0 B11R1.83 C=CC1=CC=C(CCCl)C=C1 AC7198 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.83 C=CC1=CC=C(CCO)C=C1 AC6179 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.83 CCNC1=NC=C(C#N)C=C1 88568 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.83 CCOC1=CC=C(CCl)C=C1 60965 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.83 CCOC1=CN=C(CO)C=C1 CL0296 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.83 CCSC1=CC=C(CN)C=C1 AT20991 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.83 CCSC1=CN=C(C#N)C=C1 58222 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.83 COC1=CN=C(CCN)C=C1 C15008 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.83 COC1=NC=C(CCN)C=C1 W10137 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.83 COC1=NC=C(CCN)C=N1 AT18225 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.83 COC1=NC=C(CCN)C=N1 AT18231 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.83 COC1=NC=C(CCO)C=N1 AT18226 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.83 NCCC1=CC=C(CO)C=C1 20162 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 AB1475 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.1 CC1=CC=C(C#CBr)C=C1 94424 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,0,0,0,0,0|1,1,0]=3 25 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [1,0,0,0,0,0|1,1,0]=3 41 B10R1.3 CNC1=CN=C(OC)N=C1 AT18224 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.3 CNC1=NC=C(OC)C=N1 AT18373 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.3 COC1=CN=C(CCl)N=C1 F30448 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.3 COC1=CN=C(CCl)N=C1 P16747 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.3 COC1=CN=C(CN)N=C1 F30456 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.3 COC1=NC=C(CCl)C=N1 AT18228 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.3 COC1=NC=C(CCl)C=N1 P14060 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.3 COC1=NN=C(CBr)C=C1 94344 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.3 COC1=NN=C(CCl)C=C1 94346 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [1,0,0,0,0,0|1,0,1]=3 56 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,1,0,0,0,0|1,0,1]=3 59 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,1,0,0,0,0|0,0,0]=1 60 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.4 CSC1=CC=C(OC(F)F)C=C1 W16571 [0,1,0,0,0,0|2,1,0]=4 62 B12R1.5 C#C[C@@H](O)C1=CC=C(OC)C=C1 AC5064 [0,1,0,0,0,0|0,0,2]=3 63 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15274 [0,1,0,0,0,0|1,0,2]=4 64 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15275 [0,1,0,0,0,0|1,0,2]=4 65 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15276 [0,1,0,0,0,0|1,0,2]=4 66 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15289 [0,1,0,0,0,0|0,0,2]=3 67 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15290 [0,1,0,0,0,0|0,0,2]=3 68 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15291 [0,1,0,0,0,0|0,0,2]=3 69 B12R1.5 CCC1=CC=C(C(=O)CO)C=C1 AC2757 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13461 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13462 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13463 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.5 CC[C@H](Cl)C1=CN=C(OC)C=C1 91403 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [0,1,0,0,0,0|0,0,0]=1 76 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [0,1,0,0,0,0|0,0,0]=1 77 B12R1.5 CC[C@H](N)C1=CC=C(SC)C=C1 N11382 [0,1,0,0,0,0|0,1,0]=2 78 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 N11202 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 N11365 [0,1,0,0,0,0|1,0,0]=2 80 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [0,1,0,0,0,0|1,0,2]=4 82 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.5 COC1=CC=C([C@@H](N)CF)C=C1 N14616 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13480 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13481 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13482 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13488 [0,1,0,0,0,0|1,0,0]=2 88 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13489 [0,1,0,0,0,0|1,0,0]=2 89 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13490 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.5 COC1=CC=C([C@@H](O)CN)C=C1 C78301 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.5 COC1=NC=C(C(=O)CCl)C=C1 D77905 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 F16997 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 Y11425 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 H10559 [0,1,0,0,0,0|1,1,1]=4 95 B12R1.5 CSC1=CC=C([C@@H](N)CO)C=C1 H10359 [0,1,0,0,0,0|1,1,0]=3 96 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [0,1,0,0,0,0|0,0,1]=2 97 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,1,0,0,0,0|0,0,2]=3 98 B12R1.71 CCC1=CC=C(CCCO)C=C1 C77990 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [0,1,0,0,0,0|0,0,1]=2 100 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [0,1,0,0,0,0|0,0,0]=1 101 B12R1.71 COC1=CC=C(NCCN)C=C1 AC5715 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.71 CSC1=CC=C(CCCN)C=C1 N13315 [0,1,0,0,0,0|0,1,0]=2 103 B12R1.71 CSC1=CC=C(OCC#N)C=C1 AC9751 [0,1,0,0,0,0|1,1,1]=4 104 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 C13364 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.113 CCOC1=CC=C([C@@H](N)O)C=C1 E72788 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 C77727 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 C15909 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F51015 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F52005 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.114 CCOC1=C(O)C=C(C=O)C=C1 A51060 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.116 CCOC1=CC=C(CCO)C=C1 C78072 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.116 ClCCC1=CC=C(CCCl)C=C1 T71283 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.288 CCOC1=CC(F)=C(C=O)C=C1 36525 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.288 CCOC1=CC(F)=C(CBr)C=C1 D80283 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.288 CCOC1=CC(F)=C(CN)C=C1 N14202 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.288 COC1=C(F)C=C(CCN)C=C1 D87759 [0,1,0,0,0,0|1,0,0]=2 117 B12R2.9 BrCC1=CC=C(C2CC2)C=C1 51969 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.9 CCC1=CC=C(C2CC2)C=C1 AC8465 [0,0,0,1,0,0|1,0,0]=2 119 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [0,0,0,1,0,0|0,0,0]=1 120 B12R2.9 ClCC1=CC=C(C2CC2)C=C1 P12610 [0,0,0,1,0,0|2,0,0]=3 121 B12R2.9 N#CC1=CN=C(C2CC2)C=C1 AC2752 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.9 NCC1=CC=C(C2CC2)C=C1 33490 [0,0,0,1,0,0|2,0,0]=3 123 B12R2.44 BrCC1=CC2=C(C=C1)CCC2 71843 [0,0,0,1,0,0|2,0,0]=3 124 B12R2.44 CNC1=CC2=C(C=C1)CCC2 F12591 [0,0,0,1,0,0|1,0,0]=2 125 B12R2.44 COC1=CC2=C(C=C1)SN=N2 D77627 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [0,0,0,1,0,0|0,0,2]=3 127 B12R2.44 COC1=CN=C2CNCC2=C1 F19782 [0,0,0,1,0,0|2,0,0]=3 128 B12R2.44 ClCC1=CC2=C(C=C1)CCC2 AT13426 [0,0,0,1,0,0|2,0,0]=3 129 B12R2.44 N#CC1=NC2=C(C=C1)CCC2 F53682 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.44 NCC1=CC2=C(C=C1)CNC2 D87544 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.44 OCC1=CC2=C(C=C1)CCC2 AT13427 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [2,0,0,0,0,0|1,1,0]=4 135 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.1 COC1=CN=C(I)C=C1 F17075 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [2,0,0,0,0,0|1,1,0]=4 138 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [2,0,0,0,0,0|1,1,0]=4 140 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.8 BrCCC1=CN=CC=C1 C77647 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.8 CCCC1=CC=CN=C1 O11051 [2,0,0,0,0,0|1,0,0]=3 143 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.8 CNNC1=CC=CC=C1 C77159 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.8 FCCC1=CC=CC=C1 75534 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.8 NCCC1=CC=CC=C1 T71816 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.8 NCCC1=CC=CC=C1 T72591 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.8 OCCC1=CC=NC=C1 T72404 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.8 SCCC1=NC=CC=C1 F18309 [2,0,0,0,0,0|2,0,0]=4 150 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [1,1,0,0,0,0|0,0,0]=2 151 B11R1.1 CC1=CC=C(OCC#N)C=C1 AC7568 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [1,1,0,0,0,0|1,0,0]=3 153 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [1,1,0,0,0,0|0,0,0]=2 154 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.1 CONCC1=CC=C(Br)C=C1 N11596 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [1,1,0,0,0,0|1,0,0]=3 158 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [1,1,0,0,0,0|0,0,1]=3 159 B11R1.1 NC1=CC=C(OCCCl)C=C1 72016 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.1 NC1=CC=C(OCCO)C=C1 F16836 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.1 NCCSC1=CC=C(Br)C=C1 C78402 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.1 OCCNC1=CC=C(F)C=C1 I11182 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.1 OCCSC1=CC=C(Br)C=C1 AT20956 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [1,1,0,0,0,0|0,0,0]=2 167 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [1,1,0,0,0,0|0,0,0]=2 170 B11R1.22 C#C[C@@H](O)C1=CC=C(C)C=C1 AC6704 [1,1,0,0,0,0|0,0,2]=4 171 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15265 [1,1,0,0,0,0|0,0,2]=4 172 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15266 [1,1,0,0,0,0|0,0,2]=4 173 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15267 [1,1,0,0,0,0|0,0,2]=4 174 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15298 [1,1,0,0,0,0|0,0,2]=4 175 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15299 [1,1,0,0,0,0|0,0,2]=4 176 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15300 [1,1,0,0,0,0|0,0,2]=4 177 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11154 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11155 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11091 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11092 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.22 C[C@@H](CN)C1=CC=C(Cl)C=C1 F20636 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13423 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13424 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13425 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13446 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13447 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13448 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N12560 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13414 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13415 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13416 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13438 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13439 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13400 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13401 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13402 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13406 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13407 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13408 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 58433 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 C78230 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.22 N[C@@H](CF)C1=CC=C(Br)C=C1 N14615 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.22 N[C@@H](CF)C1=CC=C(F)C=C1 N14614 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N11131 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.22 O[C@@H](CCl)C1=CC=C(Br)C=C1 58431 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [1,1,0,0,0,0|0,0,0]=2 228 B11R1.81 CCNC1=C(N)C=C(Br)C=C1 89427 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 93939 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.81 CCOC1=C(Br)C=C(N)C=C1 N12647 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.81 CNCC1=C(Cl)C=C(F)C=C1 76695 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.81 CNCC1=C(F)C=C(F)C=C1 36787 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.81 COCC1=C(Cl)C=C(Br)C=C1 N11614 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 P18612 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.81 NCCC1=C(Br)C=C(Cl)C=C1 AC3186 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.81 NCCC1=C(Br)C=C(F)C=C1 AC7044 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.81 NCCC1=C(F)C=C(Br)C=C1 50240 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.81 NCCC1=C(F)C=C(O)C=C1 F51014 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.81 OCCC1=C(Br)C=C(Cl)C=C1 D85895 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.81 OCCC1=C(F)C=C(F)C=C1 A50720 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.192 CC1=C(Br)C=C(CC#N)C=C1 97483 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.192 CCCC1=CC(Br)=C(Cl)C=C1 F31327 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.192 CCOC1=CC(N)=C(N)C=C1 34477 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.192 CCSC1=CC(Cl)=C(Br)C=C1 89705 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.192 CNCC1=CC(F)=C(F)C=C1 N12835 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.192 ClC1=C(Cl)C=C(CCBr)C=C1 C78192 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.192 FC1=C(Br)C=CC(CCBr)=C1 AC8493 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.192 N#CCC1=CC(F)=C(O)C=C1 F13577 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90819 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90820 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [1,1,0,0,0,0|0,1,0]=3 262 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [1,1,0,0,0,0|0,1,0]=3 263 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [1,1,0,0,0,0|0,1,0]=3 264 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [1,1,0,0,0,0|0,1,0]=3 265 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16855 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13987 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.279 C#CC1=C(Br)C=C(OC)C=C1 AT26829 [1,1,0,0,0,0|0,0,2]=4 270 B11R1.279 CCC1=C(O)C=C(OC)C=C1 75531 [1,1,0,0,0,0|0,0,0]=2 271 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 AT26698 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.279 COC1=C(Br)C=C(CN)C=C1 AC5724 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.279 COC1=C(C)C=C(CCl)C=C1 F14712 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.279 COC1=C(Cl)C=C(CN)C=N1 F50183 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.279 COC1=C(F)C=C(CO)C=N1 97679 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.279 COC1=C(N)C=C(C=O)C=C1 26715 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.279 COC1=CC(C)=C(NN)C=C1 D87953 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.279 COC1=CC(F)=C(CO)C=N1 97685 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.279 COC1=CC(O)=C(CO)C=C1 AC7760 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.279 COC1=CC=C(CO)C(Cl)=N1 C71897 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.279 COC1=CC=C(CO)N=C1Br F53393 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.279 COC1=CC=C(CO)N=C1I F53668 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.279 COC1=NC(C)=C(CO)C=C1 O10141 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.279 CSC1=C(C)C=C(CN)C=C1 AT20988 [1,1,0,0,0,0|1,1,0]=4 285 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 AC6367 [0,2,0,0,0,0|0,0,0]=2 286 B13R1.4 COC1=CC=C(CS(=O)(=O)Cl)C=C1 C71364 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.5 CC[C@H](N)CC1=CC=C(OC)C=C1 N14555 [0,2,0,0,0,0|0,0,0]=2 288 B13R1.5 COC1=CC=C(\C=C(/C)C=O)C=C1 F15127 [0,2,0,0,0,0|0,0,2]=4 289 B13R1.35 COC1=C(Br)C=C(NC(C)=O)C=C1 96535 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.36 C=CC1=CC=C(C(N)C(C)O)C=C1 N16181 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.36 C=CC1=CC=C([C@@H](N)C(C)O)C=C1 N16180 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.36 C=CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N16177 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.36 C=CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N16179 [0,2,0,0,0,0|1,0,1]=4 294 B13R1.36 C=CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N16178 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.36 CCC1=CC=C(C(N)C(C)O)C=C1 N15712 [0,2,0,0,0,0|1,0,0]=3 296 B13R1.36 CCC1=CC=C([C@@H](N)C(C)=O)C=C1 N15713 [0,2,0,0,0,0|1,0,1]=4 297 B13R1.36 CCC1=CC=C([C@@H](N)C(C)O)C=C1 N15711 [0,2,0,0,0,0|1,0,0]=3 298 B13R1.36 CCC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15708 [0,2,0,0,0,0|1,0,0]=3 299 B13R1.36 CCC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15710 [0,2,0,0,0,0|1,0,0]=3 300 B13R1.36 CCC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15709 [0,2,0,0,0,0|1,0,0]=3 301 B13R1.36 COC1=CC=C(C(=O)C(F)F)C=C1 55169 [0,2,0,0,0,0|1,0,1]=4 302 B13R1.36 COC1=CC=C(C(=O)[C@H](C)Br)C=C1 I11749 [0,2,0,0,0,0|0,0,1]=3 303 B13R1.36 COC1=CC=C(C(N)C(C)O)C=C1 N15668 [0,2,0,0,0,0|0,0,0]=2 304 B13R1.36 COC1=CC=C([C@@H](N)C(C)=O)C=C1 N15667 [0,2,0,0,0,0|0,0,1]=3 305 B13R1.36 COC1=CC=C([C@@H](N)C(C)O)C=C1 N15669 [0,2,0,0,0,0|0,0,0]=2 306 B13R1.36 COC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15670 [0,2,0,0,0,0|0,0,0]=2 307 B13R1.36 COC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15673 [0,2,0,0,0,0|0,0,0]=2 308 B13R1.36 COC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15671 [0,2,0,0,0,0|0,0,0]=2 309 B13R1.36 COC1=CC=C([C@@H](O)C(C)C)C=C1 F50466 [0,2,0,0,0,0|0,0,0]=2 310 B13R1.36 CSC1=CC=C(C(N)C(C)O)C=C1 N15684 [0,2,0,0,0,0|0,1,0]=3 311 B13R1.36 CSC1=CC=C([C@@H](N)C(C)=O)C=C1 N15685 [0,2,0,0,0,0|0,1,1]=4 312 B13R1.36 CSC1=CC=C([C@@H](N)C(C)O)C=C1 N15683 [0,2,0,0,0,0|0,1,0]=3 313 B13R1.36 CSC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15680 [0,2,0,0,0,0|0,1,0]=3 314 B13R1.36 CSC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15682 [0,2,0,0,0,0|0,1,0]=3 315 B13R1.36 CSC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15681 [0,2,0,0,0,0|0,1,0]=3 316 B13R1.142 CC(=O)NC1=CC=C(CCN)C=C1 AB10067 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 AC6363 [0,2,0,0,0,0|1,0,0]=3 318 B13R1.142 CC(C)OC1=NC=C(CCN)C=C1 N13344 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.142 NNCC1=CC=C(OC(F)F)C=C1 W12216 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.142 OCCC1=CC=C(OC(F)F)C=C1 AT22189 [0,2,0,0,0,0|1,0,0]=3 321 B13R1.585 CC(=O)C1=CC=C(OC(C)C)C=C1 C78209 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 N12556 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.653 COC1=CC(C)=C(CC(C)=O)C=C1 70274 [0,2,0,0,0,0|0,0,1]=3 324 B13R1.653 COC1=CC(N)=C(OC(F)F)C=C1 AT12958 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.39 CC[C@@H](CN)C1=CC=C(OC)C=C1 C78273 [0,2,0,0,0,0|0,0,0]=2 326 B13R1.39 CN[C@@H](CO)C1=CC=C(OC)C=C1 N12830 [0,2,0,0,0,0|1,0,0]=3 327 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15342 [0,2,0,0,0,0|0,0,2]=4 328 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15343 [0,2,0,0,0,0|0,0,2]=4 329 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15344 [0,2,0,0,0,0|0,0,2]=4 330 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13756 [0,2,0,0,0,0|1,0,0]=3 331 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13757 [0,2,0,0,0,0|1,0,0]=3 332 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13758 [0,2,0,0,0,0|1,0,0]=3 333 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13763 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.95 COC1=CC(C)=C([C@@H](N)CN)C=C1 N13764 [0,2,0,0,0,0|1,0,0]=3 335 B13R1.95 COC1=CC(Cl)=C(C(=O)CO)C=C1 AC4001 [0,2,0,0,0,0|1,0,1]=4 336 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13634 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13635 [0,2,0,0,0,0|1,0,0]=3 338 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13636 [0,2,0,0,0,0|1,0,0]=3 339 B13R1.95 COC1=CC(F)=C([C@@H](N)CN)C=C1 N13560 [0,2,0,0,0,0|1,0,0]=3 340 B13R1.95 COC1=CC(F)=C([C@@H](N)CN)C=C1 N13561 [0,2,0,0,0,0|1,0,0]=3 341 B13R1.95 COC1=CC(F)=C([C@@H](N)CN)C=C1 N13562 [0,2,0,0,0,0|1,0,0]=3 342 B13R1.139 CCOC1=CC=C(C(=O)CO)C=C1 AC7211 [0,2,0,0,0,0|1,0,1]=4 343 B13R1.139 CCOC1=CC=C([C@@H](N)CO)C=C1 N13133 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.139 CCOC1=CC=C([C@@H](N)CO)C=C1 Y11664 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.139 CCOC1=NC=C([C@@H](N)CO)C=C1 73243 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.187 COC1=CC=C([Si](C)(C)CCl)C=C1 C15118 [0,2,0,0,0,0|1,1,0]=4 347 B13R1.452 C=CC[C@H](O)C1=CC=C(OC)C=C1 W18879 [0,2,0,0,0,0|0,0,1]=3 348 B13R1.452 CCCC(=O)C1=CC=C(C#N)C=C1 35254 [0,2,0,0,0,0|2,0,0]=4 349 B13R1.452 CCCC(=O)C1=CC=C(CC)C=C1 N13980 [0,2,0,0,0,0|1,0,0]=3 350 B13R1.452 COC[C@H](N)C1=CC=C(C#N)C=C1 F16944 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.537 CC(=O)C1=CC=C([C@@H](O)CN)C=C1 F30572 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13464 [0,2,0,0,0,0|2,0,0]=4 353 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13465 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13466 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13467 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13468 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.537 CC(C)C1=CC=C([C@@H](N)CN)C=C1 N13469 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.537 CC(C)C1=CC=C([C@@H](N)CO)C=C1 N15376 [0,2,0,0,0,0|2,0,0]=4 359 B13R1.537 CC(N)C1=CC=C(C(O)CO)C=C1 F30781 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.537 CCC(=O)C1=CC=C(N(C)C)C=C1 97342 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.537 CC[C@H](N)C1=CC=C(C(C)C)C=C1 N12484 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.537 CC[C@H](N)C1=CC=C(C(F)F)C=C1 N14666 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.3088 C=C[C@H](N)C1=CC(Cl)=C(OC)C=C1 N15417 [0,2,0,0,0,0|0,0,2]=4 364 B13R1.3088 C=C[C@H](N)C1=CC(Cl)=C(OC)C=C1 N15418 [0,2,0,0,0,0|0,0,2]=4 365 B13R1.3088 C=C[C@H](N)C1=CC(Cl)=C(OC)C=C1 N15420 [0,2,0,0,0,0|0,0,2]=4 366 B13R1.3088 C=C[C@H](N)C1=CC(F)=C(OC)C=C1 N15379 [0,2,0,0,0,0|0,0,2]=4 367 B13R1.3088 C=C[C@H](N)C1=CC(F)=C(OC)C=C1 N15380 [0,2,0,0,0,0|0,0,2]=4 368 B13R1.3088 C=C[C@H](N)C1=CC(F)=C(OC)C=C1 N15381 [0,2,0,0,0,0|0,0,2]=4 369 B13R1.3088 CCC(=O)C1=CC(Cl)=C(OC)C=C1 N14088 [0,2,0,0,0,0|0,0,1]=3 370 B13R1.3088 CC[C@H](N)C1=CC(C)=C(OC)C=C1 N12643 [0,2,0,0,0,0|0,0,0]=2 371 B13R1.3088 CC[C@H](N)C1=CC(F)=C(OC)C=C1 N11085 [0,2,0,0,0,0|0,0,0]=2 372 B13R1.3088 COC1=C(Br)C=C([C@@H](N)CN)C=C1 N13732 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.3088 COC1=C(Br)C=C([C@@H](N)CN)C=C1 N13733 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.3088 COC1=C(Br)C=C([C@@H](N)CN)C=C1 N13734 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.3088 COC1=C(Cl)C=C([C@@H](N)CN)C=C1 N13723 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.3088 COC1=C(Cl)C=C([C@@H](N)CN)C=C1 N13724 [0,2,0,0,0,0|1,0,0]=3 377 B13R1.3088 COC1=C(Cl)C=C([C@@H](N)CN)C=C1 N13725 [0,2,0,0,0,0|1,0,0]=3 378 B13R1.3088 COC1=C(Cl)C=C([C@@H](N)CO)C=C1 N12735 [0,2,0,0,0,0|1,0,0]=3 379 B13R1.3088 COC1=C(F)C=C([C@@H](N)CN)C=C1 N13667 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.3088 COC1=C(F)C=C([C@@H](N)CN)C=C1 N13668 [0,2,0,0,0,0|1,0,0]=3 381 B13R1.3088 COC1=C(F)C=C([C@@H](N)CN)C=C1 N13669 [0,2,0,0,0,0|1,0,0]=3 382 B13R1.3088 COC1=CC=C([C@@H](O)CN)N=C1Br F13352 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 98172 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.3 COC1=CC=C(OC[C@H](C)N)C=C1 C78551 [0,2,0,0,0,0|0,0,0]=2 385 B13R1.74 CCCCC1=CC=C([C@H](C)N)C=C1 N12752 [0,2,0,0,0,0|1,0,0]=3 386 B13R1.74 CCCOC1=CC=C(C(C)=O)C=C1 T72645 [0,2,0,0,0,0|1,0,0]=3 387 B13R1.74 CCCOC1=CC=C([C@H](C)N)C=C1 N12275 [0,2,0,0,0,0|1,0,0]=3 388 B13R1.74 CCOCC1=CC=C(C(=O)O)C=C1 F16173 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.74 CNCCC1=CC=C([N+](=O)[O-])C=C1 76739 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.74 NCCCC1=CC=C([N+](=O)[O-])C=C1 C78478 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.74 O=C(O)C1=CC=C(CCCF)C=C1 93475 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.77 NCCC1=CC=C(OCCO)C=C1 AC6223 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.371 CCCNCC1=CC=C(OC)C=C1 C78567 [0,2,0,0,0,0|0,0,0]=2 394 B13R1.371 CNCCCC1=CC=C(OC)C=C1 C78497 [0,2,0,0,0,0|0,0,0]=2 395 B13R1.371 COC1=CC=C(CCCCN)C=C1 F17498 [0,2,0,0,0,0|0,0,0]=2 396 B13R1.371 COC1=CC=C(COCCBr)C=C1 A50738 [0,2,0,0,0,0|0,0,0]=2 397 B13R1.371 COC1=CC=C(COCSC)C=C1 F15287 [0,2,0,0,0,0|0,0,0]=2 398 B13R1.371 CSC1=CC=C(OCCCN)C=C1 AC3269 [0,2,0,0,0,0|0,1,0]=3 399 B13R1.140 CC(C)(C)C1=CC=C(CCN)C=C1 A10279 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.385 CN(C)C1=C(F)C=C(CCN)C=C1 78921 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.1249 COC1=CC(OC)=C(CC#N)C=C1 AC5011 [0,2,0,0,0,0|1,0,1]=4 402 B13R1.1249 COC1=CC(OC)=C(CCO)C=C1 F11610 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.1249 COC1=CC(OC)=C(CON)C=C1 C74058 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.3945 COC1=CC(F)=C(CC#N)C(F)=C1 W11969 [0,2,0,0,0,0|1,0,1]=4 405 B13R1.386 CCCC1=CC(OC)=C(CO)C=C1 D85803 [0,2,0,0,0,0|2,0,0]=4 406 B13R1.386 COCC1=CC(OC)=C(OC)C=N1 F12450 [0,2,0,0,0,0|2,0,0]=4 407 B13R1.4031 COC1=C(F)C=C(CC#N)C=C1F D96282 [0,2,0,0,0,0|1,0,1]=4 408 B11R1.267 CCC1=CC=CC(OC)=C1F 57989 [0,0,1,1,0,0|1,0,1]=4 409 B11R1.267 CCC1=CC=CC(OC)=C1O O10769 [0,0,1,1,0,0|1,0,1]=4 410 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [1,0,0,1,0,0|0,0,0]=2 411 B11R2.34 ClC1=CC=C(C2CC2)C=C1 AC9567 [1,0,0,1,0,0|1,0,0]=3 412 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [1,0,0,1,0,0|1,0,0]=3 413 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [1,0,0,1,0,0|1,0,0]=3 414 B11R2.36 CC1=NC=C2CNCC2=C1 F17653 [1,0,0,1,0,0|2,0,0]=4 415 B11R2.36 CC1=NC=C2CNCC2=C1 S11542 [1,0,0,1,0,0|2,0,0]=4 416 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [1,0,0,1,0,0|1,0,0]=3 417 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [1,0,0,1,0,0|1,0,0]=3 418 B11R2.36 IC1=CC2=C(C=C1)CNC2 32000 [1,0,0,1,0,0|2,0,0]=4 419 B11R2.36 NC1=CC2=C(C=C1)CNC2 SC4171 [1,0,0,1,0,0|2,0,0]=4 420 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [1,0,0,1,0,0|2,0,0]=4 421 B11R2.36 NC1=CN=C2CCCC2=C1 F30816 [1,0,0,1,0,0|2,0,0]=4 422 B11R2.36 OC1=CN=C2CCCC2=C1 F30817 [1,0,0,1,0,0|1,0,0]=3 423 B11R2.36 OC1=NC2=C(C=C1)CCC2 20278 [1,0,0,1,0,0|1,0,0]=3 424 B13R2.2121 COC1=CC2=C(C=C1)OC(C)=N2 AC6374 [0,1,0,1,0,0|1,0,1]=4 425 B13R2.185 NCC1=CC=C(C2COC2)C=C1 85369 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.185 O=CC1=CC=C(C2CCC2)C=C1 33448 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 N12621 [0,1,0,1,0,0|0,0,0]=2 428 B13R2.186 COC1=CN=C(C2(N)CC2)C=C1 59918 [0,1,0,1,0,0|1,0,0]=3 429 B13R2.186 COC1=CN=C(C2(N)CC2)C=C1 F53758 [0,1,0,1,0,0|1,0,0]=3 430 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 Y10030 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.2130 CCC1=CC2=C(C=C1)[C@@H](N)CO2 N16573 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.2130 CCC1=CC2=C(C=C1)[C@@H](N)CO2 N16574 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.2130 CCC1=CC2=C(C=C1)[C@@H](N)CO2 N16575 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.2130 COC1=CC2=C(C=C1)B(O)OC2 F53636 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 N10955 [0,1,0,1,0,0|0,0,0]=2 436 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 N11042 [0,1,0,1,0,0|0,0,0]=2 437 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 89000 [0,1,0,1,0,0|1,0,0]=3 438 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 N10004 [0,1,0,1,0,0|1,0,0]=3 439 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 N10960 [0,1,0,1,0,0|1,0,0]=3 440 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CO2 N10961 [0,1,0,1,0,0|1,0,0]=3 441 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](O)CC2 N14435 [0,1,0,1,0,0|0,0,0]=2 442 B13R2.2130 CSC1=CC2=C(C=C1)C(=O)CC2 79916 [0,1,0,1,0,0|0,1,1]=4 443 B13R2.2130 CSC1=CC2=C(C=C1)[C@@H](N)CO2 N16543 [0,1,0,1,0,0|1,1,0]=4 444 B13R2.2130 CSC1=CC2=C(C=C1)[C@@H](N)CO2 N16545 [0,1,0,1,0,0|1,1,0]=4 445 B13R2.2130 CSC1=CC2=C(C=C1)[C@@H](N)CO2 N16546 [0,1,0,1,0,0|1,1,0]=4 446 B13R2.57 COC1=CC2=C(C=C1)COCC2 N14608 [0,1,0,1,0,0|0,0,0]=2 447 B13R2.57 COC1=CC2=C(C=C1)NCCN2 C72325 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.57 COC1=NC2=C(C=C1)NCCN2 68653 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.57 COC1=NC2=C(C=N1)CNCC2 20266 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.57 COC1=NC=C2CCNCC2=C1 F13195 [0,1,0,1,0,0|1,0,0]=3 451 B13R2.57 O=CC1=CC2=C(C=C1)CCOC2 94694 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.57 O=CC1=CC2=C(C=C1)COCC2 94695 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.57 OCC1=CC2=C(C=C1)CNCC2 W14964 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16570 [0,1,0,1,0,0|2,0,0]=4 455 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16571 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16572 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2O N14436 [0,1,0,1,0,0|0,0,0]=2 458 B13R2.669 COC1=CC2=C(C=C1)COB2O D73941 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.669 COC1=CC2=C(C=C1)OC=C2C 82257 [0,1,0,1,0,0|0,0,2]=4 460 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N11234 [0,1,0,1,0,0|1,0,0]=3 461 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N11257 [0,1,0,1,0,0|1,0,0]=3 462 B13R2.669 COC1=CC2=C(C=C1)OC[C@@H]2N N16527 [0,1,0,1,0,0|1,0,0]=3 463 B13R2.669 COC1=CC2=C(C=C1)SC=C2C AC9273 [0,1,0,1,0,0|0,0,2]=4 464 B13R2.669 CSC1=CC2=C(C=C1)OC[C@@H]2N N16547 [0,1,0,1,0,0|1,1,0]=4 465 B13R2.669 CSC1=CC2=C(C=C1)OC[C@@H]2N N16548 [0,1,0,1,0,0|1,1,0]=4 466 B13R2.669 CSC1=CC2=C(C=C1)OC[C@@H]2N N16549 [0,1,0,1,0,0|1,1,0]=4 467 B13R2.60 CCOC1=CC=C(C2CC2)C=C1 AC8463 [0,1,0,1,0,0|0,0,0]=2 468 B13R2.428 CN(C)C1=CC=C(C2CC2)C=C1 AC9114 [0,1,0,1,0,0|1,0,0]=3 469 B13R2.428 NC(=O)C1=CC=C(C2CC2)C=C1 AC9861 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.428 O=[N+]([O-])C1=CC=C(C2CC2)C=C1 D77964 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.430 CC(=O)C1=CC2=C(C=C1)CNC2 F19658 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.430 C[C@H](Cl)C1=CC2=C(C=C1)OCC2 92474 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)CCC2 N12716 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)CCO2 N15488 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)CCO2 N15489 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.430 C[C@H](O)C1=CC2=C(C=C1)CCO2 92507 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.430 C[C@H](O)C1=CC2=C(C=C1)OCC2 92473 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.430 OB(O)C1=CC2=C(C=C1)CCC2 W17823 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.654 COC1=CC(N)=C2OCOC2=C1 F14455 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.2170 COC1=CC(N)=C(C2CC2)C=C1 AC9666 [0,1,0,1,0,0|0,0,0]=2 481 B13R2.449 ClCCC1=CC2=C(C=C1)NCC2 F18446 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.449 OCCC1=CC2=C(C=C1)OC=C2 71980 [0,1,0,1,0,0|1,0,1]=4 483 B13R2.2396 COC1=C(C)C=C(C2CC2)C=C1 AC9572 [0,1,0,1,0,0|0,0,0]=2 484 B9R1.7 CC1=CC=C(CCN)S1 31616 [1,0,0,0,1,0|2,0,0]=4 485 B9R1.7 CC1=CSC(CCN)=C1 96997 [1,0,0,0,1,0|2,0,0]=4 486 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [1,0,0,0,1,0|2,0,0]=4 487 B9R1.7 CNCC1=CC=C(C)S1 75578 [1,0,0,0,1,0|2,0,0]=4