0 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.22 C1=CC(=CC=C1C(C#N)N)F PI-15928 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.1 C1=CC(=CC=C1N=C=O)F PI-19081 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.1 CC1=CC=C(C=C1)N=C=S PI-48734 [1,0,0,0,0,0|1,1,1]=4 27 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.1 O=C=Nc1ccc(cc1)Cl PI-11417 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,0,0,0,0,0|1,0,1]=3 59 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,0,0,0,0,0|1,0,1]=3 60 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,0,0,0,0,0|1,0,1]=3 63 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,0,0,0,0,0|1,0,1]=3 70 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,0,0,0,0,0|1,0,1]=3 71 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,0,0,0,0,0|0,0,1]=2 75 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,0,0,0,0,0|1,0,1]=3 76 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,0,0,0,0,0|1,1,1]=4 77 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,0,0,0,0,0|0,0,1]=2 78 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,0,0,0,0,0|0,0,1]=2 79 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,0,0,0,0,0|0,0,1]=2 80 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,0,0,0,0,0|1,0,1]=3 81 B10R1.13 CC1=NC=C(C=C1)[N+](=O)[O-] PI-24226 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,0,0,0,0,0|1,0,1]=3 86 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,0,0,0,0,0|1,0,1]=3 88 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,0,0,0,0,0|1,0,1]=3 90 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,0,0,0,0,0|0,0,1]=2 93 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,0,0,0,0,0|1,0,1]=3 100 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [1,0,0,0,0,0|1,0,1]=3 114 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,0,0,0,0,0|1,0,2]=4 119 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,0,0,0,0,0|1,0,2]=4 120 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,0,0,0,0,0|1,0,1]=3 122 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,0,0,0,0,0|1,0,1]=3 129 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,0,0,0,0,0|1,0,2]=4 132 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,0,0,0,0,0|1,0,2]=4 133 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,0,0,0,0,0|1,0,2]=4 134 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,0,0,0,0,0|1,0,2]=4 135 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O PI-42642 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.12 O=CC(C=O)c1ccc(Br)cc1 PI-22501 [0,1,0,0,0,0|1,0,1]=3 137 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26151 [0,1,0,0,0,0|1,0,1]=3 138 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26801 [0,1,0,0,0,0|1,0,1]=3 139 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br PI-30107 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-15413 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21861 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21862 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16851 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16852 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O PI-27356 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br PI-12127 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl PI-11218 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [0,1,0,0,0,0|0,0,0]=1 150 B12R1.20 CC1=CC=C(C=C1)N(C)C(=S)Cl PI-24488 [0,1,0,0,0,0|1,1,0]=3 151 B12R1.20 CN(C1=CC=C(C=C1)Br)C(=S)Cl PI-22520 [0,1,0,0,0,0|2,1,0]=4 152 B12R1.20 NC(c1ccc(cc1)F)C(=O)O PI-10414 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N PI-27478 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.20 OC(c1ccc(cc1)F)C(=O)O PI-12126 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)C=O PI-21222 [0,1,0,0,0,0|2,0,1]=4 156 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 PI-41874 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.612 CN1C=CC2=C1C=CC(=C2)N PI-45196 [0,0,0,1,0,0|3,0,0]=4 158 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [2,0,0,0,0,0|1,0,1]=4 169 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [2,0,0,0,0,0|1,0,1]=4 170 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [2,0,0,0,0,0|1,1,0]=4 171 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [2,0,0,0,0,0|1,0,1]=4 175 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [2,0,0,0,0,0|1,0,1]=4 176 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [2,0,0,0,0,0|1,0,1]=4 178 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [2,0,0,0,0,0|0,0,2]=4 179 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.1 CCc1ccc(C)cc1 PI-36542 [2,0,0,0,0,0|0,0,0]=2 186 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.1 CNc1ccc(cc1)Br PI-21585 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.1 COc1ccc(cc1)Br PI-34196 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 COc1ccc(cc1)I PI-33808 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.1 COc1ccc(cc1)O PI-31355 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 CSc1ccc(cc1)O PI-18075 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.1 NCc1ccc(F)cc1 PI-11985 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.1 NCc1ccc(cc1)Br PI-20544 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.1 NCc1ccc(cc1)Br PI-38542 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.1 NNc1ccc(C)cc1 PI-13126 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [2,0,0,0,0,0|1,0,0]=3 206 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.1 OCc1ccc(S)cc1 PI-35674 [2,0,0,0,0,0|1,0,1]=4 209 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [2,0,0,0,0,0|1,0,1]=4 210 B9R1.1 OCc1ccc(cc1)I PI-33685 [2,0,0,0,0,0|1,0,1]=4 211 B9R1.1 OCc1ccc(cc1)O PI-29788 [2,0,0,0,0,0|1,0,1]=4 212 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [2,0,0,0,0,0|1,0,1]=4 213 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [2,0,0,0,0,0|0,1,1]=4 214 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.8 COCC1=CC=CC=C1 PI-19695 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [2,0,0,0,0,0|1,0,1]=4 220 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [2,0,0,0,0,0|1,0,1]=4 221 B9R1.8 NOCc1ccccc1 PI-11329 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [2,0,0,0,0,0|1,0,1]=4 223 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [2,0,0,0,0,0|1,0,1]=4 224 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [2,0,0,0,0,0|1,0,1]=4 225 B9R1.6 CC(=O)c1cccnc1 PI-32250 [2,0,0,0,0,0|1,0,1]=4 226 B9R1.6 CC(=O)c1ccncc1 PI-38297 [2,0,0,0,0,0|1,0,1]=4 227 B9R1.6 CC(C)c1ccncc1 PI-16693 [2,0,0,0,0,0|1,0,1]=4 228 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.6 CC(c1ccccn1)N PI-38576 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.6 CC(c1ccncc1)N PI-38572 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [2,0,0,0,0,0|0,0,1]=3 233 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [2,0,0,0,0,0|1,0,1]=4 234 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [2,0,0,0,0,0|1,0,1]=4 238 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [2,0,0,0,0,0|1,0,1]=4 239 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [2,0,0,0,0,0|0,0,1]=3 241 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [2,0,0,0,0,0|0,1,1]=4 242 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.1 C1=CC(=CC=C1\C=C\C=O)Br PI-46501 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.1 C1=CC(=CC=C1\C=C\C=O)F PI-46524 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.1 CC1=CC=C(C=C1)CN=C=O PI-11439 [1,1,0,0,0,0|0,0,1]=3 248 B11R1.1 CC1=CC=C(C=C1)OCC#N PI-30497 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.1 O=C=NCc1ccc(cc1)F PI-19104 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.1 O=C\C=C/c1ccc(F)cc1 PI-32827 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [1,1,0,0,0,0|0,0,0]=2 271 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [1,1,0,0,0,0|1,1,0]=4 273 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [1,1,0,0,0,0|0,0,0]=2 276 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [1,1,0,0,0,0|1,1,0]=4 277 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.81 CC1=CC(=C(C=C1)NC=O)C PI-23924 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [1,1,0,0,0,0|0,0,2]=4 285 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.83 COCc1ccc(cc1)OC PI-35666 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.83 COc1ccc(cc1)N=C=O PI-39302 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.83 CSC1=CC=C(C=C1)CC#N PI-50651 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.192 C=CCc1ccc(F)c(C)c1 PI-23775 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.192 N#CCc1ccc(C)c(F)c1 PI-23763 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.192 NCCc1ccc(c(c1)C)C PI-23900 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.3 C1=CC(=CC=C1CN)[N+](=O)[O-] PI-41579 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [1,1,0,0,0,0|0,0,2]=4 299 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [1,1,0,0,0,0|0,0,2]=4 300 B11R1.3 CC(C)C1=CC=C(C=C1)C#C PI-30350 [1,1,0,0,0,0|0,0,2]=4 301 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [1,1,0,0,0,0|0,0,1]=3 302 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [1,1,0,0,0,0|0,0,1]=3 304 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [1,1,0,0,0,0|0,0,1]=3 305 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [1,1,0,0,0,0|0,0,1]=3 306 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] PI-26020 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] PI-12010 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.3 C[C@@H](C1=CC=C(C=C1)C#N)O PI-49825 [1,1,0,0,0,0|0,0,2]=4 318 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [1,1,0,0,0,0|0,0,1]=3 319 B11R1.3 C[C@H](C1=CC=C(C=C1)C#N)O PI-49824 [1,1,0,0,0,0|0,0,2]=4 320 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.3 NCC1=CC=C([N+]([O-])=O)C=C1 PI-26234 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.3 NNc1ccc(cc1)C(C)C PI-29077 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.3 NNc1ccc(cc1)C(C)C PI-29812 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.3 OCc1ccc(cc1)[N+](=O)[O-] PI-32225 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.19 Brc1ccc(cc1)C(C)(C)C PI-11587 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.19 Brc1ccc(cc1)S(=O)(=O)C PI-22518 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Cl PI-34169 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.19 CC(C)(C)C1=CC=C(C=C1)I PI-15640 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N PI-22877 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.19 CC(C)(C)c1ccc(S)cc1 PI-23054 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.19 CC(C1=CC=C(Br)C=C1)(F)C PI-46657 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.19 CC(C1=CC=C(C=C1)Br)(F)F PI-42710 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C PI-31987 [1,1,0,0,0,0|0,0,1]=3 336 B11R1.19 CC1=CC=C(C=C1)C(F)(F)F PI-28686 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C PI-25437 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)F PI-24422 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-48935 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-49467 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] PI-18245 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] PI-30710 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.19 CC1=CC=C(S(=O)([O-])=O)C=C1 PI-10885 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N PI-12897 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O PI-37598 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] PI-23777 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O PI-41319 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.19 O=S(C1=CC=C(F)C=C1)(C)=O PI-29606 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.19 Oc1ccc(cc1)S(=O)(=O)C PI-27192 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1F)C PI-16887 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Br PI-21542 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.21 CC(c1ccc(c(c1)N)C)C PI-19295 [1,1,0,0,0,0|0,0,1]=3 365 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [1,1,0,0,0,0|0,0,1]=3 366 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [1,1,0,0,0,0|0,0,1]=3 367 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [1,1,0,0,0,0|1,0,1]=4 372 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-34331 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I PI-26904 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O PI-28629 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Br)C PI-11805 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [1,1,0,0,0,0|1,0,1]=4 388 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [1,1,0,0,0,0|1,0,1]=4 389 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [1,1,0,0,0,0|1,0,1]=4 390 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [1,1,0,0,0,0|1,0,1]=4 391 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [1,1,0,0,0,0|1,0,1]=4 393 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.166 CC(N)C1=CC=C(Cl)C=C1Cl PI-41295 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [1,1,0,0,0,0|0,0,1]=3 400 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [1,1,0,0,0,0|1,0,1]=4 402 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [1,1,0,0,0,0|1,0,1]=4 403 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [1,1,0,0,0,0|1,0,1]=4 404 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Cl PI-16550 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F PI-10269 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])I PI-19675 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N PI-26762 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])O PI-28770 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [1,1,0,0,0,0|0,0,1]=3 413 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [1,1,0,0,0,0|1,0,1]=4 416 B11R1.7 C#CC(c1ccccc1)(O)C PI-39335 [1,1,0,0,0,0|1,0,1]=4 417 B11R1.7 CCC(C)(C)C1=CC=CC=C1 PI-12312 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.7 C[Si](C)(C=C)C1=CC=CC=C1 PI-46042 [1,1,0,0,0,0|1,1,0]=4 419 B11R1.12 CCC(C#N)C1=CC=CC=C1 PI-11343 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [1,1,0,0,0,0|0,0,2]=4 425 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [1,1,0,0,0,0|0,0,0]=2 426 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [1,1,0,0,0,0|0,0,0]=2 427 B11R1.36 CN(C1=CC=CC=C1)C(=S)Cl PI-24196 [1,1,0,0,0,0|1,1,0]=4 428 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [1,1,0,0,0,0|0,0,0]=2 429 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [1,1,0,0,0,0|1,0,1]=4 432 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [1,1,0,0,0,0|1,0,0]=3 434 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [1,1,0,0,0,0|1,0,0]=3 435 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [0,1,0,0,0,1|2,0,0]=4 436 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [0,1,0,0,0,1|2,0,0]=4 438 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [0,1,0,0,0,1|2,0,0]=4 439 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [0,1,0,0,0,1|2,0,0]=4 440 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [0,1,0,0,0,1|2,0,0]=4 441 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [0,1,0,0,0,1|2,0,0]=4 442 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [0,1,0,0,0,1|2,0,0]=4 443 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [0,1,0,0,0,1|2,0,0]=4 444 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [0,1,0,0,0,1|2,0,0]=4 445 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [0,1,0,0,0,1|2,0,0]=4 446 B13R1.133 CC(=CC1=CC=C(C=C1)F)C(=O)O PI-36345 [0,1,0,0,0,1|1,0,1]=4 447 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [0,1,0,0,0,1|1,0,0]=3 448 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [0,1,0,0,0,1|1,0,0]=3 449 B13R1.133 Clc1ccc(cc1)OC(C)C(=O)O PI-32596 [0,1,0,0,0,1|1,0,0]=3 450 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [0,1,0,0,0,1|2,0,0]=4 451 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [0,1,0,0,0,1|2,0,0]=4 452 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [0,1,0,0,0,1|2,0,0]=4 453 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [0,1,0,0,0,1|2,0,0]=4 454 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [0,1,0,0,0,1|2,0,0]=4 455 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [0,1,0,0,0,1|2,0,0]=4 456 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [0,1,0,0,0,1|2,0,0]=4 457 B13R1.133 Oc1ccc(cc1)C[C@H](O)C(=O)O PI-36348 [0,1,0,0,0,1|2,0,0]=4 458 B13R1.133 Oc1ccc(cc1)O[C@H](C)C(=O)O PI-12991 [0,1,0,0,0,1|1,0,0]=3 459 B13R1.36 CC(C1=CC=C(C=C1)CBr)C(=O)O PI-31018 [0,2,0,0,0,0|0,0,0]=2 460 B13R1.36 CC(C1=CC=C(C=C1)CCl)C(=O)O PI-44150 [0,2,0,0,0,0|0,0,0]=2 461 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)N PI-36242 [0,2,0,0,0,0|1,0,0]=3 462 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)N PI-39650 [0,2,0,0,0,0|1,0,0]=3 463 B13R1.39 OCc1ccc(cc1)C(OC)OC PI-27284 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)CCl PI-15217 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.522 CC(C)(C1=CC=C(C=C1)Br)C(=O)O PI-13413 [0,2,0,0,0,0|1,0,0]=3 466 B13R1.522 CC(C)(C1=CC=C(C=C1)Cl)C(=O)O PI-30800 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43723 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43789 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl PI-30270 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F PI-15932 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43808 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O PI-43854 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N PI-30845 [0,2,0,0,0,0|1,0,0]=3 474 B13R1.163 C1=CC(=C(C=C1F)F)C(C(=O)O)N PI-45573 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.163 C1=CC(=C(C=C1F)F)C(C(=O)O)O PI-21173 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.163 OC(=O)C(O)c1ccc(Br)cc1F PI-21455 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)F)F PI-16855 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)O)O PI-27202 [0,2,0,0,0,0|2,0,0]=4 479 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [1,0,0,1,0,0|2,0,0]=4 480 B11R2.36 CC1=CC2=C(C=C1)N=CN2 PI-29770 [1,0,0,1,0,0|2,0,0]=4 481 B11R2.36 CC1=CC2=C(C=C1)N=CS2 PI-45360 [1,0,0,1,0,0|1,1,0]=4 482 B11R2.36 CC1=CC2=C(C=C1)OC=N2 PI-10825 [1,0,0,1,0,0|2,0,0]=4 483 B11R2.36 CC1=CC=C2SC=CC2=C1 PI-14225 [1,0,0,1,0,0|2,0,0]=4 484 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [1,0,0,1,0,0|1,0,1]=4 485 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [1,0,0,1,0,0|0,1,1]=4 486 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [1,0,0,1,0,0|2,0,0]=4 487 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,1,0,0|1,0,1]=4 488 B11R2.1 Cn1ccc2ccccc12 PI-11080 [1,0,0,1,0,0|2,0,0]=4 489 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [1,0,0,1,0,0|1,0,1]=4 490 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [1,0,0,1,0,0|0,0,2]=4 491 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [1,0,0,1,0,0|0,0,2]=4 492 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [1,0,0,1,0,0|0,0,2]=4 493 B13R2.3028 CC1CC2=CC=C(F)C=C2C1=O PI-40267 [0,0,0,1,0,1|1,0,0]=3 494 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 PI-11530 [0,0,0,1,0,1|1,0,1]=4 495 B13R2.3028 O=C1C(C)CC2=C1C=C(Br)C=C2 PI-40265 [0,0,0,1,0,1|1,0,0]=3 496 B13R2.3683 Cc1ccc2nc(C)ccc2c1 PI-11770 [0,0,0,1,0,1|1,0,1]=4 497 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [0,1,0,1,0,0|1,0,1]=4 498 B13R2.5187 CC1=CC2=C(C=C1)C(=O)NC2=O PI-33555 [0,1,0,1,0,0|1,0,1]=4 499 B13R2.5187 Cc1ccc2c(c1)C(=O)OC2=O PI-31763 [0,1,0,1,0,0|1,0,1]=4 500 B13R2.2988 CC1=CC=C(C=C1)C2CC2(F)F PI-19709 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [1,0,0,0,1,0|1,0,1]=4 502 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [1,0,0,0,0,1|1,0,1]=4