0 B10R1.1 BrC#CC1=CC=C(Br)C=C1 94425 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.1 CC1=CC=C(C#CBr)C=C1 94424 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.1 CC1=NC=C(\C=C\Br)C=C1 F50214 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [0,0,0,0,0,0|1,1,1]=3 10 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.1 ClC1=CC=C(C#CBr)C=C1 94423 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.1 N#CCC1=NC=C(F)C=C1 O10489 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.1 [N-]=[N+]=NC1=CC=C(I)C=C1 AC6317 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [1,0,0,0,0,0|1,1,1]=4 28 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [1,0,0,0,0,0|1,1,0]=3 36 B9R1.1 NCC1=NC=C(F)C=C1 83593 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.1 OCC1=NC=C(O)C=N1 72629 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.8 IC#CC1=CC=CC=C1 N11813 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.8 NNCC1=NC=CC=C1 P10521 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.1 C#CCNC1=CC=C(Cl)C=C1 D75666 [0,1,0,0,0,0|1,0,2]=4 56 B11R1.1 C#CCOC1=CC=C(I)C=C1 AT23376 [0,1,0,0,0,0|1,0,2]=4 57 B11R1.1 C=CCOC1=CC=C(Br)C=C1 71195 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.1 C=C\C=C\C1=CC=C(F)C=C1 59824 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.1 CC1=CC=C(OCC#N)C=C1 AC7568 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.1 CONCC1=CC=C(Br)C=C1 N11596 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [0,1,0,0,0,0|1,0,2]=4 67 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 72674 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [0,1,0,0,0,0|0,0,2]=3 69 B11R1.1 NC1=CC=C(OCCCl)C=C1 72016 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.1 NC1=CC=C(OCCO)C=C1 F16836 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.1 NCCSC1=CC=C(Br)C=C1 C78402 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 AB6809 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.1 OCCNC1=CC=C(F)C=C1 I11182 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.1 OCCSC1=CC=C(Br)C=C1 AT20956 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 AT26502 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,1,0,0,0,0|1,0,2]=4 81 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,1,0,0,0,0|0,0,2]=3 83 B11R1.20 FC1=CC=C(OC(=S)Cl)C=C1 T72468 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 28377 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 C16184 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.22 C#C[C@@H](O)C1=CC=C(Br)C=C1 AC6934 [0,1,0,0,0,0|1,0,2]=4 88 B11R1.22 C#C[C@@H](O)C1=CC=C(C)C=C1 AC6704 [0,1,0,0,0,0|1,0,2]=4 89 B11R1.22 C#C[C@@H](O)C1=CC=C(Cl)C=C1 AC5833 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 N15257 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 N15258 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15265 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15266 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15267 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.22 C=C[C@H](N)C1=CC=C(Cl)C=C1 E72771 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.22 C=C[C@H](N)C1=CC=C(Cl)C=C1 N15246 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.22 C=C[C@H](N)C1=CC=C(Cl)C=C1 N15247 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.22 C=C[C@H](N)C1=CC=C(Cl)C=C1 N15248 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.22 C=C[C@H](N)C1=CC=C(F)C=C1 N15237 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.22 C=C[C@H](N)C1=CC=C(F)C=C1 N15238 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15298 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15299 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15300 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [0,1,0,0,0,0|1,0,2]=4 113 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11091 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11092 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.22 C[C@@H](CN)C1=CC=C(Cl)C=C1 F20636 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.22 C[C@H](C#N)C1=CC=C(F)C=C1 AT19993 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13423 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13424 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13425 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13446 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13447 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13448 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N12560 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13414 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13415 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13416 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13438 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13439 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13400 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13401 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13402 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13406 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13407 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13408 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 58433 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 C78230 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.22 N[C@@H](CF)C1=CC=C(Br)C=C1 N14615 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.22 N[C@@H](CF)C1=CC=C(F)C=C1 N14614 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N11131 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,1,0,0,0,0|1,0,2]=4 147 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.22 O[C@@H](CCl)C1=CC=C(Br)C=C1 58431 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.81 CNCC1=C(Cl)C=C(F)C=C1 76695 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.81 CNCC1=C(F)C=C(F)C=C1 36787 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.81 COCC1=C(Cl)C=C(Br)C=C1 N11614 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.81 N#CCC1=C(I)C=C(Br)C=C1 D85729 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 P18612 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.81 NCCC1=C(Br)C=C(Cl)C=C1 AC3186 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.81 NCCC1=C(Br)C=C(F)C=C1 AC7044 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.81 NCCC1=C(F)C=C(Br)C=C1 50240 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.81 NCCC1=C(F)C=C(O)C=C1 F51014 [0,1,0,0,0,0|1,0,1]=3 160 B11R1.81 NNCC1=C(Br)C=C(F)C=C1 AC5368 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 AC4339 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 P10432 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 A12240 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 P10526 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.81 NNCC1=C(F)C=C(Br)C=C1 AC5349 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.81 NNCC1=C(F)C=C(F)C=C1 AC5364 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.81 O=CCC1=C(Cl)C=C(Cl)C=C1 C15524 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.81 OCCC1=C(Br)C=C(Cl)C=C1 D85895 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.81 OCCC1=C(F)C=C(F)C=C1 A50720 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.81 O\N=C\C1=C(O)C=C(O)C=C1 S11928 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.83 C=CC1=CC=C(CCCl)C=C1 AC7198 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.83 C=CC1=CC=C(CCO)C=C1 AC6179 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [0,1,0,0,0,0|1,0,2]=4 174 B11R1.83 COC1=CN=C(CCN)C=C1 C15008 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.83 COC1=NC=C(CCN)C=C1 W10137 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.83 NCCC1=CC=C(CO)C=C1 20162 [0,1,0,0,0,0|1,0,1]=3 177 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 AB1475 [0,1,0,0,0,0|1,0,1]=3 178 B11R1.192 CC1=C(Br)C=C(CC#N)C=C1 97483 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.192 CC1=C(Cl)C=CC(CC#N)=C1 D96292 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.192 CCCC1=CC(Br)=C(Cl)C=C1 F31327 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.192 CNCC1=CC(F)=C(F)C=C1 N12835 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.192 ClC1=C(Cl)C=C(CCBr)C=C1 C78192 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.192 FC1=C(Br)C=CC(CCBr)=C1 AC8493 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.192 N#CCC1=CC(Br)=C(Cl)C=C1 D96285 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.192 N#CCC1=CC(F)=C(O)C=C1 F13577 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.192 NNCC1=CC(Br)=C(F)C=C1 E71963 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.192 NNCC1=CC(Cl)=C(Cl)C=C1 AC5360 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.192 NNCC1=CC(F)=C(F)C=C1 AC5348 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.192 O=CCC1=CC(Cl)=C(Cl)C=C1 25894 [0,1,0,0,0,0|2,0,0]=3 191 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [0,0,0,1,0,0|1,0,2]=4 192 B11R2.34 ClC1=CC=C(C2CC2)C=C1 AC9567 [0,0,0,1,0,0|1,0,2]=4 193 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [0,0,0,1,0,0|2,0,1]=4 194 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [0,0,0,1,0,0|2,0,1]=4 195 B11R2.36 CC1=CC2=CC=NN2C=C1 51003 [0,0,0,1,0,0|3,0,0]=4 196 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [0,0,0,1,0,0|2,0,0]=3 197 B11R2.36 ClC1=CN2C=CC=C2C=C1 SC1109 [0,0,0,1,0,0|2,0,1]=4 198 B11R2.36 FC1=CC2=C(C=C1)CC=C2 N14223 [0,0,0,1,0,0|1,0,0]=2 199 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [0,0,0,1,0,0|1,0,2]=4 200 B11R2.36 FC1=CC2=C(C=C1)N=CO2 AC5634 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.36 FC1=CC2=C(C=C1)SC=C2 P15215 [0,0,0,1,0,0|2,0,0]=3 202 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [0,0,0,1,0,0|1,0,2]=4 203 B11R2.36 IC1=CC2=C(C=C1)CNC2 32000 [0,0,0,1,0,0|2,0,1]=4 204 B11R2.36 IC1=CC2=C(C=C1)SC=N2 D78574 [0,0,0,1,0,0|3,0,0]=4 205 B11R2.36 NC1=CC2=C(C=C1)CNC2 SC4171 [0,0,0,1,0,0|2,0,1]=4 206 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [0,0,0,1,0,0|1,0,1]=3 207 B11R2.36 OC1=CC2=C(C=CS2)N=C1 36039 [0,0,0,1,0,0|2,0,1]=4 208 B11R2.36 OC1=CN=C2CCCC2=C1 F30817 [0,0,0,1,0,0|1,0,2]=4 209 B11R2.36 OC1=CN=C2NC=NC2=C1 F18727 [0,0,0,1,0,0|3,0,0]=4 210 B11R2.36 OC1=NC2=C(C=C1)CCC2 20278 [0,0,0,1,0,0|1,0,2]=4 211 B11R2.36 SC1=CC2=C(C=C1)NN=C2 F18088 [0,0,0,1,0,0|2,1,0]=4 212 B8R1.2 C=CC1=CC=CN=C1 71366 [2,0,0,0,0,0|1,0,0]=3 213 B8R1.2 C=CC1=NC=CN=C1 T72447 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|1,0,0]=3 215 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.3 CC1=CN=C(O)N=C1 W10551 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [2,0,0,0,0,0|2,0,0]=4 219 B10R0.78 C=CCNC(=O)\C=C/C(=O)O E72400 [0,1,1,0,0,0|2,0,0]=4 220 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.3 OCC1=CN=C(CO)C=C1 AC5585 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [1,1,0,0,0,0|0,0,1]=3 231 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [1,1,0,0,0,0|0,0,1]=3 232 B10R1.13 NC1=CC=C(C(F)F)C=C1 84195 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.25 BrCC1=C(Br)C=C(Br)C=C1 C90776 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.25 C=CC1=C(Br)C=C(Cl)C=N1 BL010236 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.25 C=CC1=C(Cl)C=C(F)C=N1 BL010212 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.25 C=CC1=C(F)C=C(Cl)C=C1 AC6667 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.25 C=CC1=NC=C(Cl)C=C1F BL010235 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.25 CC1=C(CBr)C=CC(N)=C1 98280 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.25 FC1=CC(F)=C(CS)C=C1 AT13686 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.25 NC1=C(CO)C=CC(F)=C1 AC5155 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.25 NC1=CC(F)=C(CO)C=C1 AT26531 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.25 NC1=CC(O)=C(CO)C=C1 D76340 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11648 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.25 NCC1=C(Cl)C=C(O)C=C1 F52064 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.25 NCC1=C(F)C=C(N)C=C1 C90567 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14307 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.25 NCC1=C(N)C=C(Cl)C=C1 AC6575 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.25 NCC1=C(O)C=C(Br)C=C1 AT19138 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.25 NCC1=C(O)C=C(O)C=C1 I11211 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 C90858 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 C90809 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.25 OCC1=C(O)C=C(F)C=C1 A51208 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.176 BrCC1=CC(Br)=C(I)C=C1 AT26690 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.176 BrCC1=CC(I)=C(Br)C=C1 97476 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.176 CC1=C(Br)C=CC(CCl)=C1 D87322 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [1,1,0,0,0,0|0,0,1]=3 272 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.176 FC1=C(Br)C=C(CCl)C=C1 W16546 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.176 FC1=C(Br)C=CC(CCl)=C1 96328 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 CK1006 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.176 NCC1=CC(O)=C(N)C=C1 F13360 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.176 O=C1C=C(CO)C=CN1O C92065 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.176 O=CC1=CC(Br)=C(I)C=C1 AT26050 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 AT23715 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.176 OCC1=CC(I)=C(Br)C=C1 97475 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.176 OCC1=CC=C(O)C(Br)=N1 F53642 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,1,0,0,0,0|0,0,2]=4 286 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|0,0,2]=4 291 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|0,0,2]=4 298 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [1,1,0,0,0,0|0,0,2]=4 307 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.17 O=C\C=C\C1=CC=NC=C1 T72403 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,1,0,0,0,0|0,0,2]=4 315 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,1,0,0,0,0|0,0,2]=4 316 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16764 [0,1,0,0,1,0|2,0,0]=4 320 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16766 [0,1,0,0,1,0|2,0,0]=4 321 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16767 [0,1,0,0,1,0|2,0,0]=4 322 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,2,0,0,0,0|1,0,1]=4 323 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [0,2,0,0,0,0|1,0,1]=4 324 B12R1.21 C[C@H](N)CCC1=CC=C(O)C=C1 N14377 [0,2,0,0,0,0|0,0,2]=4 325 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [0,2,0,0,0,0|1,0,0]=3 327 B12R1.49 C=CC(=O)NC1=CC=C(C)C=C1 N11698 [0,2,0,0,0,0|1,0,1]=4 328 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,2,0,0,0,0|1,0,1]=4 329 B12R1.49 CCC(=O)CC1=CC=C(I)C=C1 85181 [0,2,0,0,0,0|1,0,1]=4 330 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [0,2,0,0,0,0|1,0,1]=4 331 B12R1.49 N#CC(=O)CC1=CC=C(Cl)C=C1 83342 [0,2,0,0,0,0|1,0,1]=4 332 B12R1.49 NCC(=O)CC1=CC=C(F)C=C1 D87535 [0,2,0,0,0,0|1,0,1]=4 333 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C78266 [0,2,0,0,0,0|0,0,2]=4 334 B12R1.69 CC1=C(OCC=O)C=CC(Cl)=C1 H11069 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.71 C#CCOC1=CC=C(CO)C=C1 C15641 [0,2,0,0,0,0|0,0,2]=4 336 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [0,2,0,0,0,0|0,0,0]=2 337 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,2,0,0,0,0|0,0,0]=2 338 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [0,2,0,0,0,0|0,0,1]=3 339 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [0,2,0,0,0,0|0,0,2]=4 340 B12R1.71 COC1=CC=C(NCCN)C=C1 AC5715 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.385 O=C\C=C\C1=CC(F)=C(F)C=C1 43886 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,2,0,0,0,0|0,0,2]=4 344 B12R1.4 NNC1=CC=C(CC(N)=O)C=C1 F30826 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.19 CC1=C(Cl)C=CC(CC(=O)O)=C1 D96291 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.19 N=C(N)CC1=CC(F)=C(F)C=C1 S11009 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Br)C=C1 N15666 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.20 CC(=O)[C@H](N)C1=CC=C(C)C=C1 N15700 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N15653 [0,2,0,0,0,0|1,0,1]=4 350 B12R1.20 CC(=O)[C@H](N)C1=CC=C(F)C=C1 N15652 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.20 CC(=O)[C@H](N)C1=CC=C(N)C=C1 N16145 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.20 CC(O)C(N)C1=CC=C(O)C=C1 N15674 [0,2,0,0,0,0|0,0,2]=4 353 B12R1.20 CC(O)[C@H](N)C1=CC=C(O)C=C1 N15675 [0,2,0,0,0,0|0,0,2]=4 354 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11713 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(N)C=C1 AC1408 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15676 [0,2,0,0,0,0|0,0,2]=4 358 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15678 [0,2,0,0,0,0|0,0,2]=4 359 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15677 [0,2,0,0,0,0|0,0,2]=4 360 B12R1.20 NC(=O)[C@H](N)C1=CC=C(F)C=C1 C77553 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10974 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 AC7645 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Br)C=C1 98573 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 98571 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.20 O=C(O)[C@H](F)C1=CC=C(F)C=C1 98569 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.106 CC(C)(N)CC1=CC=C(O)C=C1 F30911 [0,2,0,0,0,0|0,0,2]=4 367 B12R1.233 C=C(C)OC1=C(C)C=C(Cl)C=C1 H11070 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.233 CC(=O)CC1=C(Cl)C=C(F)C=C1 F30166 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.233 CC(=O)CC1=C(F)C=C(Cl)C=C1 96498 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.5 C#C[C@@H](O)C1=CC=C(OC)C=C1 AC5064 [0,2,0,0,0,0|0,0,2]=4 371 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15274 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15275 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15276 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15289 [0,2,0,0,0,0|0,0,0]=2 375 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15290 [0,2,0,0,0,0|0,0,0]=2 376 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15291 [0,2,0,0,0,0|0,0,0]=2 377 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [0,2,0,0,0,0|0,0,2]=4 378 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [0,2,0,0,0,0|0,0,2]=4 379 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [0,2,0,0,0,0|0,0,2]=4 380 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [0,2,0,0,0,0|1,0,1]=4 381 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [0,2,0,0,0,0|1,0,1]=4 382 B12R1.5 COC1=CC=C([C@@H](N)CF)C=C1 N14616 [0,2,0,0,0,0|1,0,1]=4 383 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13480 [0,2,0,0,0,0|1,0,1]=4 384 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13481 [0,2,0,0,0,0|1,0,1]=4 385 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13482 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13488 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13489 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13490 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.5 COC1=CC=C([C@@H](O)CN)C=C1 C78301 [0,2,0,0,0,0|1,0,1]=4 390 B12R1.12 N#C[C@@H](C=O)C1=CC=C(F)C=C1 F31088 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.367 C=C[C@H](N)C1=CC(C)=C(C)C=C1 N15442 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.367 C=C[C@H](N)C1=CC(C)=C(C)C=C1 N15443 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.367 C=C[C@H](N)C1=CC(C)=C(C)C=C1 N15444 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Br)C=C1 N15411 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Br)C=C1 N15412 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Br)C=C1 N15413 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(C)C=C1 N15414 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(C)C=C1 N15415 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(C)C=C1 N15416 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N15407 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N15409 [0,2,0,0,0,0|1,0,0]=3 402 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N15410 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Br)C=C1 N15372 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Br)C=C1 N15373 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Br)C=C1 N15374 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.367 C=C[C@H](N)C1=CC(F)=C(C)C=C1 N15375 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.367 C=C[C@H](N)C1=CC(F)=C(C)C=C1 N15377 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.367 C=C[C@H](N)C1=CC(F)=C(C)C=C1 N15378 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Cl)C=C1 N15369 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Cl)C=C1 N15370 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Cl)C=C1 N15371 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.367 C=C[C@H](N)C1=CC(F)=C(F)C=C1 N15366 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.367 C=C[C@H](N)C1=CC(F)=C(F)C=C1 N15367 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.367 C=C[C@H](N)C1=CC(F)=C(F)C=C1 N15368 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 D97793 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Br)C=C1 N15336 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Br)C=C1 N15337 [0,2,0,0,0,0|1,0,0]=3 418 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Br)C=C1 N15338 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(C)C=C1 N15339 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(C)C=C1 N15340 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(C)C=C1 N15341 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Cl)C=C1 N15333 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Cl)C=C1 N15334 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Cl)C=C1 N15335 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(F)C=C1 N15330 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(F)C=C1 N15331 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(F)C=C1 N15332 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.1123 NCCC1=CC(O)=C(O)C=C1O D87854 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.113 C=CCC1=CC=C(C(N)=O)C=C1 AC2805 [0,2,0,0,0,0|0,0,1]=3 430 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 C15909 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.113 NOCC1=CC=C(C(=O)O)C=C1 AT14532 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.116 CCOC1=CC=C(CCO)C=C1 C78072 [0,2,0,0,0,0|1,0,1]=4 433 B12R1.288 COC1=C(F)C=C(CCN)C=C1 D87759 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.44 CCCC1=CC(F)=C(O)C(F)=C1 36960 [0,2,0,0,0,0|0,0,2]=4 435 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 C15472 [0,2,0,0,0,0|0,0,2]=4 436 B10R2.7 C1=CC2=C(C=CO2)C=N1 D74565 [1,0,0,1,0,0|2,0,0]=4 437 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|1,0,1]=4 438 B12R2.24 BrC1=CC2=C(C=C1)CCN=C2 AT22654 [0,1,0,1,0,0|1,0,1]=4 439 B12R2.24 NC1=CC=C2N=CC=CC2=C1 F19169 [0,1,0,1,0,0|1,0,1]=4 440 B12R2.24 OC1=CC2=C(C=C1)NCCO2 P20506 [0,1,0,1,0,0|1,0,1]=4 441 B12R2.79 NC1CC1C2=CC=C(O)C=C2 AT19453 [0,1,0,1,0,0|0,0,2]=4 442 B12R2.79 NC1CC1C2=CC=C(O)C=C2 D88027 [0,1,0,1,0,0|0,0,2]=4 443 B12R2.132 BrC1=CC2=C(C=C1)NC=C2Br C16409 [0,1,0,1,0,0|2,0,0]=4 444 B12R2.132 CC1=CC2=C(C=C1)COC2=O F13924 [0,1,0,1,0,0|2,0,0]=4 445 B12R2.132 CC1=CC2=C(C=C1)SC=C2C 60584 [0,1,0,1,0,0|2,0,0]=4 446 B12R2.132 CC1=NNC2=C1C=C(O)C=C2 83020 [0,1,0,1,0,0|1,0,1]=4 447 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 C90107 [0,1,0,1,0,0|2,0,0]=4 448 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 S10690 [0,1,0,1,0,0|2,0,0]=4 449 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 41007 [0,1,0,1,0,0|0,0,2]=4 450 B12R2.132 O=C1C=CC2=C1C=C(Br)C=C2 D78663 [0,1,0,1,0,0|1,0,1]=4 451 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 52578 [0,1,0,1,0,0|2,0,0]=4 452 B12R2.132 OC1=CC2=C(C=C1)ON=C2Cl AT24771 [0,1,0,1,0,0|2,0,0]=4 453 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 D78665 [0,1,0,1,0,0|2,0,0]=4 454 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 AC5757 [0,1,0,1,0,0|2,0,0]=4 455 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 A12583 [0,1,0,1,0,0|1,0,1]=4 456 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 75571 [0,1,0,1,0,0|1,0,1]=4 457 B12R2.606 ClC1=CC2=C(C=C1)SC(Br)=C2 F19742 [0,1,0,1,0,0|2,0,0]=4 458 B12R2.606 NC1=CC2=C(C=CC(Br)=C2)S1 P16602 [0,1,0,1,0,0|2,0,0]=4 459 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 D77666 [0,1,0,1,0,0|2,0,0]=4 460 B12R2.606 OC1=CC2=C(C=C1)C[C@H](O)C2 F53501 [0,1,0,1,0,0|0,0,2]=4 461 B12R2.612 CN1C=CC2=C1C=CC(F)=C2 98405 [0,1,0,1,0,0|2,0,0]=4 462 B12R2.246 CC1=CC(F)=C2NC=CC2=C1 68932 [0,1,0,1,0,0|2,0,0]=4 463 B12R2.246 NC1=C2NC=CC2=CC(F)=C1 P18386 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [0,1,0,1,0,0|0,0,2]=4 465 B12R2.44 BrCC1=CC2=C(C=C1)OC=C2 AC5003 [0,1,0,1,0,0|2,0,0]=4 466 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [0,1,0,1,0,0|0,0,2]=4 467 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F13229 [0,1,0,1,0,0|2,0,0]=4 468 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F20150 [0,1,0,1,0,0|2,0,0]=4 469 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 73943 [0,1,0,1,0,0|2,0,0]=4 470 B12R2.44 NNC1=CC2=C(C=C1)NC=C2 F17872 [0,1,0,1,0,0|2,0,0]=4 471 B12R2.44 OCC1=CC2=C(C=C1)CCC2 AT13427 [0,1,0,1,0,0|0,0,2]=4 472 B12R2.44 OCC1=CN2C=CN=C2C=C1 C14949 [0,1,0,1,0,0|2,0,0]=4 473 B12R2.82 CC1=C(N)C=CC2=C1C=CN2 51990 [0,1,0,1,0,0|2,0,0]=4 474 B12R2.82 FC1=C(Br)C2=C(C=C1)OC=C2 F53265 [0,1,0,1,0,0|2,0,0]=4 475 B12R2.82 FC1=C(Cl)C2=C(C=C1)NC=C2 F30325 [0,1,0,1,0,0|2,0,0]=4 476 B12R2.82 NC1=C(Br)C2=C(C=C1)NC=C2 AC4737 [0,1,0,1,0,0|2,0,0]=4 477 B12R2.82 OC1=C(F)C2=C(C=CO2)C=C1 AC2179 [0,1,0,1,0,0|1,0,1]=4 478 B12R2.100 CC1=C(O)C=C2C=CNC2=C1 85913 [0,1,0,1,0,0|1,0,0]=3 479 B12R2.100 FC1=C(Br)C=C2OC=CC2=C1 C91342 [0,1,0,1,0,0|2,0,0]=4 480 B12R2.100 FC1=C(F)C=C2CC=CC2=C1 F12459 [0,1,0,1,0,0|1,0,0]=3 481 B12R2.100 FC1=C(I)C=C2C=CNC2=C1 AC7204 [0,1,0,1,0,0|2,0,0]=4 482 B12R2.100 NC1=C(O)C=C2C=NNC2=C1 F18010 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 P11885 [0,1,0,1,0,0|1,0,0]=3 484 B12R2.100 OC1=C(F)C=C2NC=CC2=C1 Y10133 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.8 O=CCC1=CC=CS1 O10539 [1,0,0,0,1,0|2,0,0]=4