C1 T72591 [2,0,0,0,0,0|1,0,1]=4 122 B11R1.1 C=CCOC1=CC=C(Br)C=C1 71195 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.1 C=C\C=C\C1=CC=C(F)C=C1 59824 [1,1,0,0,0,0|1,0,1]=4 124 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [1,1,0,0,0,0|0,0,2]=4 125 B11R1.1 CC1=CC=C(OCC#N)C=C1 AC7568 [1,1,0,0,0,0|1,0,1]=4 126 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [1,1,0,0,0,0|0,0,2]=4 127 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [1,1,0,0,0,0|0,0,2]=4 128 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 AB6809 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [1,1,0,0,0,0|0,0,2]=4 131 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [1,1,0,0,0,0|0,0,2]=4 133 B11R1.22 C#C[C@@H](O)C1=CC=C(C)C=C1 AC6704 [1,1,0,0,0,0|0,0,2]=4 134 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 N15257 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 N15258 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15265 [1,1,0,0,0,0|0,0,0]=2 137 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15266 [1,1,0,0,0,0|0,0,0]=2 138 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15267 [1,1,0,0,0,0|0,0,0]=2 139 B11R1.22 C=C[C@H](N)C1=CC=C(Cl)C=C1 E72771 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.22 C=C[C@H](N)C1=CC=C(Cl)C=C1 N15246 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.22 C=C[C@H](N)C1=CC=C(Cl)C=C1 N15247 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.22 C=C[C@H](N)C1=CC=C(Cl)C=C1 N15248 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.22 C=C[C@H](N)C1=CC=C(F)C=C1 N15237 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.22 C=C[C@H](N)C1=CC=C(F)C=C1 N15238 [1,1,0,0,0,0|1,0,0]=3 145 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15298 [1,1,0,0,0,0|0,0,0]=2 146 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15299 [1,1,0,0,0,0|0,0,0]=2 147 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15300 [1,1,0,0,0,0|0,0,0]=2 148 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [1,1,0,0,0,0|0,0,2]=4 156 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [1,1,0,0,0,0|0,0,2]=4 161 B11R1.81 NCCC1=C(F)C=C(O)C=C1 F51014 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.81 O=CCC1=C(Cl)C=C(Cl)C=C1 C15524 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.192 CC1=C(Br)C=C(CC#N)C=C1 97483 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.192 N#CCC1=CC(F)=C(O)C=C1 F13577 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.192 O=CCC1=CC(Cl)=C(Cl)C=C1 25894 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90819 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90820 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [1,1,0,0,0,0|0,1,1]=4 177 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [1,1,0,0,0,0|0,1,1]=4 178 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [1,1,0,0,0,0|0,1,1]=4 179 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [1,1,0,0,0,0|0,1,1]=4 180 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.279 C#CC1=C(Br)C=C(OC)C=C1 AT26829 [1,1,0,0,0,0|0,0,2]=4 183 B11R1.279 CCC1=C(O)C=C(OC)C=C1 75531 [1,1,0,0,0,0|0,0,1]=3 184 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 AT26698 [1,1,0,0,0,0|0,0,1]=3 185 B11R1.279 COC1=C(Br)C=C(CN)C=C1 AC5724 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.279 COC1=C(C)C=C(CCl)C=C1 F14712 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.279 COC1=C(Cl)C=C(CN)C=N1 F50183 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.279 COC1=C(F)C=C(CO)C=N1 97679 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.279 COC1=C(N)C=C(C=O)C=C1 26715 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.279 COC1=CC(C)=C(NN)C=C1 D87953 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.279 COC1=CC(F)=C(CO)C=N1 97685 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.279 COC1=CC(O)=C(CO)C=C1 AC7760 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.279 COC1=CC=C(CO)C(Cl)=N1 C71897 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.279 COC1=CC=C(CO)N=C1Br F53393 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.279 COC1=CC=C(CO)N=C1I F53668 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.279 COC1=NC(C)=C(CO)C=C1 O10141 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.279 COC1=NC(N)=C(C=O)C=C1 66190 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.279 CSC1=C(C)C=C(CN)C=C1 AT20988 [1,1,0,0,0,0|1,1,0]=4 199 B11R1.279 CSC1=C(Cl)C=C(C=O)C=C1 AT16394 [1,1,0,0,0,0|1,1,0]=4 200 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 AC6367 [0,2,0,0,0,0|0,0,2]=4 201 B13R1.4 COC1=CC=C(CS(=O)(=O)Cl)C=C1 C71364 [0,2,0,0,0,0|2,0,0]=4 202 B13R1.5 CC[C@H](N)CC1=CC=C(OC)C=C1 N14555 [0,2,0,0,0,0|0,0,2]=4 203 B13R1.5 COC1=CC=C(\C=C(/C)C=O)C=C1 F15127 [0,2,0,0,0,0|0,0,1]=3 204 B13R1.35 COC1=C(Br)C=C(NC(C)=O)C=C1 96535 [0,2,0,0,0,0|1,0,1]=4 205 B13R1.36 C=C(C)C(=O)C1=CC=C(CC)C=C1 AC9609 [0,2,0,0,0,0|1,0,1]=4 206 B13R1.36 CCC1=CC=C([C@@H](C)C(=O)O)C=C1 43958 [0,2,0,0,0,0|2,0,0]=4 207 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N15201 [0,2,0,0,0,0|2,0,0]=4 208 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N15212 [0,2,0,0,0,0|2,0,0]=4 209 B13R1.36 CCC1=CC=C([C@@H](N)C(C)=O)C=C1 N15713 [0,2,0,0,0,0|1,0,1]=4 210 B13R1.36 COC1=CC=C(C(N)C(C)O)C=C1 N15668 [0,2,0,0,0,0|0,0,2]=4 211 B13R1.36 COC1=CC=C([C@@H](N)C(C)=O)C=C1 N15667 [0,2,0,0,0,0|0,0,1]=3 212 B13R1.36 COC1=CC=C([C@@H](N)C(C)O)C=C1 N15669 [0,2,0,0,0,0|0,0,2]=4 213 B13R1.36 COC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15670 [0,2,0,0,0,0|0,0,2]=4 214 B13R1.36 COC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15673 [0,2,0,0,0,0|0,0,2]=4 215 B13R1.36 COC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15671 [0,2,0,0,0,0|0,0,2]=4 216 B13R1.36 COC1=CC=C([C@@H](O)C(C)C)C=C1 F50466 [0,2,0,0,0,0|0,0,2]=4 217 B13R1.36 COC1=CN=C([C@@H](N)C(=O)O)C=C1 F19589 [0,2,0,0,0,0|2,0,0]=4 218 B13R1.36 COC1=NC=C([C@@H](N)C(=O)O)C=C1 F19588 [0,2,0,0,0,0|2,0,0]=4 219 B13R1.36 CSC1=CC=C([C@@H](N)C(C)=O)C=C1 N15685 [0,2,0,0,0,0|0,1,1]=4 220 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 AC6363 [0,2,0,0,0,0|1,0,1]=4 221 B13R1.142 NNCC1=CC=C(OC(F)F)C=C1 W12216 [0,2,0,0,0,0|2,0,0]=4 222 B13R1.142 OCCC1=CC=C(OC(F)F)C=C1 AT22189 [0,2,0,0,0,0|1,0,1]=4 223 B13R1.653 COC1=CC(C)=C(CC(C)=O)C=C1 70274 [0,2,0,0,0,0|0,0,1]=3 224 B13R1.39 CC[C@@H](CN)C1=CC=C(OC)C=C1 C78273 [0,2,0,0,0,0|0,0,2]=4 225 B13R1.39 CN[C@@H](CO)C1=CC=C(OC)C=C1 N12830 [0,2,0,0,0,0|1,0,1]=4 226 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15342 [0,2,0,0,0,0|0,0,0]=2 227 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15343 [0,2,0,0,0,0|0,0,0]=2 228 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15344 [0,2,0,0,0,0|0,0,0]=2 229 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13756 [0,2,0,0,0,0|1,0,1]=4 230 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13757 [0,2,0,0,0,0|1,0,1]=4 231 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13758 [0,2,0,0,0,0|1,0,1]=4 232 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13763 [0,2,0,0,0,0|1,0,1]=4 233 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13764 [0,2,0,0,0,0|1,0,1]=4 234 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13634 [0,2,0,0,0,0|1,0,1]=4 235 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13635 [0,2,0,0,0,0|1,0,1]=4 236 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13636 [0,2,0,0,0,0|1,0,1]=4 237 B13R1.95 COC1=CC(F)=C([C@@H](N)CN)C=C1 N13560 [0,2,0,0,0,0|1,0,1]=4 238 B13R1.95 COC1=CC(F)=C([C@@H](N)CN)C=C1 N13561 [0,2,0,0,0,0|1,0,1]=4 239 B13R1.95 COC1=CC(F)=C([C@@H](N)CN)C=C1 N13562 [0,2,0,0,0,0|1,0,1]=4 240 B13R1.139 CCOC1=CC=C([C@@H](N)CO)C=C1 N13133 [0,2,0,0,0,0|1,0,1]=4 241 B13R1.139 CCOC1=CC=C([C@@H](N)CO)C=C1 Y11664 [0,2,0,0,0,0|1,0,1]=4 242 B13R1.139 COC(=O)C1=CC=C(NC=O)C=C1 AB10019 [0,2,0,0,0,0|2,0,0]=4 243 B13R1.452 C=CC[C@H](O)C1=CC=C(OC)C=C1 W18879 [0,2,0,0,0,0|0,0,0]=2 244 B13R1.452 COC1=CC=C(\C(Cl)=C\C#N)C=C1 32322 [0,2,0,0,0,0|0,0,2]=4 245 B13R1.537 C=C[C@H](N)C1=CC=C(C(C)C)C=C1 N15277 [0,2,0,0,0,0|1,0,0]=3 246 B13R1.537 C=C[C@H](N)C1=CC=C(C(C)C)C=C1 N15278 [0,2,0,0,0,0|1,0,0]=3 247 B13R1.537 C=C[C@H](N)C1=CC=C(C(C)C)C=C1 N15279 [0,2,0,0,0,0|1,0,0]=3 248 B13R1.3088 C=C[C@H](N)C1=CC(Cl)=C(OC)C=C1 N15417 [0,2,0,0,0,0|0,0,0]=2 249 B13R1.3088 C=C[C@H](N)C1=CC(Cl)=C(OC)C=C1 N15418 [0,2,0,0,0,0|0,0,0]=2 250 B13R1.3088 C=C[C@H](N)C1=CC(Cl)=C(OC)C=C1 N15420 [0,2,0,0,0,0|0,0,0]=2 251 B13R1.3088 C=C[C@H](N)C1=CC(F)=C(OC)C=C1 N15379 [0,2,0,0,0,0|0,0,0]=2 252 B13R1.3088 C=C[C@H](N)C1=CC(F)=C(OC)C=C1 N15380 [0,2,0,0,0,0|0,0,0]=2 253 B13R1.3088 C=C[C@H](N)C1=CC(F)=C(OC)C=C1 N15381 [0,2,0,0,0,0|0,0,0]=2 254 B13R1.3088 CC[C@H](N)C1=CC(C)=C(OC)C=C1 N12643 [0,2,0,0,0,0|0,0,2]=4 255 B13R1.3088 CC[C@H](N)C1=CC(F)=C(OC)C=C1 N11085 [0,2,0,0,0,0|0,0,2]=4 256 B13R1.3088 COC1=C(Br)C=C([C@@H](N)CN)C=C1 N13732 [0,2,0,0,0,0|1,0,1]=4 257 B13R1.3088 COC1=C(Br)C=C([C@@H](N)CN)C=C1 N13733 [0,2,0,0,0,0|1,0,1]=4 258 B13R1.3088 COC1=C(Br)C=C([C@@H](N)CN)C=C1 N13734 [0,2,0,0,0,0|1,0,1]=4 259 B13R1.3088 COC1=C(Cl)C=C([C@@H](N)CN)C=C1 N13723 [0,2,0,0,0,0|1,0,1]=4 260 B13R1.3088 COC1=C(Cl)C=C([C@@H](N)CN)C=C1 N13724 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.3088 COC1=C(Cl)C=C([C@@H](N)CN)C=C1 N13725 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.3088 COC1=C(Cl)C=C([C@@H](N)CO)C=C1 N12735 [0,2,0,0,0,0|1,0,1]=4 263 B13R1.3088 COC1=C(F)C=C([C@@H](N)CN)C=C1 N13667 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.3088 COC1=C(F)C=C([C@@H](N)CN)C=C1 N13668 [0,2,0,0,0,0|1,0,1]=4 265 B13R1.3088 COC1=C(F)C=C([C@@H](N)CN)C=C1 N13669 [0,2,0,0,0,0|1,0,1]=4 266 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 F16131 [0,2,0,0,0,0|0,0,2]=4 267 B13R1.3 COC1=CC=C(OC[C@H](C)N)C=C1 C78551 [0,2,0,0,0,0|0,0,2]=4 268 B13R1.77 NCCC1=CC=C(OCCO)C=C1 AC6223 [0,2,0,0,0,0|1,0,1]=4 269 B13R1.371 CCCNCC1=CC=C(OC)C=C1 C78567 [0,2,0,0,0,0|0,0,2]=4 270 B13R1.371 CNCCCC1=CC=C(OC)C=C1 C78497 [0,2,0,0,0,0|0,0,2]=4 271 B13R1.371 COC1=CC=C(CCCCN)C=C1 F17498 [0,2,0,0,0,0|0,0,2]=4 272 B13R1.371 COC1=CC=C(COCCBr)C=C1 A50738 [0,2,0,0,0,0|0,0,2]=4 273 B13R1.371 COC1=CC=C(COCSC)C=C1 F15287 [0,2,0,0,0,0|0,0,2]=4 274 B13R1.577 C=CCOC1=CC(F)=C(C#N)C=C1 W13139 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.1249 COC1=CC(OC)=C(CC#N)C=C1 AC5011 [0,2,0,0,0,0|1,0,1]=4 276 B13R1.1249 COC1=CC(OC)=C(CCO)C=C1 F11610 [0,2,0,0,0,0|1,0,1]=4 277 B13R1.1249 COC1=CC(OC)=C(CON)C=C1 C74058 [0,2,0,0,0,0|2,0,0]=4 278 B13R1.3945 COC1=CC(F)=C(CC#N)C(F)=C1 W11969 [0,2,0,0,0,0|1,0,1]=4 279 B13R1.4031 COC1=C(F)C=C(CC#N)C=C1F D96282 [0,2,0,0,0,0|1,0,1]=4 280 B11R1.13 C=CCC1=C(O)C(C)=CC=C1 AC5932 [0,0,1,1,0,0|2,0,0]=4 281 B11R1.280 C=CC1=C(Cl)C=CC(OC)=C1 D85759 [0,0,1,1,0,0|1,0,1]=4 282 B11R1.280 C=CC1=C(N)C=CC(OC)=C1 78403 [0,0,1,1,0,0|1,0,1]=4 283 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [1,0,0,1,0,0|0,0,2]=4 284 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [1,0,0,1,0,0|1,0,1]=4 285 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [1,0,0,1,0,0|1,0,1]=4 286 B11R2.36 CC1=CC2=CC=NN2C=C1 51003 [1,0,0,1,0,0|2,0,0]=4 287 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [1,0,0,1,0,0|2,0,0]=4 288 B11R2.36 FC1=CC2=C(C=C1)CC=C2 N14223 [1,0,0,1,0,0|1,0,0]=3 289 B11R2.36 FC1=CC2=C(C=C1)SC=C2 P15215 [1,0,0,1,0,0|2,0,0]=4 290 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [1,0,0,1,0,0|1,0,1]=4 291 B13R2.2121 COC1=CC2=C(C=C1)C=C(I)S2 C12034 [0,1,0,1,0,0|1,0,1]=4 292 B13R2.2121 COC1=CC2=C(C=C1)OC(C)=N2 AC6374 [0,1,0,1,0,0|1,0,1]=4 293 B13R2.2121 COC1=CC2=C(C=C1)SC(Br)=N2 S10142 [0,1,0,1,0,0|2,0,0]=4 294 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 N12621 [0,1,0,1,0,0|0,0,2]=4 295 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 N10955 [0,1,0,1,0,0|0,0,2]=4 296 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 N11042 [0,1,0,1,0,0|0,0,2]=4 297 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 89000 [0,1,0,1,0,0|1,0,1]=4 298 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 N10004 [0,1,0,1,0,0|1,0,1]=4 299 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 N10960 [0,1,0,1,0,0|1,0,1]=4 300 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 N10961 [0,1,0,1,0,0|1,0,1]=4 301 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](O)CC2 N14435 [0,1,0,1,0,0|0,0,2]=4 302 B13R2.2130 COC1=CN=C2C(=C1)C=CN2C 88589 [0,1,0,1,0,0|2,0,0]=4 303 B13R2.2130 COC1=NC2=C(C=C1)N(O)C=C2 D74365 [0,1,0,1,0,0|2,0,0]=4 304 B13R2.57 COC1=CC2=C(C=C1)COCC2 N14608 [0,1,0,1,0,0|0,0,2]=4 305 B13R2.57 COC1=CC2=C(C=C1)NCCN2 C72325 [0,1,0,1,0,0|1,0,1]=4 306 B13R2.57 COC1=CC2=NC=NC=C2C=C1 76421 [0,1,0,1,0,0|1,0,1]=4 307 B13R2.669 CCC1=CC2=C(C=C1)OCC2=O AC6735 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.669 COC1=CC2=C(Br)C=NN2C=C1 51014 [0,1,0,1,0,0|2,0,0]=4 309 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2O N14436 [0,1,0,1,0,0|0,0,2]=4 310 B13R2.669 COC1=CC2=C(C=C1)COB2O D73941 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.669 COC1=CC2=C(C=C1)NN=C2I 75851 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.669 COC1=CC2=C(C=C1)OC=C2Br C74713 [0,1,0,1,0,0|1,0,0]=3 313 B13R2.669 COC1=CC2=C(C=C1)OC=C2C 82257 [0,1,0,1,0,0|1,0,0]=3 314 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N11234 [0,1,0,1,0,0|1,0,1]=4 315 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N11257 [0,1,0,1,0,0|1,0,1]=4 316 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N16527 [0,1,0,1,0,0|1,0,1]=4 317 B13R2.669 COC1=CC2=C(C=C1)ON=C2Cl AT10780 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.669 COC1=CC2=C(C=C1)ONC2=O D78696 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.669 COC1=CC2=C(C=C1)SC=C2C AC9273 [0,1,0,1,0,0|1,0,0]=3 320 B13R2.60 CCOC1=CC=C(C2CC2)C=C1 AC8463 [0,1,0,1,0,0|0,0,2]=4 321 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OC=C2 92542 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.654 COC1=CC(Br)=C2OC=CC2=C1 AC7187 [0,1,0,1,0,0|1,0,0]=3 323 B13R2.654 COC1=CC(C)=C2C=CNC2=C1 O11604 [0,1,0,1,0,0|1,0,1]=4 324 B13R2.2170 COC1=CC(N)=C(C2CC2)C=C1 AC9666 [0,1,0,1,0,0|0,0,2]=4 325 B13R2.449 CCOC1=CC2=C(C=C1)NC=C2 24610 [0,1,0,1,0,0|1,0,0]=3 326 B13R2.449 CCOC1=CC2=C(C=C1)NN=C2 78353 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.449 CCOC1=NC2=C(C=C1)NC=C2 F11174 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.449 OCCC1=CC2=C(C=C1)OC=C2 71980 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.84 COC1=C(C)C2=C(C=CN2)C=C1 76376 [0,1,0,1,0,0|1,0,1]=4 330 B13R2.84 COC1=C(F)C2=C(C=CN2)C=C1 94824 [0,1,0,1,0,0|1,0,1]=4 331 B13R2.2396 COC1=C(C)C=C(C2CC2)C=C1 AC9572 [0,1,0,1,0,0|0,0,2]=4 332 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [1,0,0,0,1,0|2,0,0]=4 333 B9R1.21 COC1=CC=C(C=O)S1 F53534 [1,0,0,0,1,0|2,0,0]=4