0 B10R1.13 B(C1=CC=C(C=C1)N)(O)O PI-25845 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.13 B(C1=CC=C(C=C1)S)(O)O PI-33001 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 B(C1=CN=C(C=C1)C)(O)O PI-44977 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 B(C1=NC=C(C=C1)C)(O)O PI-25499 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 Brc1ccc(cc1)B(O)O PI-25661 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 Brc1ccc(cn1)[N+](=O)[O-] PI-10084 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 Brc1ccc(nc1)[N+](=O)[O-] PI-16738 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [0,0,0,0,0,0|2,1,0]=3 26 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])N PI-31194 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.13 C1=CC(=O)NC=C1[N+](=O)[O-] PI-11016 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.13 C1=C[N+](=CC=C1[N+](=O)[O-])[O-] PI-30069 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,0,0,0,0,0|1,0,0]=1 48 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [0,0,0,0,0,0|1,0,2]=3 53 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [0,0,0,0,0,0|2,0,1]=3 54 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [0,0,0,0,0,0|1,0,2]=3 55 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,0,0,0,0,0|1,0,0]=1 56 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [0,0,0,0,0,0|1,0,2]=3 58 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,0,0,0,0,0|0,0,0]=0 60 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,0,0,0,0,0|1,0,0]=1 61 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [0,0,0,0,0,0|1,1,0]=2 62 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [0,0,0,0,0,0|0,0,2]=2 63 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [0,0,0,0,0,0|0,0,2]=2 64 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [0,0,0,0,0,0|0,0,2]=2 65 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,0,0,0,0,0|1,0,0]=1 66 B10R1.13 CC1=NC=C(C=C1)[N+](=O)[O-] PI-24226 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.13 CN(C)C1=NC=C(Br)C=C1 PI-46676 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.13 CN(C)C1=NC=C(C=C1)N PI-33882 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [0,0,0,0,0,0|1,0,2]=3 73 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [0,0,0,0,0,0|2,0,1]=3 74 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [0,0,0,0,0,0|1,0,2]=3 75 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [0,0,0,0,0,0|2,0,1]=3 76 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [0,0,0,0,0,0|1,0,2]=3 77 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [0,0,0,0,0,0|1,0,2]=3 79 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [0,0,0,0,0,0|1,0,1]=2 80 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [0,0,0,0,0,0|2,0,0]=2 81 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,0,0,0,0,0|2,0,0]=2 82 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,0,0,0,0,0|2,0,0]=2 86 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,0,0,0,0,0|1,0,0]=1 87 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.13 Clc1ccc(cn1)[N+](=O)[O-] PI-23540 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.13 Clc1ccc(nc1)[N+](=O)[O-] PI-10384 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.13 Fc1ccc(cc1)B(O)O PI-31092 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,0,0,0,0,0|2,0,0]=2 93 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [0,0,0,0,0,0|1,0,2]=3 94 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.13 Fc1ccc(cn1)[N+](=O)[O-] PI-34426 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.13 IC1=CC=C(B(O)O)C=C1 PI-33000 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,0,0,0,0,0|2,0,0]=2 99 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [0,0,0,0,0,0|2,1,0]=3 100 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [0,0,0,0,0,0|2,1,0]=3 101 B10R1.13 Nc1ccc(cc1)B(O)O PI-31529 [0,0,0,0,0,0|3,0,1]=4 102 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,0,0,0,0,0|2,0,0]=2 103 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [0,0,0,0,0,0|3,0,1]=4 108 B10R1.13 Nc1ccc(nc1)N(C)C PI-36330 [0,0,0,0,0,0|4,0,0]=4 109 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,0,0,0,0,0|2,0,0]=2 110 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [0,0,0,0,0,0|2,0,0]=2 111 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [0,0,0,0,0,0|2,0,0]=2 112 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [0,0,0,0,0,0|2,0,0]=2 113 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [0,0,0,0,0,0|2,0,1]=3 114 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [0,0,0,0,0,0|3,0,0]=3 117 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [0,0,0,0,0,0|3,0,0]=3 119 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [0,0,0,0,0,0|3,0,0]=3 120 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.1 Brc1ccc(cc1)[N+]#N PI-10983 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 C#CC1=CC=C(C=C1)Br PI-30915 [1,0,0,0,0,0|1,0,2]=4 125 B9R1.1 C#Cc1ccc(F)cc1 PI-30917 [1,0,0,0,0,0|1,0,2]=4 126 B9R1.1 C1=CC(=CC=C1C#N)I PI-31146 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.1 C1=CC(=CC=C1C#N)N PI-10997 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [1,0,0,0,0,0|1,0,0]=2 129 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [1,0,0,0,0,0|1,0,0]=2 130 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [1,0,0,0,0,0|1,0,2]=4 136 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [1,0,0,0,0,0|1,1,1]=4 138 B9R1.1 C1=CC(=CC=C1NN)Br PI-14502 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 C1=CC(=CC=C1NN)Br PI-50387 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 C1=CC(=CC=C1NN)Br PI-50485 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 C1=CC(=CC=C1NN)Cl PI-16438 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 C1=CC(=CC=C1NN)Cl PI-50281 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 C1=CC(=CC=C1NN)F PI-31312 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 C1=CC(=CC=C1NN)I PI-29108 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [1,0,0,0,0,0|1,0,1]=3 149 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [1,0,0,0,0,0|1,0,1]=3 150 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [1,0,0,0,0,0|1,0,1]=3 151 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [1,0,0,0,0,0|1,0,1]=3 152 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [1,0,0,0,0,0|0,0,2]=3 153 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [1,0,0,0,0,0|1,0,1]=3 154 B9R1.1 CC1=CN=C(C=C1)C#N PI-38220 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [1,0,0,0,0,0|1,0,0]=2 156 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [1,0,0,0,0,0|1,0,1]=3 157 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [1,0,0,0,0,0|1,0,1]=3 158 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [1,0,0,0,0,0|1,0,1]=3 159 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [1,0,0,0,0,0|1,0,1]=3 160 B9R1.1 CCc1ccc(C)cc1 PI-36542 [1,0,0,0,0,0|0,0,1]=2 161 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.1 CNC1=CN=C(C=C1)Cl PI-45925 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.1 CNc1ccc(cc1)Br PI-21585 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.1 COc1cc[n+]([O-])cc1 PI-26063 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.1 COc1ccc(N)cn1 PI-16695 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.1 COc1ccc(O)cn1 PI-26700 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.1 COc1ccc(cc1)Br PI-34196 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.1 COc1ccc(cc1)I PI-33808 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.1 COc1ccc(cc1)O PI-31355 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.1 COc1ccc(cn1)Br PI-22840 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.1 CSc1ccc(cc1)O PI-18075 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.1 N#Cc1ccc(Br)cc1 PI-11462 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.1 N#Cc1ccc(Cl)cc1 PI-11470 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.1 N#Cc1ccc(cc1)F PI-16865 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.1 NCc1ccc(F)cc1 PI-11985 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.1 NCc1ccc(cc1)Br PI-20544 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.1 NCc1ccc(cc1)Br PI-38542 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.1 NNc1ccc(C)cc1 PI-13126 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [1,0,0,0,0,0|1,0,0]=2 193 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [1,0,0,0,0,0|1,0,0]=2 194 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [1,0,0,0,0,0|1,0,0]=2 195 B9R1.1 O=Cc1cnc(N)nc1 PI-34787 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.1 OCc1ccc(S)cc1 PI-35674 [1,0,0,0,0,0|1,0,2]=4 197 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [1,0,0,0,0,0|1,0,2]=4 198 B9R1.1 OCc1ccc(cc1)I PI-33685 [1,0,0,0,0,0|1,0,2]=4 199 B9R1.1 OCc1ccc(cc1)O PI-29788 [1,0,0,0,0,0|1,0,2]=4 200 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br PI-22497 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [1,0,0,0,0,0|2,1,0]=4 205 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,0,0,0,0,0|1,0,0]=2 207 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [1,0,0,0,0,0|2,1,0]=4 214 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [1,0,0,0,0,0|1,0,0]=2 217 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.6 CC(=O)c1cccnc1 PI-32250 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.6 CC(=O)c1ccncc1 PI-38297 [1,0,0,0,0,0|1,0,0]=2 222 B9R1.6 CC(C)c1ccncc1 PI-16693 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,0,0|1,0,1]=3 224 B9R1.6 CC(c1ccccn1)N PI-38576 [1,0,0,0,0,0|2,0,1]=4 225 B9R1.6 CC(c1ccncc1)N PI-38572 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.6 CN(C)c1ccncc1 PI-16263 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,0,0|0,0,2]=3 229 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [1,0,0,0,0,0|1,0,2]=4 230 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,0,0,0,0,0|1,0,2]=4 232 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,0,0|1,0,1]=3 233 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [1,0,0,0,0,0|1,0,2]=4 234 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,0,0,0,0,0|1,0,2]=4 235 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,0,0|1,0,1]=3 236 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,0,0|0,0,2]=3 237 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,0,0|1,1,0]=3 238 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.6 NC(=N)c1ccccn1 PI-30669 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.6 NC(=O)c1cccnc1 PI-12870 [1,0,0,0,0,0|2,0,0]=3 244 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,0,0,0,0|1,1,0]=3 245 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,0,0,0,0,0|2,0,1]=4 247 B9R1.6 OC(=O)c1cccnc1 PI-15824 [1,0,0,0,0,0|2,0,0]=3 248 B9R1.6 OC(=O)c1ccncn1 PI-32629 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [1,0,0,0,0,0|2,0,0]=3 250 B11R1.3 B(C1=CC=C(C=C1)CBr)(O)O PI-25789 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.3 B(C1=CC=C(C=C1)SC)(O)O PI-23605 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [0,1,0,0,0,0|1,0,1]=3 254 B11R1.3 C#CC1=CC=C(C=C1)[N+](=O)[O-] PI-30982 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.3 C#Cc1ccc(cc1)N(C)C PI-30225 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.3 C1=CC(=CC=C1CN)[N+](=O)[O-] PI-41579 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,1,0,0,0,0|1,0,0]=2 259 B11R1.3 C1=CC(=NC=C1C(=O)O)NN PI-35028 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.3 C1=CC(=NC=C1C=O)C(=O)O PI-43981 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,1,0,0,0,0|0,0,1]=2 263 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,1,0,0,0,0|0,0,1]=2 264 B11R1.3 CC(C)C1=CC=C(C=C1)C#C PI-30350 [0,1,0,0,0,0|1,0,2]=4 265 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [0,1,0,0,0,0|1,0,1]=3 266 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [0,1,0,0,0,0|1,0,1]=3 267 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,1,0,0,0,0|0,0,0]=1 268 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,1,0,0,0,0|0,0,2]=3 269 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,1,0,0,0,0|0,0,0]=1 270 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.3 CCc1ccc(cc1)B(O)O PI-28704 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] PI-26020 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.3 COC1=NC=C(C=C1)C(=S)N PI-26214 [0,1,0,0,0,0|2,1,0]=4 279 B11R1.3 COC1=NC=C(C=C1)[N+](=O)[O-] PI-16710 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.3 COc1ccc(cc1)B(O)O PI-11577 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.3 COc1ccc(cc1)C(=N)N PI-38826 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [0,1,0,0,0,0|1,0,1]=3 285 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.3 COc1ncc(nc1)C(=O)O PI-38849 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] PI-12010 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.3 C[C@@H](C1=CC=C(C=C1)C#N)O PI-49825 [0,1,0,0,0,0|0,0,3]=4 290 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,1,0,0,0,0|0,0,2]=3 291 B11R1.3 C[C@H](C1=CC=C(C=C1)C#N)O PI-49824 [0,1,0,0,0,0|0,0,3]=4 292 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.3 N#Cc1ccc(cc1)C(=O)Cl PI-20292 [0,1,0,0,0,0|1,0,1]=3 294 B11R1.3 N#Cc1ccc(cc1)[N+](=O)[O-] PI-10999 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.3 NC(=O)C1=CC=C(C=C1)C#N PI-30451 [0,1,0,0,0,0|1,0,1]=3 296 B11R1.3 NCC1=CC=C([N+]([O-])=O)C=C1 PI-26234 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.3 NCc1ccc(cc1)B(O)O PI-25826 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.3 NNc1ccc(cc1)C(C)C PI-29077 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.3 NNc1ccc(cc1)C(C)C PI-29812 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.3 NNc1ccc(cc1)[N+](=O)[O-] PI-15513 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.3 NNc1ccc(cc1)[N+](=O)[O-] PI-16510 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.3 O=C(N)C1=CC=C(NN)C=C1 PI-41015 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [0,1,0,0,0,0|1,0,1]=3 307 B11R1.3 O=Cc1ccc(cc1)N(C)C PI-32094 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.3 O=Cc1ccc(cc1)[N+](=O)[O-] PI-12008 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [0,1,0,0,0,0|1,0,1]=3 310 B11R1.3 OCc1ccc(cc1)B(O)O PI-25712 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.3 OCc1ccc(cc1)[N+](=O)[O-] PI-32225 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.3 [C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-] PI-48992 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.19 Brc1ccc(cc1)C(C)(C)C PI-11587 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.19 Brc1ccc(cc1)S(=O)(=O)C PI-22518 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.19 Brc1ccc(cc1)S(=O)(=O)N PI-38845 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)Cl PI-16934 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)O PI-28451 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.19 C1=CC(=CC=C1S(=O)(=O)Cl)I PI-21383 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.19 C1=CC(=CC=C1S(=O)(=O)O)Cl PI-21379 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Cl PI-34169 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.19 CC(C)(C)C1=CC=C(C=C1)I PI-15640 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N PI-22877 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.19 CC(C)(C)c1ccc(S)cc1 PI-23054 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.19 CC(C1=CC=C(Br)C=C1)(F)C PI-46657 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.19 CC(C1=CC=C(C=C1)Br)(F)F PI-42710 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C PI-31987 [0,1,0,0,0,0|1,0,1]=3 327 B11R1.19 CC1=CC=C(C=C1)C(F)(F)F PI-28686 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C PI-25437 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)F PI-24422 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-48935 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-49467 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] PI-18245 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] PI-30710 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.19 CC1=CC=C(S(=O)([O-])=O)C=C1 PI-10885 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N PI-12897 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O PI-37598 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] PI-23777 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.19 Cc1ccc(cn1)S(=O)(=O)Cl PI-39352 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.19 ClS(=O)(=O)c1ccc(Br)cc1 PI-21377 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.19 Fc1ccc(cc1)S(=O)(=O)N PI-10430 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O PI-41319 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.19 O=S(C1=CC=C(F)C=C1)(C)=O PI-29606 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.19 Oc1ccc(cc1)S(=O)(=O)C PI-27192 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.19 Oc1ccc(cc1)S(=O)(=O)Cl PI-39391 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.19 Oc1ccc(cc1)S(=O)(=O)N PI-20732 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.21 B(C1=CC(=C(C=C1)C)C)(O)O PI-25668 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.21 B(C1=CC(=C(C=C1)C)Cl)(O)O PI-25257 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.21 B(C1=CC(=C(C=C1)C)F)(O)O PI-25232 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.21 B(C1=CC(=C(C=C1)C)N)(O)O PI-25361 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,1,0,0,0,0|1,0,0]=2 351 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Cl PI-16724 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.21 C1=C(C=NC(=C1Br)F)C(=O)O PI-36514 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O PI-16262 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1F)C PI-16887 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Br)F PI-14433 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F PI-34234 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)F)F PI-32220 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.21 C1=CC(=C(C=C1C(=O)N)O)O PI-11250 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.21 C1=CC(=C(C=C1C(=S)N)Cl)F PI-17455 [0,1,0,0,0,0|2,1,0]=4 374 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Br)Cl PI-14393 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)F PI-16935 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)I PI-19561 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)Br PI-34345 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)Cl PI-10723 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)I PI-10724 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])I)O PI-29966 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)Br PI-24032 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)Cl PI-32426 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)F PI-16945 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)N PI-30685 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])O)Cl PI-28691 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [0,1,0,0,0,0|1,0,0]=2 387 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [0,1,0,0,0,0|1,0,0]=2 389 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [0,1,0,0,0,0|1,0,0]=2 390 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [0,1,0,0,0,0|1,0,0]=2 391 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [0,1,0,0,0,0|1,0,0]=2 396 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Br PI-21542 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.21 CC(c1ccc(c(c1)N)C)C PI-19295 [0,1,0,0,0,0|1,0,1]=3 399 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F PI-23735 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [0,1,0,0,0,0|0,0,0]=1 401 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [0,1,0,0,0,0|0,0,0]=1 402 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [0,1,0,0,0,0|1,0,0]=2 403 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [0,1,0,0,0,0|1,0,0]=2 404 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [0,1,0,0,0,0|1,0,0]=2 405 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [0,1,0,0,0,0|1,0,0]=2 406 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,1,0,0,0,0|1,0,0]=2 408 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,1,0,0,0,0|1,0,0]=2 409 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,1,0,0,0,0|1,0,0]=2 410 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-34331 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I PI-26904 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O PI-28629 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F PI-23750 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)Br PI-30206 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N PI-35808 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.21 CC1=C(C=CC(=C1)N(C)C)Br PI-46966 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])Br PI-22210 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])F PI-31201 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])I PI-26715 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])O PI-42105 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O PI-11485 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [0,1,0,0,0,0|1,0,0]=2 430 B11R1.21 NC(=N)c1ccc(c(c1)N)N PI-38924 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.21 Nc1ccc(cc1F)[N+]([O-])=O PI-34505 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.21 O=C(N)C1=CC=C(F)C(C)=C1 PI-23732 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.21 O=C(N)C1=CC=C(F)C(Cl)=C1 PI-20058 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.21 O=C(N)C1=CC=C(F)C(F)=C1 PI-30958 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,1,0,0,0,0|1,0,0]=2 437 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,1,0,0,0,0|1,0,0]=2 442 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.21 OC(=O)c1cnc(c(c1)Br)Cl PI-34711 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.21 [O-][N+](=O)c1ccc(Cl)c(C)c1 PI-32802 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.21 [O-][N+](=O)c1ccc(F)c(F)c1 PI-16944 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.21 [O-][N+](=O)c1ccc(O)c(Br)c1 PI-29720 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.21 [O-][N+](=O)c1ccc(O)c(F)c1 PI-28507 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Br)C PI-11805 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Br)F PI-21469 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Cl)N PI-32574 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Cl)O PI-29782 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.21 [O-][N+](=O)c1ccc(c(c1)N)O PI-26997 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.21 [O-][N+](=O)c1ccc(c(c1)O)Br PI-38213 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.21 [O-][N+](=O)c1ccc(c(c1)O)F PI-34727 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.22 BrC1=CC=C(C(CBr)=O)C=N1 PI-41793 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,1,0,0,0,0|1,0,0]=2 467 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,1,0,0,0,0|1,0,0]=2 468 B11R1.22 C1=CC(=CC=C1C(=NO)N)Br PI-14454 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.22 C1=CC(=CC=C1C(=NO)N)Cl PI-30654 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [0,1,0,0,0,0|1,0,1]=3 472 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,1,0,0,0,0|1,0,1]=3 473 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,1,0,0,0,0|1,0,1]=3 474 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,1,0,0,0,0|1,0,0]=2 476 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,1,0,0,0,0|1,0,0]=2 481 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,1,0,0,0,0|1,0,0]=2 482 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,1,0,0,0,0|1,0,0]=2 483 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,1,0,0,0,0|1,0,0]=2 484 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,1,0,0,0,0|1,0,2]=4 490 B11R1.22 C1=CC(=NC=C1C(=O)NN)Cl PI-50259 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.22 C1=CC(=NC=C1C(=O)NN)N PI-36889 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [0,1,0,0,0,0|1,0,1]=3 494 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,1,0,0,0,0|0,0,0]=1 495 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,1,0,0,0,0|0,0,0]=1 496 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,1,0,0,0,0|0,0,0]=1 498 B11R1.22 CC1=CN=C(C=N1)C(=O)NN PI-50303 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,1,0,0,0,0|1,0,0]=2 500 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,1,0,0,0,0|1,0,0]=2 501 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [0,1,0,0,0,0|1,0,0]=2 503 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,1,0,0,0,0|1,0,0]=2 504 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,1,0,0,0,0|1,0,0]=2 505 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,1,0,0,0,0|1,0,0]=2 506 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl PI-40861 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,1,0,0,0,0|1,0,0]=2 511 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,1,0,0,0,0|2,0,0]=3 512 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [0,1,0,0,0,0|1,0,0]=2 514 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.22 NNC(=O)c1ccc(C)nc1 PI-24807 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [0,1,0,0,0,0|1,0,1]=3 519 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,1,0,0,0,0|1,0,0]=2 520 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.166 B(C1=C(C=C(C=C1)C)C)(O)O PI-25669 [0,1,0,0,0,0|2,0,1]=4 522 B11R1.166 B(C1=C(C=C(C=C1)C)Cl)(O)O PI-19135 [0,1,0,0,0,0|2,0,1]=4 523 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,1,0,0,0,0|1,0,0]=2 524 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.166 Brc1ccc([N+](=O)[O-])c(F)c1 PI-10417 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.166 Brc1ccc(c(c1)N)[N+](=O)[O-] PI-39432 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N PI-30371 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)Cl PI-11845 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N PI-35500 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] PI-11297 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.166 C1=CC(=C(C=C1Cl)O)[N+](=O)[O-] PI-37794 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl PI-20069 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)N PI-20057 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl PI-14894 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N PI-31316 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] PI-16979 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.166 C1=CC(=C(C=C1N)Cl)[N+](=O)[O-] PI-26933 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.166 C1=CC(=C(C=C1O)Cl)[N+](=O)[O-] PI-35943 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 PI-11037 [0,1,0,0,0,0|2,0,0]=3 551 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,1,0,0,0,0|1,0,0]=2 552 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,1,0,0,0,0|1,0,0]=2 553 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,1,0,0,0,0|1,0,0]=2 554 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,1,0,0,0,0|1,0,0]=2 555 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,1,0,0,0,0|1,0,0]=2 556 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,1,0,0,0,0|1,0,0]=2 557 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,1,0,0,0,0|1,0,0]=2 558 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,1,0,0,0,0|1,0,0]=2 559 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,1,0,0,0,0|1,0,0]=2 560 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,1,0,0,0,0|1,0,0]=2 561 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,1,0,0,0,0|1,0,0]=2 562 B11R1.166 CC(=O)C1=CNC(=O)NC1=O PI-12020 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,1,0,0,0,0|1,0,0]=2 564 B11R1.166 CC(N)C1=CC=C(Cl)C=C1Cl PI-41295 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)Cl PI-39384 [0,1,0,0,0,0|2,0,0]=3 566 B11R1.166 CC1=C(C=CC(=C1)Cl)[N+](=O)[O-] PI-26718 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,1,0,0,0,0|2,0,0]=3 568 B11R1.166 CC1=C(C=CC(=C1)N)[N+](=O)[O-] PI-26795 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,1,0,0,0,0|1,0,0]=2 570 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-12007 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,1,0,0,0,0|0,0,0]=1 572 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,1,0,0,0,0|1,0,0]=2 574 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,1,0,0,0,0|1,0,0]=2 575 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,1,0,0,0,0|1,0,0]=2 576 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Cl PI-16550 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F PI-10269 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])I PI-19675 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N PI-26762 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])O PI-28770 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 PI-44124 [0,1,0,0,0,0|1,0,2]=4 582 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O PI-13132 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O PI-18513 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.166 CC1=CC=C(C(=O)N1)[N+](=O)[O-] PI-16708 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.166 CC1=NC(=C(C=C1)[N+](=O)[O-])Br PI-10392 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.166 CC1=NC(=C(C=C1)[N+](=O)[O-])Cl PI-34455 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.166 CC1=NC(=C(C=C1)[N+](=O)[O-])N PI-16705 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.166 CC1=NC(=NC=C1C(=O)C)N PI-14033 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.166 Cc1ccc(c(c1)F)B(O)O PI-25239 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,1,0,0,0,0|1,0,0]=2 593 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,1,0,0,0,0|0,0,0]=1 595 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)Cl PI-31177 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.166 Clc1ccc(C(=S)N)c(Cl)c1 PI-30416 [0,1,0,0,0,0|2,1,0]=4 599 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.166 Clc1ccc(c(c1)F)[N+](=O)[O-] PI-28769 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.166 Fc1ccc([N+](=O)[O-])c(Br)c1 PI-34343 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.166 Fc1ccc(c(c1)C)[N+](=O)[O-] PI-16978 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.166 Fc1ccc(c(c1)Cl)[N+](=O)[O-] PI-10433 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.166 Fc1ccc(c(c1)F)[N+](=O)[O-] PI-15216 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.166 Fc1cnc(c(c1)F)C(=O)O PI-38255 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,1,0,0,0,0|1,0,0]=2 612 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,1,0,0,0,0|2,0,0]=3 613 B11R1.166 Nc1ccc(c(c1)F)[N+](=O)[O-] PI-29376 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.166 Nc1ccc(c(c1)N)[N+](=O)[O-] PI-11302 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl PI-38189 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,1,0,0,0,0|1,0,0]=2 620 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.166 Oc1ccc(c(c1)F)[N+](=O)[O-] PI-16955 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.166 [O-][N+](=O)c1ccc(nc1F)C PI-16768 [0,1,0,0,0,0|3,0,0]=4 624 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [0,0,0,1,0,0|2,0,1]=4 625 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [0,0,0,1,0,0|1,0,2]=4 626 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [0,0,0,0,1,0|3,0,0]=4 627 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,0,0,0,1,0|3,0,0]=4 628 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,0,0,0,1,0|3,0,0]=4 629 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,0,0,0,1,0|3,0,0]=4 630 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [0,0,0,0,1,0|3,0,0]=4 631 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [0,0,0,0,1,0|3,0,0]=4 632 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,0,0,0,1,0|3,0,0]=4 633 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,0,0,0,1,0|3,0,0]=4 634 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [0,0,0,0,1,0|3,0,0]=4 635 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [0,0,0,0,1,0|3,0,0]=4 636 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,0,0,0,1,0|2,0,0]=3 637 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [0,0,0,0,1,0|2,0,0]=3 638 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [0,0,0,0,1,0|2,0,0]=3 639 B9R1.35 CC(=O)C1=NC=C(S1)Br PI-43922 [0,0,0,0,1,0|3,0,0]=4 640 B9R1.35 CC(=O)N1C=C(C=N1)I PI-31343 [0,0,0,0,1,0|3,0,0]=4 641 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [0,0,0,0,1,0|2,0,0]=3 642 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,0,0,0,1,0|2,0,0]=3 643 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [0,0,0,0,1,0|3,0,0]=4 644 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,0,0,0,1,0|2,0,0]=3 645 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,0,0,0,1,0|2,0,0]=3 646 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,0,0,0,1,0|1,0,0]=2 647 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,0,0,0,1,0|2,0,0]=3 648 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,0,0,0,1,0|2,0,0]=3 649 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,0,0,0,1,0|3,0,0]=4 650 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,0,0,0,1,0|3,0,0]=4 651 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [0,0,0,0,1,0|3,0,0]=4 652 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,0,0,0,1,0|3,0,0]=4 653 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,0,0,0,1,0|3,0,0]=4 654 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [0,0,0,0,1,0|3,0,0]=4 655 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,0,0,0,1,0|3,0,0]=4 656 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [0,0,0,0,1,0|2,0,0]=3 657 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,0,0,0,1,0|3,0,0]=4 658 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,0,0,0,0,1|2,0,0]=3 659 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,0,0,0,0,1|2,0,0]=3 660 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,0,0,0,0,1|2,0,0]=3 661 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,0,0,0,0,1|2,0,0]=3 662 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,0,0,0,0,1|2,0,0]=3 663 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,0,0,0,0,1|1,0,0]=2 664 B11R1.20 C1=CC(=CC=C1N)N=C(N)N PI-47263 [0,0,0,0,0,1|3,0,0]=4 665 B11R1.20 C1=CC(=CC=C1N=C(N)N)I PI-47260 [0,0,0,0,0,1|3,0,0]=4 666 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,0,0,0,0,1|2,0,0]=3 667 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,0,0,0,0,1|3,0,0]=4 668 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,0,0,0,0,1|1,0,0]=2 669 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,0,0,0,0,1|1,0,0]=2 670 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,0,0,0,0,1|1,0,0]=2 671 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,0,0,0,0,1|1,0,0]=2 672 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,0,0,0,0,1|1,0,0]=2 673 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [0,0,0,0,0,1|2,0,0]=3 674 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,0,0,0,0,1|1,0,0]=2 675 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,0,0,0,0,1|1,0,0]=2 676 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,0,0,0,0,1|1,0,0]=2 677 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,0,0,0,0,1|1,0,0]=2 678 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,0,0,0,0,1|2,0,1]=4 679 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [0,0,0,0,0,1|2,0,1]=4 680 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,0,0,0,0,1|2,0,1]=4 681 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,0,0,0,0,1|1,0,0]=2 682 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,0,0,0,0,1|1,0,0]=2 683 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,0,0,0,0,1|1,0,0]=2 684 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [0,0,0,0,0,1|1,1,0]=3 685 B11R1.20 CC1=CC=C(C=C1)OC(F)F PI-21199 [0,0,0,0,0,1|2,0,1]=4 686 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,0,0,0,0,1|2,0,0]=3 687 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,0,0,0,0,1|2,0,0]=3 688 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,0,0,0,0,1|1,0,0]=2 689 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [0,0,0,0,0,1|1,1,0]=3 690 B11R1.20 NC(=S)Nc1ccc(cc1)Br PI-22567 [0,0,0,0,0,1|2,1,0]=4 691 B11R1.20 NC(=S)Nc1ccc(cc1)Cl PI-30541 [0,0,0,0,0,1|2,1,0]=4 692 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [0,0,0,0,0,1|2,1,0]=4 693 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,0,0,0,0,1|2,0,0]=3 694 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,0,0,0,0,1|2,0,0]=3 695 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,0,0,0,0,1|2,0,0]=3 696 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,0,0,0,0,1|2,0,0]=3 697 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [1,0,1,0,0,0|0,0,1]=3 698 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,1]=4 699 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 700 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [2,0,0,0,0,0|2,0,0]=4 701 B8R1.2 C1=CN=CN=C1C=O PI-34868 [2,0,0,0,0,0|2,0,0]=4 702 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,1]=4 703 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,1]=4 704 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,1]=4 705 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 706 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 707 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 708 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|2,0,0]=4 709 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|2,0,0]=4 710 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|2,0,0]=4 711 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|2,0,0]=4 712 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|1,0,1]=4 713 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 714 B8R1.2 O=Cc1ccccn1 PI-33895 [2,0,0,0,0,0|1,0,0]=3 715 B8R1.2 O=Cc1cccnc1 PI-33908 [2,0,0,0,0,0|1,0,0]=3 716 B8R1.2 O=Cc1ccncc1 PI-13140 [2,0,0,0,0,0|1,0,0]=3 717 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|1,0,1]=4 718 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 719 B8R1.3 Brc1ccc(C)cn1 PI-10149 [2,0,0,0,0,0|2,0,0]=4 720 B8R1.3 Brc1ccc(I)cc1 PI-21525 [2,0,0,0,0,0|2,0,0]=4 721 B8R1.3 C1=CC(=CC=C1Cl)Br PI-48678 [2,0,0,0,0,0|2,0,0]=4 722 B8R1.3 C1=CC(=CC=C1Cl)I PI-20137 [2,0,0,0,0,0|2,0,0]=4 723 B8R1.3 C1=CC(=CC=C1F)S PI-17595 [2,0,0,0,0,0|1,1,0]=4 724 B8R1.3 C1=CC(=CC=C1F)[S-] PI-28110 [2,0,0,0,0,0|1,1,0]=4 725 B8R1.3 C1=CC(=CC=C1N)S PI-14246 [2,0,0,0,0,0|1,1,0]=4 726 B8R1.3 C1=CC(=CC=C1S)Br PI-21352 [2,0,0,0,0,0|1,1,0]=4 727 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [2,0,0,0,0,0|2,0,0]=4 728 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [2,0,0,0,0,0|2,0,0]=4 729 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [2,0,0,0,0,0|1,0,0]=3 730 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [2,0,0,0,0,0|2,0,0]=4 731 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [2,0,0,0,0,0|1,0,1]=4 732 B8R1.3 CC1=NNC(=O)C=C1 PI-44765 [2,0,0,0,0,0|2,0,0]=4 733 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [2,0,0,0,0,0|2,0,0]=4 734 B8R1.3 Cc1ccc(F)cc1 PI-34120 [2,0,0,0,0,0|1,0,0]=3 735 B8R1.3 Cc1ccc(I)cc1 PI-13709 [2,0,0,0,0,0|1,0,0]=3 736 B8R1.3 Cc1ccc(cn1)Br PI-23479 [2,0,0,0,0,0|2,0,0]=4 737 B8R1.3 Cc1ccc(cn1)N PI-13104 [2,0,0,0,0,0|2,0,0]=4 738 B8R1.3 Clc1ccc(cn1)C PI-16696 [2,0,0,0,0,0|2,0,0]=4 739 B8R1.3 FC1=CC=C(Br)C=C1 PI-33066 [2,0,0,0,0,0|2,0,0]=4 740 B8R1.3 Fc1ccc(I)cc1 PI-15769 [2,0,0,0,0,0|2,0,0]=4 741 B8R1.3 Fc1ccc(cc1)F PI-11683 [2,0,0,0,0,0|2,0,0]=4 742 B8R1.3 Ic1ccc(cc1)I PI-10976 [2,0,0,0,0,0|2,0,0]=4 743 B8R1.3 Nc1ccc(O)cc1 PI-34110 [2,0,0,0,0,0|1,0,1]=4 744 B8R1.3 Nc1ccc(cc1)F PI-33065 [2,0,0,0,0,0|2,0,0]=4 745 B8R1.3 Nc1ccc(cc1)I PI-25653 [2,0,0,0,0,0|2,0,0]=4 746 B8R1.3 Nc1ccc(cn1)C PI-25208 [2,0,0,0,0,0|2,0,0]=4 747 B8R1.3 Oc1ccc(Br)cc1 PI-22230 [2,0,0,0,0,0|1,0,1]=4 748 B8R1.3 Oc1ccc(I)cc1 PI-10956 [2,0,0,0,0,0|1,0,1]=4 749 B8R1.3 Oc1ccc(cc1)F PI-27532 [2,0,0,0,0,0|1,0,1]=4 750 B8R1.3 Oc1ccc(cc1)S PI-21361 [2,0,0,0,0,0|1,0,1]=4 751 B8R1.3 Oc1ccc(cn1)C PI-37410 [2,0,0,0,0,0|1,0,1]=4 752 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [2,0,0,0,0,0|1,0,1]=4 753 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|1,0,1]=4 754 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|0,0,1]=3 755 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,1]=4 758 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [1,1,0,0,0,0|1,0,1]=4 759 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [1,1,0,0,0,0|1,0,1]=4 760 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|1,0,1]=4 761 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|1,0,1]=4 763 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|1,0,1]=4 764 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|1,0,1]=4 765 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|1,0,1]=4 766 B10R1.1 C1=CC(=CC=C1N=C=O)F PI-19081 [1,1,0,0,0,0|1,0,1]=4 767 B10R1.1 CC1=CC=C(C=C1)N=C=S PI-48734 [1,1,0,0,0,0|0,1,1]=4 768 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|1,0,1]=4 770 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|1,0,1]=4 771 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [1,1,0,0,0,0|1,0,1]=4 774 B10R1.1 CCOc1ccc(cc1)O PI-27806 [1,1,0,0,0,0|1,0,1]=4 775 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|1,0,1]=4 776 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [1,1,0,0,0,0|1,0,1]=4 777 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,1,0,0,0,0|0,0,2]=4 778 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|1,0,1]=4 779 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|1,0,1]=4 780 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|1,0,1]=4 781 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|1,0,1]=4 782 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|1,0,1]=4 783 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [1,1,0,0,0,0|0,0,1]=3 784 B10R1.1 O=C=Nc1ccc(cc1)Cl PI-11417 [1,1,0,0,0,0|1,0,1]=4 785 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|1,0,1]=4 786 B10R1.3 BrCc1ccc(cc1)CBr PI-32199 [1,1,0,0,0,0|1,0,1]=4 787 B10R1.3 C#CC1=CN=C(C=C1)C=O PI-48186 [1,1,0,0,0,0|1,0,1]=4 788 B10R1.3 C1=CC(=CC=C1C=O)C#N PI-31014 [1,1,0,0,0,0|0,0,1]=3 789 B10R1.3 C1=CC(=CC=C1CBr)C#N PI-31089 [1,1,0,0,0,0|1,0,1]=4 790 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [1,1,0,0,0,0|0,0,0]=2 791 B10R1.3 C1=CC(=CC=C1CCl)C#N PI-31324 [1,1,0,0,0,0|1,0,1]=4 792 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [1,1,0,0,0,0|0,0,0]=2 793 B10R1.3 C1=CC(=CC=C1CN)CN PI-19696 [1,1,0,0,0,0|1,0,1]=4 794 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [1,1,0,0,0,0|0,0,0]=2 795 B10R1.3 C1=CC(=CC=C1CS)CS PI-17107 [1,1,0,0,0,0|0,1,1]=4 796 B10R1.3 CCC1=CC=C(C=C1)C#C PI-30582 [1,1,0,0,0,0|0,0,2]=4 797 B10R1.3 CCC1=CC=C(C=C1)NN PI-50515 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [1,1,0,0,0,0|0,0,0]=2 799 B10R1.3 CNC1=CC=C(C=C1)C#N PI-35883 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [1,1,0,0,0,0|0,0,1]=3 803 B10R1.3 COC1=NC=C(C=C1)C=O PI-10317 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.3 COc1ccc(cc1)C#C PI-30919 [1,1,0,0,0,0|0,0,2]=4 805 B10R1.3 COc1ccc(cc1)C=C PI-34180 [1,1,0,0,0,0|0,0,1]=3 806 B10R1.3 COc1ccc(cc1)SC PI-12000 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.3 COc1ccc(nc1)C=O PI-39039 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.3 CSC1=CC=C(C=C1)NN PI-29509 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [1,1,0,0,0,0|0,0,0]=2 811 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [1,1,0,0,0,0|1,0,0]=3 813 B10R1.3 NCc1ccc(cc1)C#N PI-24033 [1,1,0,0,0,0|1,0,1]=4 814 B10R1.3 NNc1ccc(cc1)OC PI-25299 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.3 O=Cc1ccc(C#C)cc1 PI-26824 [1,1,0,0,0,0|0,0,1]=3 816 B10R1.3 O=Cc1ccc(cc1)C=O PI-38472 [1,1,0,0,0,0|0,0,1]=3 817 B10R1.3 OCc1ccc(CBr)cc1 PI-22138 [1,1,0,0,0,0|0,0,2]=4 818 B10R1.3 OCc1ccc(cc1)CO PI-30750 [1,1,0,0,0,0|0,0,2]=4 819 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O PI-38898 [1,1,0,0,0,0|1,0,0]=3 820 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O PI-28681 [1,1,0,0,0,0|1,0,0]=3 821 B10R1.25 C1=CC(=C(C=C1F)Br)C=O PI-10440 [1,1,0,0,0,0|1,0,0]=3 822 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O PI-28857 [1,1,0,0,0,0|1,0,0]=3 823 B10R1.25 C1=CC(=C(C=C1F)N)C=O PI-44252 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.25 C1=CC(=C(C=C1I)Br)C=O PI-26357 [1,1,0,0,0,0|1,0,0]=3 826 B10R1.25 C1=CC(=C(C=C1I)F)C=O PI-28942 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.25 C1=CC(=C(C=C1N)N)C=O PI-44093 [1,1,0,0,0,0|1,0,0]=3 828 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [1,1,0,0,0,0|1,0,0]=3 831 B10R1.25 CC1=CC(=C(C=C1)C#N)C PI-23422 [1,1,0,0,0,0|1,0,1]=4 832 B10R1.25 CC1=CC(=C(C=C1)C#N)N PI-30405 [1,1,0,0,0,0|1,0,1]=4 833 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [1,1,0,0,0,0|0,0,0]=2 834 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [1,1,0,0,0,0|0,0,0]=2 835 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [1,1,0,0,0,0|0,0,2]=4 837 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.25 CC1=CC(=C(C=C1)NN)Cl PI-20171 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [1,1,0,0,0,0|1,0,0]=3 840 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [1,1,0,0,0,0|1,0,0]=3 841 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.25 CC1=CC(=C(C=C1)[N+]#[C-])Br PI-22160 [1,1,0,0,0,0|1,0,1]=4 843 B10R1.25 CC1=CC(=CN=C1C=O)Br PI-41887 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [1,1,0,0,0,0|1,0,0]=3 846 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [1,1,0,0,0,0|2,0,0]=4 856 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.25 COc1ccc(F)cc1S PI-23728 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.25 COc1ccc(S)cc1F PI-23727 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.25 COc1ccc(cc1Br)F PI-28540 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [1,1,0,0,0,0|2,0,0]=4 862 B10R1.25 COc1ccc(cc1F)Br PI-16907 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.25 COc1ccc(cc1F)N PI-28446 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.25 COc1ccc(cc1F)O PI-34292 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.25 CSc1ccc(cc1C)O PI-18452 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.25 ClC1=NC(=CC=C1C=O)Cl PI-41418 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.25 FC1=C(C=O)C=CC(=C1)O PI-28419 [1,1,0,0,0,0|1,0,0]=3 869 B10R1.25 N#Cc1ccc(cc1F)C PI-28867 [1,1,0,0,0,0|1,0,1]=4 870 B10R1.25 NC1=C(C=O)C=CC(=C1)Br PI-41093 [1,1,0,0,0,0|1,0,0]=3 871 B10R1.25 NCc1ccc(cc1C)C PI-27988 [1,1,0,0,0,0|1,0,1]=4 872 B10R1.25 O=CC1=CC=C(F)C=C1F PI-16892 [1,1,0,0,0,0|1,0,0]=3 873 B10R1.25 O=Cc1ccc(Br)cc1F PI-31236 [1,1,0,0,0,0|1,0,0]=3 874 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,1,0,0,0,0|0,0,0]=2 875 B10R1.25 O=Cc1ccc(O)cc1Cl PI-10303 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,1,0,0,0,0|1,0,0]=3 877 B10R1.25 O=Cc1ccc(cc1Br)Cl PI-36966 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [1,1,0,0,0,0|0,0,0]=2 879 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [1,1,0,0,0,0|1,0,0]=3 880 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [1,1,0,0,0,0|1,0,0]=3 881 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [1,1,0,0,0,0|1,0,0]=3 882 B10R1.25 OCc1ccc(cc1C)C PI-38556 [1,1,0,0,0,0|0,0,2]=4 883 B10R1.176 BrCc1ccc(C)c(F)c1 PI-23753 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br PI-27885 [1,1,0,0,0,0|1,0,0]=3 885 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl PI-35233 [1,1,0,0,0,0|1,0,0]=3 886 B10R1.176 C1=CC(=C(C=C1C=O)Br)O PI-18445 [1,1,0,0,0,0|1,0,0]=3 887 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F PI-28406 [1,1,0,0,0,0|1,0,0]=3 888 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O PI-20127 [1,1,0,0,0,0|1,0,0]=3 889 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [1,1,0,0,0,0|1,0,0]=3 890 B10R1.176 C1=CC(=C(C=C1C=O)I)F PI-26322 [1,1,0,0,0,0|1,0,0]=3 891 B10R1.176 C1=CC(=C(C=C1C=O)O)I PI-27146 [1,1,0,0,0,0|1,0,0]=3 892 B10R1.176 CC1=C(C=C(C=C1)C#N)Cl PI-20153 [1,1,0,0,0,0|1,0,1]=4 893 B10R1.176 CC1=C(C=C(C=C1)C#N)F PI-31087 [1,1,0,0,0,0|1,0,1]=4 894 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [1,1,0,0,0,0|0,0,0]=2 895 B10R1.176 CC1=C(C=C(C=C1)C=O)F PI-28215 [1,1,0,0,0,0|0,0,0]=2 896 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [1,1,0,0,0,0|1,0,1]=4 898 B10R1.176 CC1=C(C=C(C=C1)CN)Cl PI-20155 [1,1,0,0,0,0|1,0,1]=4 899 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.176 CC1=C(C=C(C=C1)NN)Cl PI-20172 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [1,1,0,0,0,0|1,0,0]=3 902 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [1,1,0,0,0,0|1,0,0]=3 903 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [1,1,0,0,0,0|1,0,0]=3 905 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [1,1,0,0,0,0|1,0,1]=4 910 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [1,1,0,0,0,0|2,0,0]=4 912 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [1,1,0,0,0,0|2,0,0]=4 914 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [1,1,0,0,0,0|2,0,0]=4 922 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [1,1,0,0,0,0|2,0,0]=4 924 B10R1.176 CSC1=CC(=C(C=C1)Cl)Cl PI-11888 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.176 Fc1ccc(C=O)cc1Br PI-10431 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.176 N#Cc1ccc(c(c1)Br)C PI-34358 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.176 N#Cc1ccc(c(c1)C)C PI-29364 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [1,1,0,0,0,0|2,0,0]=4 929 B10R1.176 O=CC1=CC=C(O)C(I)=C1 PI-27762 [1,1,0,0,0,0|1,0,0]=3 930 B10R1.176 O=Cc1ccc(Cl)c(F)c1 PI-10524 [1,1,0,0,0,0|1,0,0]=3 931 B10R1.176 O=Cc1ccc(F)c(F)c1 PI-10106 [1,1,0,0,0,0|1,0,0]=3 932 B10R1.176 O=Cc1ccc(I)c(F)c1 PI-28941 [1,1,0,0,0,0|1,0,0]=3 933 B10R1.176 O=Cc1ccc(I)c(I)c1 PI-26672 [1,1,0,0,0,0|1,0,0]=3 934 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [1,1,0,0,0,0|1,0,0]=3 935 B10R1.176 O=Cc1ccc(c(c1)Cl)Cl PI-18774 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.176 O=Cc1ccc(c(c1)F)Br PI-10449 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [1,1,0,0,0,0|0,0,0]=2 938 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [1,1,0,0,0,0|1,0,0]=3 941 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [1,1,0,0,0,0|0,0,1]=3 942 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [1,1,0,0,0,0|0,0,1]=3 943 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,1,0,0,0,0|1,0,0]=3 944 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|0,0,2]=4 945 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|0,0,2]=4 946 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|0,0,2]=4 947 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|0,0,2]=4 948 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [1,1,0,0,0,0|2,0,0]=4 949 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,1,0,0,0,0|0,0,1]=3 950 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [1,1,0,0,0,0|1,0,0]=3 953 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,1,0,0,0,0|1,0,1]=4 954 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|0,0,2]=4 955 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|0,0,2]=4 958 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|0,0,2]=4 960 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,1,0,0,0,0|0,0,0]=2 961 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [1,1,0,0,0,0|2,0,0]=4 963 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [1,1,0,0,0,0|1,0,0]=3 964 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [1,1,0,0,0,0|2,0,0]=4 965 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.15 COC(=O)c1ccccn1 PI-33273 [1,1,0,0,0,0|1,0,0]=3 967 B10R1.15 COC(=O)c1ccncn1 PI-36498 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|0,0,0]=2 970 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|0,0,2]=4 971 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|0,0,2]=4 972 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|0,0,2]=4 974 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|0,0,0]=2 975 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|1,0,1]=4 977 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|0,0,2]=4 978 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [1,1,0,0,0,0|2,0,0]=4 981 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [1,1,0,0,0,0|0,0,2]=4 982 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [1,1,0,0,0,0|1,0,0]=3 984 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [1,1,0,0,0,0|1,0,0]=3 985 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [1,1,0,0,0,0|2,0,0]=4 986 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [1,1,0,0,0,0|1,1,0]=4 988 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [1,1,0,0,0,0|1,1,0]=4 989 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [1,1,0,0,0,0|2,0,0]=4 990 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [1,1,0,0,0,0|2,0,0]=4 991 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [1,1,0,0,0,0|2,0,0]=4 992 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [1,1,0,0,0,0|1,0,0]=3 994 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [1,1,0,0,0,0|1,0,0]=3 996 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [1,1,0,0,0,0|1,0,0]=3 997 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [1,1,0,0,0,0|1,0,0]=3 998 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [1,1,0,0,0,0|1,0,0]=3 999 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [1,1,0,0,0,0|1,1,0]=4 1000 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [1,1,0,0,0,0|1,0,0]=3 1006 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [1,1,0,0,0,0|0,0,0]=2 1007 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [1,1,0,0,0,0|0,0,0]=2 1008 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [1,1,0,0,0,0|0,0,0]=2 1009 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,1,0,0,0,0|0,0,0]=2 1010 B10R1.61 CC(=O)c1ccccc1I PI-29345 [1,1,0,0,0,0|0,0,0]=2 1011 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,1,0,0,0,0|0,0,0]=2 1012 B10R1.61 CC(C)c1ccccc1S PI-17353 [1,1,0,0,0,0|1,0,1]=4 1013 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [1,1,0,0,0,0|0,0,2]=4 1014 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [1,1,0,0,0,0|0,0,2]=4 1015 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,1,0,0,0,0|0,0,2]=4 1016 B10R1.61 CC(c1ccccc1Br)C PI-21543 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [1,1,0,0,0,0|2,0,0]=4 1018 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [1,1,0,0,0,0|2,0,0]=4 1019 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [1,1,0,0,0,0|0,0,0]=2 1020 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [1,1,0,0,0,0|1,0,0]=3 1021 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [1,1,0,0,0,0|0,0,2]=4 1023 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [1,1,0,0,0,0|0,0,2]=4 1024 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [1,1,0,0,0,0|0,0,2]=4 1025 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [1,1,0,0,0,0|0,0,2]=4 1026 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [1,1,0,0,0,0|1,1,0]=4 1028 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [1,1,0,0,0,0|1,1,0]=4 1029 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.61 OC(=O)c1ccccc1F PI-16976 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.61 OC(=O)c1cccnc1F PI-16387 [1,1,0,0,0,0|2,0,0]=4 1033 B10R1.61 OC(=O)c1cccnc1N PI-31221 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.61 OC(=O)c1cccnc1O PI-16700 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.61 OC(=O)c1ccncc1I PI-38273 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.61 OC(=O)c1ccncc1N PI-10177 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.61 OC(=O)c1ccncc1O PI-28020 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.61 OC(=O)c1cnccc1N PI-10029 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.61 OC(=O)c1ncccc1F PI-34434 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.61 OC(=O)c1ncccc1N PI-14129 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.61 OC(=O)c1ncccc1O PI-16553 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [1,1,0,0,0,0|1,0,0]=3 1052 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [1,1,0,0,0,0|1,0,1]=4 1053 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [1,1,0,0,0,0|1,0,1]=4 1054 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [1,1,0,0,0,0|1,1,0]=4 1062 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [1,1,0,0,0,0|1,0,0]=3 1063 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [1,1,0,0,0,0|1,1,0]=4 1066 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [1,1,0,0,0,0|1,0,0]=3 1067 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [1,1,0,0,0,0|1,0,0]=3 1068 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [1,1,0,0,0,0|0,0,0]=2 1079 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [1,1,0,0,0,0|1,0,0]=3 1080 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [1,1,0,0,0,0|0,0,2]=4 1081 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [1,1,0,0,0,0|0,0,2]=4 1082 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [1,1,0,0,0,0|1,0,1]=4 1084 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [1,1,0,0,0,0|0,0,2]=4 1085 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [1,1,0,0,0,0|0,0,0]=2 1087 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [1,1,0,0,0,0|2,0,0]=4 1088 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [1,1,0,0,0,0|0,0,2]=4 1089 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [1,1,0,0,0,0|1,0,0]=3 1092 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [1,1,0,0,0,0|0,0,2]=4 1093 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [1,1,0,0,0,0|0,0,2]=4 1094 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [1,1,0,0,0,0|2,0,0]=4 1098 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [1,1,0,0,0,0|1,0,0]=3 1102 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [1,1,0,0,0,0|0,0,0]=2 1103 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [1,1,0,0,0,0|1,0,0]=3 1107 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [1,1,0,0,0,0|1,1,0]=4 1110 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [1,1,0,0,0,0|0,0,0]=2 1111 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [1,1,0,0,0,0|1,0,0]=3 1112 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [1,1,0,0,0,0|2,0,0]=4 1113 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [1,1,0,0,0,0|0,0,0]=2 1117 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [1,1,0,0,0,0|1,0,0]=3 1118 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [1,1,0,0,0,0|1,0,0]=3 1119 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [1,1,0,0,0,0|1,1,0]=4 1122 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.14 C1=C(SC(=C1)Br)C(=O)CBr PI-20587 [0,1,0,0,1,0|2,0,0]=4 1124 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [0,1,0,0,1,0|1,0,0]=3 1125 B10R1.14 CC1=NC(=CO1)C(=O)OC PI-48165 [0,1,0,0,1,0|2,0,0]=4 1126 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [0,1,0,0,1,0|1,0,0]=3 1127 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [0,1,0,0,1,0|2,0,0]=4 1128 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [0,1,0,0,1,0|2,0,0]=4 1129 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [0,1,0,0,1,0|2,0,0]=4 1130 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [0,1,0,0,1,0|2,0,0]=4 1131 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [0,1,0,0,1,0|2,0,0]=4 1132 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [0,1,0,0,1,0|1,0,0]=3 1133 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [0,1,0,0,1,0|1,0,0]=3 1134 B10R1.14 ClCC(=O)c1ccc(Br)s1 PI-22620 [0,1,0,0,1,0|2,0,0]=4 1135 B10R1.14 Clc1ccc(s1)C(=O)CBr PI-20667 [0,1,0,0,1,0|2,0,0]=4 1136 B10R1.14 O=C(C1=CSC(Br)=C1)OC PI-46727 [0,1,0,0,1,0|2,0,0]=4 1137 B10R1.14 O=C(C1=CSC(C)=N1)OC PI-40824 [0,1,0,0,1,0|2,0,0]=4 1138 B10R1.31 CC(=O)C1=CC=C(S1)C#N PI-26965 [0,1,0,0,1,0|1,0,1]=4 1139 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [0,1,0,0,1,0|2,0,0]=4 1140 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [0,1,0,0,1,0|2,0,0]=4 1141 B10R1.31 OCc1ccc(o1)C(=O)O PI-19793 [0,1,0,0,1,0|2,0,0]=4 1142 B10R1.58 CC1=C(SC(=C1)C(=O)O)C PI-29578 [0,1,0,0,1,0|2,0,0]=4 1143 B10R1.58 OC(=O)c1cc(c(s1)Br)C PI-39423 [0,1,0,0,1,0|2,0,0]=4 1144 B10R1.58 OC(=O)c1oc(C)c(C)c1 PI-17532 [0,1,0,0,1,0|2,0,0]=4 1145 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [0,1,0,0,1,0|2,0,0]=4 1146 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PI-29708 [0,1,0,0,1,0|2,0,0]=4 1147 B10R1.59 CC1=CC(=C(O1)C)C(=O)C PI-26051 [0,1,0,0,1,0|1,0,0]=3 1148 B10R1.59 CC1=CC(=C(O1)C)C(=O)Cl PI-23851 [0,1,0,0,1,0|2,0,0]=4 1149 B10R1.59 Cc1nc(c(s1)C(=O)C)C PI-11114 [0,1,0,0,1,0|2,0,0]=4 1150 B10R1.59 Cc1sc(c(c1)C(=O)O)C PI-29415 [0,1,0,0,1,0|2,0,0]=4 1151 B10R1.59 Clc1sc(Cl)c(c1)C(=O)C PI-21085 [0,1,0,0,1,0|2,0,0]=4 1152 B12R1.4 C1=CC(=CC=C1CC(=O)O)CBr PI-30129 [0,1,0,0,0,1|1,0,0]=3 1153 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N PI-10998 [0,1,0,0,0,1|0,0,1]=3 1154 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O PI-10856 [0,1,0,0,0,1|0,0,1]=3 1155 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl PI-26732 [0,1,0,0,0,1|0,0,0]=2 1156 B12R1.4 CC(=O)NC1=CC=C(C=C1)SC PI-26041 [0,1,0,0,0,1|0,0,0]=2 1157 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C PI-26362 [0,1,0,0,0,1|0,0,1]=3 1158 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O PI-27962 [0,1,0,0,0,1|0,0,1]=3 1159 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,1,0,0,0,1|1,0,1]=4 1160 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C PI-26566 [0,1,0,0,0,1|0,0,0]=2 1161 B12R1.4 CCc1ccc(cc1)CC(=O)C PI-15443 [0,1,0,0,0,1|0,0,0]=2 1162 B12R1.4 COC1=CC=C(C=C1)CC(=O)Cl PI-46936 [0,1,0,0,0,1|1,0,0]=3 1163 B12R1.4 COc1ccc(cc1)CC(=O)C PI-12198 [0,1,0,0,0,1|0,0,0]=2 1164 B12R1.4 COc1ccc(cc1)CC(=O)O PI-22754 [0,1,0,0,0,1|1,0,0]=3 1165 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O PI-30187 [0,1,0,0,0,1|1,0,0]=3 1166 B12R1.4 OCc1ccc(cc1)CC(=O)O PI-30890 [0,1,0,0,0,1|1,0,0]=3 1167 B12R1.4 OCc1ccc(cc1)NC(=O)C PI-26188 [0,1,0,0,0,1|0,0,0]=2 1168 B12R1.19 C1=C(C=C(C(=C1)F)Cl)CC(=O)O PI-28777 [0,1,0,0,0,1|2,0,0]=4 1169 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O PI-10051 [0,1,0,0,0,1|2,0,0]=4 1170 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl PI-12710 [0,1,0,0,0,1|2,0,0]=4 1171 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)O PI-30493 [0,1,0,0,0,1|2,0,0]=4 1172 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F PI-13375 [0,1,0,0,0,1|2,0,0]=4 1173 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)N PI-11326 [0,1,0,0,0,1|1,0,0]=3 1174 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl PI-19534 [0,1,0,0,0,1|1,0,0]=3 1175 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 PI-26031 [0,1,0,0,0,1|2,0,0]=4 1176 B12R1.19 OC(=O)Cc1ccc(c(c1)F)C PI-23761 [0,1,0,0,0,1|1,0,0]=3 1177 B12R1.19 OC(=O)Cc1ccc(c(c1)F)N PI-36900 [0,1,0,0,0,1|2,0,0]=4 1178 B12R1.19 OC(=O)Cc1ccc(c(c1)F)O PI-30640 [0,1,0,0,0,1|2,0,0]=4 1179 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br PI-30107 [0,1,0,0,0,1|2,0,0]=4 1180 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-15413 [0,1,0,0,0,1|2,0,0]=4 1181 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21861 [0,1,0,0,0,1|2,0,0]=4 1182 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21862 [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16851 [0,1,0,0,0,1|2,0,0]=4 1184 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16852 [0,1,0,0,0,1|2,0,0]=4 1185 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O PI-27356 [0,1,0,0,0,1|2,0,0]=4 1186 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br PI-12127 [0,1,0,0,0,1|2,0,0]=4 1187 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl PI-11218 [0,1,0,0,0,1|2,0,0]=4 1188 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [0,1,0,0,0,1|2,0,0]=4 1189 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [0,1,0,0,0,1|1,0,0]=3 1190 B12R1.20 CC1=CC=C(C=C1)N(C)C(=S)Cl PI-24488 [0,1,0,0,0,1|1,1,0]=4 1191 B12R1.20 NC(c1ccc(cc1)F)C(=O)O PI-10414 [0,1,0,0,0,1|2,0,0]=4 1192 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N PI-27478 [0,1,0,0,0,1|2,0,0]=4 1193 B12R1.20 OC(c1ccc(cc1)F)C(=O)O PI-12126 [0,1,0,0,0,1|2,0,0]=4 1194 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,1,0,0,0,1|2,0,0]=4 1195 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [0,1,0,0,0,1|2,0,0]=4 1196 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [0,1,0,0,0,1|2,0,0]=4 1197 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)Cl PI-20206 [0,1,0,0,0,1|1,0,0]=3 1198 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F PI-15659 [0,1,0,0,0,1|1,0,0]=3 1199 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,1,0,0,0,1|1,0,0]=3 1200 B12R1.49 CCC(=O)SC1=CC=C(C=C1)C PI-19241 [0,1,0,0,0,1|0,0,0]=2 1201 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [0,1,0,0,0,1|1,0,0]=3 1202 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [0,1,0,0,0,1|1,0,0]=3 1203 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,1,0,0,0,1|1,0,0]=3 1204 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [0,1,0,0,0,1|1,0,0]=3 1205 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [0,1,0,0,0,1|1,0,0]=3 1206 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [0,1,0,0,0,1|0,0,0]=2 1207 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,1,0,0,0,1|1,0,1]=4 1208 B12R1.49 NNC(=S)Nc1ccc(cc1)C PI-24092 [0,1,0,0,0,1|1,1,0]=4 1209 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl PI-24456 [0,1,0,0,0,1|2,0,0]=4 1210 B12R1.106 Fc1ccc(cc1)CS(=O)(=O)C PI-23499 [0,1,0,0,0,1|2,0,0]=4 1211 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O PI-11746 [0,1,0,0,0,1|2,0,0]=4 1212 B12R1.233 C1=CC(=C(C=C1F)Br)CC(=O)O PI-44979 [0,1,0,0,0,1|2,0,0]=4 1213 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O PI-30228 [0,1,0,0,0,1|2,0,0]=4 1214 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)F PI-28379 [0,1,0,0,0,1|1,0,0]=3 1215 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)I PI-50165 [0,1,0,0,0,1|1,0,0]=3 1216 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)Br PI-28019 [0,1,0,0,0,1|1,0,0]=3 1217 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F PI-34148 [0,1,0,0,0,1|1,0,0]=3 1218 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)Cl PI-37796 [0,1,0,0,0,1|1,0,0]=3 1219 B12R1.233 CC1=C(C=CC(=C1)Cl)NC(=O)C PI-20149 [0,1,0,0,0,1|1,0,0]=3 1220 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [0,1,0,0,0,1|1,0,0]=3 1221 B12R1.233 CC1=CC(=C(C=C1)NC(=S)N)C PI-23969 [0,1,0,0,0,1|1,1,0]=4 1222 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl PI-38895 [0,1,0,0,0,1|2,0,0]=4 1223 B12R1.233 OC(=O)Cc1ccc(cc1F)Br PI-35230 [0,1,0,0,0,1|2,0,0]=4 1224 B12R1.233 OC(=O)Cc1ccc(cc1F)F PI-13373 [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.5 BrCc1ccc(cc1)C(=O)OC PI-31123 [0,2,0,0,0,0|0,0,0]=2 1226 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O PI-27217 [0,2,0,0,0,0|0,0,1]=3 1227 B12R1.5 C1=CC(=CC=C1C#N)C(=O)CBr PI-20520 [0,2,0,0,0,0|0,0,1]=3 1228 B12R1.5 C1=CC(=CC=C1C#N)C(=O)NN PI-44788 [0,2,0,0,0,0|1,0,1]=4 1229 B12R1.5 CCC(=O)c1ccc(cc1)OC PI-11534 [0,2,0,0,0,0|0,0,0]=2 1230 B12R1.5 CCC1=CC=C(C=C1)C(=O)NN PI-19800 [0,2,0,0,0,0|1,0,0]=3 1231 B12R1.5 CC[N+]1=CC=C(C=C1)C(=O)OC PI-17154 [0,2,0,0,0,0|1,0,0]=3 1232 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C PI-46518 [0,2,0,0,0,0|0,0,1]=3 1233 B12R1.5 COC(=O)C1=CC=C(C=C1)CCl PI-24334 [0,2,0,0,0,0|0,0,0]=2 1234 B12R1.5 COC(=O)C1=CC=C(C=C1)CO PI-50464 [0,2,0,0,0,0|0,0,0]=2 1235 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O PI-48291 [0,2,0,0,0,0|1,0,1]=4 1236 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O PI-44040 [0,2,0,0,0,0|1,0,1]=4 1237 B12R1.5 COC(=O)c1ccc(cc1)C#N PI-31024 [0,2,0,0,0,0|0,0,1]=3 1238 B12R1.5 COC(=O)c1ccc(cc1)NC PI-30237 [0,2,0,0,0,0|0,0,0]=2 1239 B12R1.5 COC(C1=CN=C(C=C1)CO)=O PI-33159 [0,2,0,0,0,0|1,0,0]=3 1240 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr PI-13027 [0,2,0,0,0,0|0,0,0]=2 1241 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl PI-30325 [0,2,0,0,0,0|0,0,0]=2 1242 B12R1.5 COC1=CC=C(C=C1)C(=O)CN PI-30558 [0,2,0,0,0,0|0,0,0]=2 1243 B12R1.5 COC1=CC=C(C=C1)C(=O)CO PI-29587 [0,2,0,0,0,0|0,0,0]=2 1244 B12R1.5 COC1=CC=C(C=C1)C(=O)NN PI-29486 [0,2,0,0,0,0|1,0,0]=3 1245 B12R1.5 COC1=CC=C(C=C1)C(=O)OC PI-31766 [0,2,0,0,0,0|0,0,0]=2 1246 B12R1.5 COC1=NC=C(N=C1)C(=O)OC PI-50193 [0,2,0,0,0,0|2,0,0]=4 1247 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 PI-11559 [0,2,0,0,0,0|1,0,0]=3 1248 B12R1.6 BrCc1ccc(cc1)C(C)(C)C PI-12017 [0,2,0,0,0,0|1,0,1]=4 1249 B12R1.6 C1=CC(=CC=C1CBr)S(=O)(=O)Cl PI-15440 [0,2,0,0,0,0|2,0,0]=4 1250 B12R1.6 C1=CC(=CC=C1CCl)S(=O)(=O)F PI-19631 [0,2,0,0,0,0|2,0,0]=4 1251 B12R1.6 C1=CC(=CC=C1CN)S(=O)(=O)N PI-21817 [0,2,0,0,0,0|2,0,0]=4 1252 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN PI-15629 [0,2,0,0,0,0|1,0,1]=4 1253 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CO PI-46935 [0,2,0,0,0,0|1,0,1]=4 1254 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)O PI-45415 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.6 CCc1ccc(cc1)S(=O)(=O)Cl PI-33423 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)Cl PI-24684 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O PI-25652 [0,2,0,0,0,0|1,0,1]=4 1258 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CCl PI-14891 [0,2,0,0,0,0|1,0,0]=3 1259 B12R1.6 ClCc1ccc(cc1)C(C)(C)C PI-12472 [0,2,0,0,0,0|1,0,1]=4 1260 B12R1.6 NCc1ccc(cc1)S(=O)(=O)C PI-38598 [0,2,0,0,0,0|1,0,0]=3 1261 B12R1.6 NCc1ccc(cc1)S(=O)(=O)N PI-27156 [0,2,0,0,0,0|2,0,0]=4 1262 B12R1.48 C1=CC(=C(C=C1[N+](=O)[O-])N)CO PI-26910 [0,2,0,0,0,0|2,0,0]=4 1263 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl PI-30545 [0,2,0,0,0,0|0,0,0]=2 1264 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)I PI-30933 [0,2,0,0,0,0|0,0,0]=2 1265 B12R1.48 CC1=C(C=CC(=C1)[N+](=O)[O-])CO PI-49446 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.48 CC1=C(C=CC(=C1)[N+](=O)[O-])NC PI-26043 [0,2,0,0,0,0|2,0,0]=4 1267 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)O PI-27034 [0,2,0,0,0,0|1,0,0]=3 1268 B12R1.48 CCc1ccc(cc1N)[N+](=O)[O-] PI-38842 [0,2,0,0,0,0|2,0,0]=4 1269 B12R1.48 CNC1=C(C=C(C=C1)[N+](=O)[O-])N PI-48744 [0,2,0,0,0,0|2,0,0]=4 1270 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F PI-23716 [0,2,0,0,0,0|1,0,0]=3 1271 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N PI-11538 [0,2,0,0,0,0|1,0,0]=3 1272 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br PI-30998 [0,2,0,0,0,0|1,0,0]=3 1273 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F PI-13362 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N PI-30426 [0,2,0,0,0,0|1,0,0]=3 1275 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O PI-10869 [0,2,0,0,0,0|1,0,0]=3 1276 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Br PI-22191 [0,2,0,0,0,0|2,0,0]=4 1277 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-29624 [0,2,0,0,0,0|2,0,0]=4 1278 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])F PI-28551 [0,2,0,0,0,0|2,0,0]=4 1279 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])[O-] PI-27834 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)F PI-50022 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.48 COc1ccc(cc1Br)C(=O)C PI-21565 [0,2,0,0,0,0|0,0,0]=2 1282 B12R1.48 COc1ccc(cc1Cl)C(=O)O PI-30550 [0,2,0,0,0,0|1,0,0]=3 1283 B12R1.48 COc1ccc(cc1F)C(=O)C PI-16157 [0,2,0,0,0,0|0,0,0]=2 1284 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] PI-13703 [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] PI-15695 [0,2,0,0,0,0|2,0,0]=4 1286 B12R1.48 COc1ccc(nc1Br)C(=O)O PI-38347 [0,2,0,0,0,0|2,0,0]=4 1287 B12R1.48 O=C(O)C1=CC=C(C#N)C(F)=C1 PI-37119 [0,2,0,0,0,0|1,0,1]=4 1288 B12R1.48 O=C(O)C1=CC=C(C=O)C(O)=C1 PI-33362 [0,2,0,0,0,0|1,0,1]=4 1289 B12R1.113 BrCCc1ccc(cc1)[N+](=O)[O-] PI-28623 [0,2,0,0,0,0|2,0,0]=4 1290 B12R1.113 C1=CC(=CC=C1C(=O)O)N=C=S PI-23095 [0,2,0,0,0,0|1,0,1]=4 1291 B12R1.113 C1=CC(=CC=C1CCN)[N+](=O)[O-] PI-44091 [0,2,0,0,0,0|2,0,0]=4 1292 B12R1.113 C1=CC(=CC=C1CON)[N+](=O)[O-] PI-26285 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.113 CC(=O)C1=CC=C(C=C1)CCBr PI-29574 [0,2,0,0,0,0|0,0,0]=2 1294 B12R1.113 CC(=O)C1=CC=C(C=C1)CCCl PI-29851 [0,2,0,0,0,0|0,0,0]=2 1295 B12R1.113 CC(C)C1=CC=C(C=C1)CC#N PI-19627 [0,2,0,0,0,0|1,0,1]=4 1296 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C PI-12355 [0,2,0,0,0,0|0,0,0]=2 1297 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C PI-12228 [0,2,0,0,0,0|0,0,0]=2 1298 B12R1.113 CCOC1=CC=C(C=C1)C(=O)Cl PI-25220 [0,2,0,0,0,0|1,0,0]=3 1299 B12R1.113 CCOC1=CC=C(C=C1)C(=O)N PI-25676 [0,2,0,0,0,0|1,0,0]=3 1300 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O PI-50295 [0,2,0,0,0,0|1,0,0]=3 1301 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O PI-49822 [0,2,0,0,0,0|0,0,2]=4 1302 B12R1.113 CNCC1=CC=C(C=C1)[N+](=O)[O-] PI-26258 [0,2,0,0,0,0|2,0,0]=4 1303 B12R1.113 N#CCc1ccc(cc1)[N+](=O)[O-] PI-31352 [0,2,0,0,0,0|2,0,0]=4 1304 B12R1.113 NCCc1ccc(cc1)[N+](=O)[O-] PI-12152 [0,2,0,0,0,0|2,0,0]=4 1305 B12R1.113 O=C=Nc1ccc(cc1)C(=O)C PI-29630 [0,2,0,0,0,0|0,0,1]=3 1306 B12R1.113 OCCc1ccc(cc1)[N+](=O)[O-] PI-28018 [0,2,0,0,0,0|2,0,0]=4 1307 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O PI-16433 [0,2,0,0,0,0|1,0,0]=3 1308 B12R1.256 C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-] PI-50443 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.256 CC(=C)C1=CC=C(C=C1)C(=C)C PI-50178 [0,2,0,0,0,0|1,0,0]=3 1310 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C PI-29027 [0,2,0,0,0,0|0,0,0]=2 1311 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C PI-29338 [0,2,0,0,0,0|0,0,0]=2 1312 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O PI-10308 [0,2,0,0,0,0|0,0,1]=3 1313 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C PI-12756 [0,2,0,0,0,0|0,0,0]=2 1314 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O PI-10224 [0,2,0,0,0,0|1,0,0]=3 1315 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)C PI-44046 [0,2,0,0,0,0|1,0,0]=3 1316 B12R1.256 CC(C1=CC=C(C=C1)C(=O)N)O PI-44117 [0,2,0,0,0,0|1,0,0]=3 1317 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N PI-26310 [0,2,0,0,0,0|2,0,0]=4 1318 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N PI-26626 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C PI-30028 [0,2,0,0,0,0|2,0,0]=4 1320 B12R1.256 CN(c1ccc(cc1)C(=O)O)C PI-33461 [0,2,0,0,0,0|1,0,0]=3 1321 B12R1.256 CN(c1ccc(cc1)N(C)C)C PI-30819 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.256 C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O PI-49812 [0,2,0,0,0,0|2,0,0]=4 1323 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C PI-46040 [0,2,0,0,0,0|1,1,0]=4 1324 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C PI-50095 [0,2,0,0,0,0|1,1,0]=4 1325 B12R1.256 NC(=N)c1ccc(cc1)C(=O)N PI-30758 [0,2,0,0,0,0|1,0,1]=4 1326 B12R1.256 NC(=O)c1ccc(cc1)C(=O)O PI-24516 [0,2,0,0,0,0|1,0,1]=4 1327 B12R1.256 N[C@H](C)C1=CC=C([N+]([O-])=O)C=C1 PI-26752 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.256 OB(c1ccc(cc1)C(=O)N)O PI-25096 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.256 OB(c1ccc(cc1)C(=O)O)O PI-10310 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.452 BrCc1ccc(c(c1)F)[N+](=O)[O-] PI-26104 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.452 C1=CC(=C(C=C1C#N)F)C(=O)O PI-20302 [0,2,0,0,0,0|1,0,1]=4 1332 B12R1.452 C1=CC(=C(C=C1CBr)I)[N+](=O)[O-] PI-19311 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC PI-41092 [0,2,0,0,0,0|1,0,0]=3 1334 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F PI-12716 [0,2,0,0,0,0|0,0,0]=2 1335 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N PI-30608 [0,2,0,0,0,0|0,0,0]=2 1336 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O PI-11034 [0,2,0,0,0,0|0,0,0]=2 1337 B12R1.452 CC1=C(C=CC(=C1)OC)[N+](=O)[O-] PI-26719 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl PI-33352 [0,2,0,0,0,0|1,0,0]=3 1339 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I PI-50080 [0,2,0,0,0,0|1,0,0]=3 1340 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O PI-10049 [0,2,0,0,0,0|1,0,0]=3 1341 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])F PI-29599 [0,2,0,0,0,0|2,0,0]=4 1342 B12R1.452 COc1ccc(C(=O)N)c(O)c1 PI-32435 [0,2,0,0,0,0|1,0,0]=3 1343 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] PI-36894 [0,2,0,0,0,0|2,0,0]=4 1344 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] PI-29347 [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] PI-29863 [0,2,0,0,0,0|2,0,0]=4 1346 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Cl)[O-] PI-41816 [0,2,0,0,0,0|2,0,0]=4 1347 B12R1.452 OCC1=CC=C([N+]([O-])=O)C(C)=C1 PI-26918 [0,2,0,0,0,0|2,0,0]=4 1348 B12R1.452 OCc1ccc(c(c1)F)[N+](=O)[O-] PI-38269 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.452 OCc1ccc(c(c1)N)[N+](=O)[O-] PI-29171 [0,2,0,0,0,0|2,0,0]=4 1350 B12R1.9 C#CS(=O)(=O)c1ccc(cc1)C PI-19119 [0,2,0,0,0,0|1,0,1]=4 1351 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)CCl PI-19888 [0,2,0,0,0,0|1,0,0]=3 1352 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)CF PI-46464 [0,2,0,0,0,0|1,0,0]=3 1353 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)NC PI-33427 [0,2,0,0,0,0|1,0,0]=3 1354 B12R1.9 CNS(=O)(=O)C1=CC=C(C=C1)Br PI-19852 [0,2,0,0,0,0|2,0,0]=4 1355 B12R1.9 CNS(=O)(=O)C1=CC=C(C=C1)N PI-17556 [0,2,0,0,0,0|2,0,0]=4 1356 B12R1.23 CC1=C(C=C(C=C1)S(=O)(=O)Cl)F PI-23739 [0,2,0,0,0,0|2,0,0]=4 1357 B12R1.23 Cc1ccc(cc1Cl)S(=O)(=O)Cl PI-20152 [0,2,0,0,0,0|2,0,0]=4 1358 B12R1.23 Fc1ccc(cc1N)S(=O)(=O)C PI-23778 [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.126 CC1=C(C=CC(=C1)F)S(=O)(=O)C PI-23758 [0,2,0,0,0,0|2,0,0]=4 1360 B12R1.126 CC1=CC(=C(C=C1)S(=O)(=O)Cl)F PI-23736 [0,2,0,0,0,0|2,0,0]=4 1361 B12R1.126 Cc1ccc(c(C)c1)S(=O)(=O)C PI-23934 [0,2,0,0,0,0|1,0,0]=3 1362 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)Cl PI-19758 [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.126 O=S(C1=CC=C(C)C=C1O)(O)=O PI-40326 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC PI-30823 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl PI-16156 [0,2,0,0,0,0|1,0,0]=3 1366 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C#C PI-44792 [0,2,0,0,0,0|1,0,0]=3 1367 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C=O PI-43250 [0,2,0,0,0,0|1,0,0]=3 1368 B12R1.56 CC1=C(C=C(C=C1)[N+](=O)[O-])C=O PI-27239 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.56 CC1=C(C=C(C=C1)[N+](=O)[O-])OC PI-12157 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [0,2,0,0,0,0|2,0,0]=4 1371 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [0,2,0,0,0,0|2,0,0]=4 1372 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [0,2,0,0,0,0|2,0,0]=4 1373 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [0,2,0,0,0,0|2,0,0]=4 1374 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.56 O=C(C1=CC=C(O)C(OC)=C1)C PI-46830 [0,2,0,0,0,0|1,0,0]=3 1376 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.56 O=Cc1cc(ccc1O)C(=O)O PI-38270 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [0,2,0,0,0,0|2,0,0]=4 1379 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [0,2,0,0,0,0|2,0,0]=4 1380 B12R1.232 C1=C(C(=CC(=C1F)Br)F)C(=O)O PI-40947 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)Cl PI-20038 [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.232 C1=C(C(=CC(=C1F)F)Cl)C(=O)O PI-16074 [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl PI-34298 [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)N PI-30997 [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.232 C1=C(C(=CC(=C1F)F)I)C(=O)O PI-34281 [0,2,0,0,0,0|2,0,0]=4 1388 B12R1.232 C1=C(C(=CC(=C1F)F)N)C(=O)O PI-10424 [0,2,0,0,0,0|2,0,0]=4 1389 B12R1.232 C1=C(C(=CC(=C1O)O)O)C(=O)O PI-11736 [0,2,0,0,0,0|2,0,0]=4 1390 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)F)F PI-30099 [0,2,0,0,0,0|1,0,0]=3 1391 B12R1.232 CC(=O)C1=CC(=C(C=C1F)Cl)F PI-29831 [0,2,0,0,0,0|1,0,0]=3 1392 B12R1.232 CC(=O)C1=CC(=C(C=C1F)F)F PI-29103 [0,2,0,0,0,0|1,0,0]=3 1393 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O PI-44126 [0,2,0,0,0,0|1,0,0]=3 1394 B12R1.232 CC(=O)c1cc(Br)c(cc1F)F PI-39136 [0,2,0,0,0,0|1,0,0]=3 1395 B12R1.232 CC(=O)c1cc(F)c(cc1Cl)Cl PI-16271 [0,2,0,0,0,0|1,0,0]=3 1396 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F PI-34463 [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C PI-27676 [0,2,0,0,0,0|1,0,0]=3 1398 B12R1.232 CC1=CC(=C(C=C1C)O)C(=O)C PI-23855 [0,2,0,0,0,0|0,0,0]=2 1399 B12R1.232 CC1=CC(=C(C=C1C)[N+](=O)[O-])N PI-27856 [0,2,0,0,0,0|2,0,0]=4 1400 B12R1.232 CC1=CC(=C(C=C1Cl)C(=O)C)O PI-30428 [0,2,0,0,0,0|0,0,0]=2 1401 B12R1.232 CC1=CC(=C(C=C1F)F)C(=O)O PI-34480 [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.232 CC1=CC(=C(C=C1F)[N+](=O)[O-])F PI-21203 [0,2,0,0,0,0|2,0,0]=4 1403 B12R1.232 CC1=CC(=C(C=C1N)C(C)C)O PI-19061 [0,2,0,0,0,0|1,0,1]=4 1404 B12R1.232 CC1=CC(=C(C=C1N)[N+](=O)[O-])N PI-33976 [0,2,0,0,0,0|2,0,0]=4 1405 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C PI-49847 [0,2,0,0,0,0|1,0,1]=4 1406 B12R1.232 ClC(=O)c1cc(F)c(cc1Cl)Cl PI-28871 [0,2,0,0,0,0|2,0,0]=4 1407 B12R1.232 Fc1cc(C(=O)O)c(F)cc1C PI-34461 [0,2,0,0,0,0|1,0,0]=3 1408 B12R1.232 Fc1cc(C(=O)O)c(F)cc1F PI-16078 [0,2,0,0,0,0|2,0,0]=4 1409 B12R1.232 Fc1cc(C(=O)O)c(cc1N)F PI-34478 [0,2,0,0,0,0|2,0,0]=4 1410 B12R1.232 O=C(O)C1=CC(C)=C(C)C=C1N PI-40810 [0,2,0,0,0,0|1,0,0]=3 1411 B12R1.232 O=C(O)C1=CC(N)=C(C)C=C1C PI-36846 [0,2,0,0,0,0|1,0,0]=3 1412 B12R1.232 OC(=O)c1cc(Cl)c(F)cc1F PI-10197 [0,2,0,0,0,0|2,0,0]=4 1413 B12R1.232 [O-][N+](=O)c1cc(Cl)c(cc1O)C PI-29873 [0,2,0,0,0,0|2,0,0]=4 1414 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)F)F PI-21210 [0,2,0,0,0,0|1,0,0]=3 1415 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)Cl)Cl PI-30613 [0,2,0,0,0,0|1,0,0]=3 1416 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O PI-12891 [0,2,0,0,0,0|1,0,0]=3 1417 B12R1.367 C1=CC(=C(C=C1C(=O)NN)Cl)Cl PI-50327 [0,2,0,0,0,0|2,0,0]=4 1418 B12R1.367 C1=CC(=C(C=C1C(=O)NN)F)F PI-50448 [0,2,0,0,0,0|2,0,0]=4 1419 B12R1.367 C1=CC(=C(C=C1C(=O)NN)N)N PI-50369 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.367 C1=CC(=C(C=C1C(=O)NN)O)O PI-30566 [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.367 CC1=C(C=C(C=C1)C(=NO)N)F PI-23734 [0,2,0,0,0,0|1,0,1]=4 1422 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Br PI-30048 [0,2,0,0,0,0|0,0,0]=2 1423 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)C PI-30556 [0,2,0,0,0,0|0,0,0]=2 1424 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Cl PI-32079 [0,2,0,0,0,0|0,0,0]=2 1425 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44887 [0,2,0,0,0,0|0,0,0]=2 1426 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44912 [0,2,0,0,0,0|0,0,0]=2 1427 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)N PI-28231 [0,2,0,0,0,0|0,0,0]=2 1428 B12R1.367 CC1=C(C=CC(=C1)C(=O)NN)Br PI-50352 [0,2,0,0,0,0|2,0,0]=4 1429 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)Br PI-22130 [0,2,0,0,0,0|1,0,0]=3 1430 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)N PI-20693 [0,2,0,0,0,0|1,0,0]=3 1431 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl PI-12719 [0,2,0,0,0,0|1,0,0]=3 1432 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)Br PI-17446 [0,2,0,0,0,0|1,0,0]=3 1433 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F PI-17410 [0,2,0,0,0,0|1,0,0]=3 1434 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)O PI-17412 [0,2,0,0,0,0|1,0,0]=3 1435 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)O PI-50476 [0,2,0,0,0,0|1,0,0]=3 1436 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl PI-18437 [0,2,0,0,0,0|1,0,0]=3 1437 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F PI-50576 [0,2,0,0,0,0|1,0,0]=3 1438 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)N PI-40951 [0,2,0,0,0,0|1,0,0]=3 1439 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Br PI-50477 [0,2,0,0,0,0|1,0,0]=3 1440 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O PI-30817 [0,2,0,0,0,0|1,0,0]=3 1441 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Br PI-34712 [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)O PI-48213 [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 PI-41936 [0,2,0,0,0,0|1,0,0]=3 1444 B12R1.367 COC(=O)c1ccc(O)c(C)c1 PI-36002 [0,2,0,0,0,0|1,0,0]=3 1445 B12R1.367 COC(=O)c1ccc(O)c(I)c1 PI-36756 [0,2,0,0,0,0|1,0,0]=3 1446 B12R1.367 COC(=O)c1ccc(O)c(O)c1 PI-18336 [0,2,0,0,0,0|1,0,0]=3 1447 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O PI-30567 [0,2,0,0,0,0|1,0,0]=3 1448 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl PI-18531 [0,2,0,0,0,0|1,0,0]=3 1449 B12R1.367 COC(=O)c1ccc(c(c1)N)N PI-30534 [0,2,0,0,0,0|1,0,0]=3 1450 B12R1.367 COC(=O)c1ccc(c(c1)N)O PI-39416 [0,2,0,0,0,0|1,0,0]=3 1451 B12R1.367 NNC(=O)c1ccc(Br)c(Cl)c1 PI-20609 [0,2,0,0,0,0|2,0,0]=4 1452 B12R1.367 NNC(=O)c1ccc(Cl)c(Br)c1 PI-20607 [0,2,0,0,0,0|2,0,0]=4 1453 B12R1.367 O=C(NN)C1=CC=C(F)C(Br)=C1 PI-41832 [0,2,0,0,0,0|2,0,0]=4 1454 B12R1.367 O=C(OC)C1=CN=C(N)C(Br)=C1 PI-37123 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.367 OC1=CC=C(C([O-4][K+2])=O)C=C1O PI-50444 [0,2,0,0,0,0|2,0,0]=4 1456 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)Cl)F PI-20037 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.893 C1=CC(=C(C(=C1C(=O)N)F)F)F PI-30289 [0,2,0,0,0,0|2,0,0]=4 1458 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)Cl)F PI-20034 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)O PI-34339 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.893 C1=CC(=C(C(=C1C(=O)O)O)O)O PI-27783 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.893 CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl PI-12808 [0,2,0,0,0,0|1,0,0]=3 1462 B12R1.893 CC(=O)C1=C(C(=C(C=C1)O)O)O PI-29660 [0,2,0,0,0,0|1,0,0]=3 1463 B12R1.893 CC1=C(C(=C(C=C1)C(=O)Cl)F)F PI-21201 [0,2,0,0,0,0|1,0,0]=3 1464 B12R1.893 CC1=C(C(=C(C=C1)[N+](=O)[O-])Cl)O PI-28476 [0,2,0,0,0,0|2,0,0]=4 1465 B12R1.893 CC1=C(C=CC(=C1O)C(=O)C)O PI-29030 [0,2,0,0,0,0|1,0,0]=3 1466 B12R1.893 NC1=C(C=CC(F)=C1F)C(O)=O PI-41759 [0,2,0,0,0,0|2,0,0]=4 1467 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1N PI-41747 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.893 O=C(O)C1=CC=C(C)C(F)=C1F PI-37178 [0,2,0,0,0,0|1,0,0]=3 1469 B12R1.893 OC(=O)c1ccc(F)c(F)c1F PI-16077 [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.893 OC(=O)c1ccc(c(c1C)F)F PI-34462 [0,2,0,0,0,0|2,0,0]=4 1471 B12R1.893 OC(=O)c1ccc(c(c1F)C)F PI-34460 [0,2,0,0,0,0|2,0,0]=4 1472 B12R1.893 OC(=O)c1ccc(c(c1F)F)N PI-38299 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.893 OC(=O)c1ccc(c(c1N)C)C PI-32620 [0,2,0,0,0,0|1,0,0]=3 1474 B12R1.893 OC(=O)c1ccc(c(c1N)I)C PI-34646 [0,2,0,0,0,0|1,0,0]=3 1475 B12R1.893 [O-][N+](=O)c1ccc(c(c1C)N)C PI-36932 [0,2,0,0,0,0|2,0,0]=4 1476 B12R1.1005 C1=C(C=C(C(=C1Br)N)Br)C(=O)O PI-16434 [0,2,0,0,0,0|2,0,0]=4 1477 B12R1.1005 C1=C(C=C(C(=C1Br)O)Br)C(=O)O PI-32491 [0,2,0,0,0,0|2,0,0]=4 1478 B12R1.1005 C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O PI-10216 [0,2,0,0,0,0|2,0,0]=4 1479 B12R1.1005 C1=C(C=C(C(=C1I)N)I)C(=O)O PI-30306 [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.1005 C1=C(C=C(C(=C1I)O)I)C(=O)O PI-50669 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.1005 C1=C(C=C(C(=C1O)Br)O)C(=O)N PI-30122 [0,2,0,0,0,0|2,0,0]=4 1482 B12R1.1005 C1=C(C=C(C(=C1O)Br)O)C(=O)O PI-31080 [0,2,0,0,0,0|2,0,0]=4 1483 B12R1.1005 C1=C(C=C(C(=C1O)O)O)C(=O)N PI-30786 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.1005 C1=C(C=C(C(=C1O)O)O)C(=O)O PI-41884 [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.1005 C1=C(C=C(Cl)C(=C1Cl)N)C(C)=O PI-16160 [0,2,0,0,0,0|1,0,0]=3 1486 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Br)O)Br PI-29437 [0,2,0,0,0,0|1,0,0]=3 1487 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl PI-29196 [0,2,0,0,0,0|1,0,0]=3 1488 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)F)F)F PI-29351 [0,2,0,0,0,0|1,0,0]=3 1489 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)F)N)F PI-30944 [0,2,0,0,0,0|1,0,0]=3 1490 B12R1.1005 CC1=C(C=C(C=C1Br)C(=O)O)Br PI-20976 [0,2,0,0,0,0|1,0,0]=3 1491 B12R1.1005 CC1=C(C=C(C=C1O)C(=O)O)O PI-10217 [0,2,0,0,0,0|1,0,0]=3 1492 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N PI-12465 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.1005 O=C(N)C1=CC(F)=C(F)C(F)=C1 PI-30929 [0,2,0,0,0,0|2,0,0]=4 1494 B12R1.1005 OC(=O)c1cc(C)c(c(c1)C)O PI-27630 [0,2,0,0,0,0|2,0,0]=4 1495 B12R1.1005 OC(=O)c1cc(Cl)c(c(c1)Cl)Cl PI-35507 [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.1005 OC(=O)c1cc(Cl)c(c(c1)Cl)N PI-11020 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.1005 OC(=O)c1cc(F)c(F)c(F)c1 PI-16080 [0,2,0,0,0,0|2,0,0]=4 1498 B12R1.1005 OC(=O)c1cc(F)c(c(c1)F)N PI-38301 [0,2,0,0,0,0|2,0,0]=4 1499 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)Br PI-14507 [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)I PI-50638 [0,2,0,0,0,0|1,0,0]=3 1501 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br PI-17566 [0,2,0,0,0,0|1,0,0]=3 1502 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl PI-12841 [0,2,0,0,0,0|1,0,0]=3 1503 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F PI-28418 [0,2,0,0,0,0|1,0,0]=3 1504 B12R1.16 C1=CC(=CC=C1C(=O)N=C=S)Cl PI-23161 [0,2,0,0,0,0|1,0,1]=4 1505 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26151 [0,2,0,0,0,0|1,0,1]=4 1506 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26801 [0,2,0,0,0,0|1,0,1]=4 1507 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N PI-29894 [0,2,0,0,0,0|0,0,0]=2 1508 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl PI-12818 [0,2,0,0,0,0|0,0,0]=2 1509 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [0,2,0,0,0,0|1,0,0]=3 1510 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [0,2,0,0,0,0|1,0,0]=3 1511 B12R1.16 CCOC(=N)c1ccc(cc1)Br PI-36927 [0,2,0,0,0,0|2,0,0]=4 1512 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br PI-50243 [0,2,0,0,0,0|1,0,0]=3 1513 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C PI-50598 [0,2,0,0,0,0|0,0,0]=2 1514 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl PI-34232 [0,2,0,0,0,0|1,0,0]=3 1515 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F PI-16489 [0,2,0,0,0,0|1,0,0]=3 1516 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N PI-12742 [0,2,0,0,0,0|1,0,0]=3 1517 B12R1.16 CCOC(=O)C1=CN=C(C=C1)C PI-40838 [0,2,0,0,0,0|1,0,0]=3 1518 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl PI-16734 [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.16 CCOC(=O)C1=CN=C(C=C1)N PI-31799 [0,2,0,0,0,0|2,0,0]=4 1520 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N PI-31925 [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.16 CCOC(=O)C1=NC=C(N=C1)C PI-50302 [0,2,0,0,0,0|2,0,0]=4 1522 B12R1.16 CCOC(=O)c1ccc(cc1)N PI-38042 [0,2,0,0,0,0|1,0,0]=3 1523 B12R1.16 COCC(=O)C1=CC=C(C=C1)O PI-44114 [0,2,0,0,0,0|1,0,0]=3 1524 B12R1.16 N#CCC(=O)c1ccc(Cl)cc1 PI-23155 [0,2,0,0,0,0|1,0,0]=3 1525 B12R1.16 N#CCC(=O)c1ccc(cc1)F PI-23466 [0,2,0,0,0,0|1,0,0]=3 1526 B12R1.1703 C1=CC(=C(C=C1Br)Br)C(=O)CBr PI-31571 [0,2,0,0,0,0|1,0,0]=3 1527 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CBr PI-12358 [0,2,0,0,0,0|1,0,0]=3 1528 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl PI-11716 [0,2,0,0,0,0|1,0,0]=3 1529 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CN PI-10227 [0,2,0,0,0,0|1,0,0]=3 1530 B12R1.1703 C1=CC(=C(C=C1Cl)O)C(=O)NO PI-30783 [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)C=O PI-21222 [0,2,0,0,0,0|1,0,1]=4 1532 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CBr PI-11717 [0,2,0,0,0,0|1,0,0]=3 1533 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CCl PI-28595 [0,2,0,0,0,0|1,0,0]=3 1534 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CN PI-10228 [0,2,0,0,0,0|1,0,0]=3 1535 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)NN PI-21139 [0,2,0,0,0,0|2,0,0]=4 1536 B12R1.1703 C1=CC(=C(C=C1N)O)C(=O)NN PI-50258 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CBr PI-30376 [0,2,0,0,0,0|1,0,0]=3 1538 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CCl PI-50684 [0,2,0,0,0,0|1,0,0]=3 1539 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN PI-50279 [0,2,0,0,0,0|2,0,0]=4 1540 B12R1.1703 CC(=NO)C1=C(C=C(C=C1)Cl)Cl PI-20999 [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.1703 CC1=C(C=CC(=C1)Cl)C(=O)OC PI-50465 [0,2,0,0,0,0|1,0,0]=3 1542 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC PI-50475 [0,2,0,0,0,0|1,0,0]=3 1543 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PI-29413 [0,2,0,0,0,0|0,0,0]=2 1544 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)O PI-28558 [0,2,0,0,0,0|0,0,0]=2 1545 B12R1.1703 CC1=CC(=CN=C1C(=O)OC)Br PI-48295 [0,2,0,0,0,0|2,0,0]=4 1546 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-17228 [0,2,0,0,0,0|1,0,0]=3 1547 B12R1.1703 CCC(=O)c1ccc(cc1F)F PI-28864 [0,2,0,0,0,0|1,0,0]=3 1548 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 PI-39273 [0,2,0,0,0,0|1,0,0]=3 1549 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)Cl PI-50469 [0,2,0,0,0,0|1,0,0]=3 1550 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)N PI-33943 [0,2,0,0,0,0|1,0,0]=3 1551 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)O PI-43951 [0,2,0,0,0,0|1,0,0]=3 1552 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl PI-30511 [0,2,0,0,0,0|1,0,0]=3 1553 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)F PI-44533 [0,2,0,0,0,0|1,0,0]=3 1554 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)N PI-11781 [0,2,0,0,0,0|1,0,0]=3 1555 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl PI-33820 [0,2,0,0,0,0|1,0,0]=3 1556 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)F PI-28041 [0,2,0,0,0,0|1,0,0]=3 1557 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PI-33942 [0,2,0,0,0,0|1,0,0]=3 1558 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PI-18539 [0,2,0,0,0,0|1,0,0]=3 1559 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl PI-36171 [0,2,0,0,0,0|1,0,0]=3 1560 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O PI-10048 [0,2,0,0,0,0|1,0,0]=3 1561 B12R1.1703 COC(=O)C1=NC=C(C=C1Cl)Br PI-44607 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PI-33141 [0,2,0,0,0,0|2,0,0]=4 1563 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C PI-42589 [0,2,0,0,0,0|1,0,0]=3 1564 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F PI-42389 [0,2,0,0,0,0|1,0,0]=3 1565 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC PI-27655 [0,2,0,0,0,0|1,0,0]=3 1566 B12R1.57 CC1=CC(=C(C=C1)[N+](=O)[O-])CO PI-26837 [0,2,0,0,0,0|2,0,0]=4 1567 B12R1.57 COc1cc(C)ccc1C(=O)O PI-36551 [0,2,0,0,0,0|1,0,0]=3 1568 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] PI-29537 [0,2,0,0,0,0|2,0,0]=4 1569 B12R1.57 COc1cc(Cl)ccc1C(=O)O PI-28661 [0,2,0,0,0,0|2,0,0]=4 1570 B12R1.1000 C1=C(C=C(C(=C1Br)C(=O)O)Br)Br PI-47141 [0,2,0,0,0,0|2,0,0]=4 1571 B12R1.1000 C1=C(C=C(C(=C1Cl)C(=O)Cl)Cl)Cl PI-32962 [0,2,0,0,0,0|2,0,0]=4 1572 B12R1.1000 C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl PI-31210 [0,2,0,0,0,0|2,0,0]=4 1573 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)N)F)F PI-30947 [0,2,0,0,0,0|2,0,0]=4 1574 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)O)F)Br PI-28222 [0,2,0,0,0,0|2,0,0]=4 1575 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1C PI-29186 [0,2,0,0,0,0|0,0,0]=2 1576 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PI-11028 [0,2,0,0,0,0|1,0,0]=3 1577 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PI-30377 [0,2,0,0,0,0|1,0,0]=3 1578 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C PI-31205 [0,2,0,0,0,0|1,0,0]=3 1579 B12R1.1000 CC1=CC(=C(C(=C1)C)[N+](=O)[O-])C PI-19753 [0,2,0,0,0,0|2,0,0]=4 1580 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O PI-19639 [0,2,0,0,0,0|1,0,0]=3 1581 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)C)O PI-15821 [0,2,0,0,0,0|1,0,0]=3 1582 B12R1.1000 CC1=CC(=CC(=C1C(=O)N)Cl)Cl PI-21052 [0,2,0,0,0,0|2,0,0]=4 1583 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)C)O PI-34840 [0,2,0,0,0,0|2,0,0]=4 1584 B12R1.1000 CC1=CC(=NC(=C1C(=O)N)N)C PI-14084 [0,2,0,0,0,0|2,0,0]=4 1585 B12R1.1000 CC1=CC(=O)C(C(=O)O1)C(=O)C PI-15822 [0,2,0,0,0,0|1,0,1]=4 1586 B12R1.1000 Cc1cc(C)c(C(=O)Cl)c(C)c1 PI-12137 [0,2,0,0,0,0|1,0,0]=3 1587 B12R1.1000 Fc1cc(F)c(C(=O)O)c(F)c1 PI-16079 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.1000 O=C(O)C1=C(O)C=C(O)C=C1O PI-37375 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.1000 Oc1cc(F)c(C(=O)O)c(F)c1 PI-28272 [0,2,0,0,0,0|2,0,0]=4 1590 B10R1.54 CC1=CSC(=C1)CC(=O)C PI-48378 [0,0,1,1,0,0|1,0,1]=4 1591 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [1,0,0,1,0,0|1,0,1]=4 1592 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [1,0,0,1,0,0|1,0,1]=4 1593 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [1,0,0,1,0,0|1,0,1]=4 1594 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|1,0,1]=4 1595 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|0,0,2]=4 1596 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|0,0,2]=4 1597 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|0,0,0]=2 1598 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,1]=4 1599 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)N2 PI-45071 [0,0,0,1,0,1|2,0,0]=4 1600 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)S2 PI-45345 [0,0,0,1,0,1|2,0,0]=4 1601 B12R2.606 C1=CC2=C(C=C1Br)SC(=O)N2 PI-45346 [0,0,0,1,0,1|2,0,0]=4 1602 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 PI-12815 [0,0,0,1,0,1|2,0,0]=4 1603 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 PI-12045 [0,0,0,1,0,1|2,0,0]=4 1604 B12R2.606 C1=CC2=C(C=C1Cl)SC(=O)N2 PI-45343 [0,0,0,1,0,1|2,0,0]=4 1605 B12R2.606 C1=CC2=C(C=C1F)NC(=O)S2 PI-45348 [0,0,0,1,0,1|2,0,0]=4 1606 B12R2.606 C1=CC2=C(C=C1F)SC(=O)N2 PI-45349 [0,0,0,1,0,1|2,0,0]=4 1607 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 PI-28900 [0,0,0,1,0,1|2,0,0]=4 1608 B12R2.606 C1=CC2=C(C=C1N)SC(=O)N2 PI-45354 [0,0,0,1,0,1|2,0,0]=4 1609 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [0,0,0,1,0,1|1,0,0]=3 1610 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,0,0,1,0,1|1,0,0]=3 1611 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [0,0,0,1,0,1|2,0,0]=4 1612 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [0,0,0,1,0,1|2,0,0]=4 1613 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [0,0,0,1,0,1|1,0,0]=3 1614 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [0,0,0,1,0,1|1,0,0]=3 1615 B12R2.606 CC1=CC2=C(C=C1)N=C(N2)C PI-45227 [0,0,0,1,0,1|1,0,0]=3 1616 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PI-45362 [0,0,0,1,0,1|0,1,0]=3 1617 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)Cl PI-45327 [0,0,0,1,0,1|1,1,0]=4 1618 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N PI-45051 [0,0,0,1,0,1|1,1,0]=4 1619 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C PI-23861 [0,0,0,1,0,1|1,0,0]=3 1620 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 PI-45351 [0,0,0,1,0,1|1,0,0]=3 1621 B12R2.606 CC1=CC2=C(C=C1)NC(=S)N2 PI-11853 [0,0,0,1,0,1|1,1,0]=4 1622 B12R2.606 CC1=CC2=C(C=C1)NC(=S)S2 PI-45338 [0,0,0,1,0,1|1,1,0]=4 1623 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)C PI-28651 [0,0,0,1,0,1|1,0,0]=3 1624 B12R2.606 CC1=CC2=C(C=C1)SC(=C2)Br PI-29061 [0,0,0,1,0,1|1,0,1]=4 1625 B12R2.606 CC1=CC2=C(C=C1)SC(=S)N2 PI-45342 [0,0,0,1,0,1|1,1,0]=4 1626 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)Br PI-18077 [0,0,0,1,0,1|2,0,0]=4 1627 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F PI-21877 [0,0,0,1,0,1|2,0,0]=4 1628 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N PI-14108 [0,0,0,1,0,1|2,0,0]=4 1629 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [0,0,0,1,0,1|2,0,0]=4 1630 B12R2.606 CC1=CC2=C(SC(N)=N2)C=C1 PI-11119 [0,0,0,1,0,1|2,0,0]=4 1631 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Br PI-45019 [0,0,0,1,0,1|2,0,0]=4 1632 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Cl PI-32334 [0,0,0,1,0,1|2,0,0]=4 1633 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)F PI-45214 [0,0,0,1,0,1|2,0,0]=4 1634 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)I PI-48362 [0,0,0,1,0,1|2,0,0]=4 1635 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)Cl PI-13544 [0,0,0,1,0,1|2,0,0]=4 1636 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O PI-34999 [0,0,0,1,0,1|2,0,0]=4 1637 B12R2.606 CC1=NC2=C(S1)C=C(C=C2)Br PI-45372 [0,0,0,1,0,1|1,1,0]=4 1638 B12R2.606 CC1=NC2=C(S1)C=C(C=C2)Cl PI-45371 [0,0,0,1,0,1|1,1,0]=4 1639 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)Br PI-28710 [0,0,0,1,0,1|2,0,0]=4 1640 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)Cl PI-11862 [0,0,0,1,0,1|2,0,0]=4 1641 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)N PI-30119 [0,0,0,1,0,1|2,0,0]=4 1642 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br PI-46796 [0,0,0,1,0,1|2,0,0]=4 1643 B12R2.606 Cc1ccc2c(c1)nc(s2)Cl PI-35896 [0,0,0,1,0,1|2,0,0]=4 1644 B12R2.606 Clc1ccc2[nH]c(C)cc2c1 PI-27064 [0,0,0,1,0,1|2,0,0]=4 1645 B12R2.606 Fc1ccc2sc(C)nc2c1 PI-28495 [0,0,0,1,0,1|2,0,0]=4 1646 B12R2.606 NC1=CC=C2N=C(C)SC2=C1 PI-46625 [0,0,0,1,0,1|1,1,0]=4 1647 B12R2.606 Nc1ccc2c(c1)oc(n2)C PI-37803 [0,0,0,1,0,1|1,0,1]=4 1648 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [0,0,0,1,0,1|1,0,0]=3 1649 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [0,0,0,1,0,1|2,0,0]=4 1650 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [0,0,0,1,0,1|2,0,0]=4 1651 B12R2.606 O=C1NC2=CC(F)=CC=C2N1 PI-46692 [0,0,0,1,0,1|2,0,0]=4 1652 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [0,0,0,1,0,1|1,0,0]=3 1653 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [0,0,0,1,0,1|1,0,0]=3 1654 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [0,0,0,1,0,1|1,0,0]=3 1655 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [0,0,0,1,0,1|1,0,0]=3 1656 B12R2.606 O=C1Oc2c(C1)cc(cc2)O PI-30406 [0,0,0,1,0,1|1,0,0]=3 1657 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 PI-34883 [0,0,0,1,0,1|2,0,0]=4 1658 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O PI-40929 [0,1,0,1,0,0|1,0,0]=3 1659 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [0,1,0,1,0,0|1,0,0]=3 1660 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,1,0,1,0,0|1,0,0]=3 1661 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,1,0,1,0,0|1,0,0]=3 1662 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [0,1,0,1,0,0|1,0,0]=3 1663 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [0,1,0,1,0,0|1,0,0]=3 1664 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [0,1,0,1,0,0|1,0,0]=3 1665 B12R2.612 C1C2=C(C=CC(=N2)Cl)C(=O)N1 PI-48341 [0,1,0,1,0,0|2,0,0]=4 1666 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,1,0,0|1,0,0]=3 1667 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,1,0,1,0,0|1,0,0]=3 1668 B12R2.612 CC1=C2C=CC(=CC2=NN1)N PI-45010 [0,1,0,1,0,0|2,0,0]=4 1669 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,1,0,1,0,0|1,0,0]=3 1670 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,1,0,1,0,0|1,0,0]=3 1671 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,1,0,0|0,0,0]=2 1672 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,1,0,1,0,0|1,0,0]=3 1673 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [0,1,0,1,0,0|1,0,0]=3 1674 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,1,0,1,0,0|1,0,0]=3 1675 B8R1.1 Brc1cc(oc1)C=O PI-21495 [1,0,0,0,1,0|2,0,0]=4 1676 B8R1.1 Brc1cc(sc1)C=O PI-16278 [1,0,0,0,1,0|2,0,0]=4 1677 B8R1.1 Brc1ccc(C=O)o1 PI-31098 [1,0,0,0,1,0|2,0,0]=4 1678 B8R1.1 Brc1ccc(C=O)s1 PI-35909 [1,0,0,0,1,0|2,0,0]=4 1679 B8R1.1 C1=C(OC(=C1)I)C=O PI-31133 [1,0,0,0,1,0|2,0,0]=4 1680 B8R1.1 C1=C(SC(=C1)Cl)C=O PI-30886 [1,0,0,0,1,0|2,0,0]=4 1681 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [1,0,0,0,1,0|1,0,0]=3 1682 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [1,0,0,0,1,0|1,0,0]=3 1683 B8R1.1 CC1=NC(=CS1)C=O PI-39568 [1,0,0,0,1,0|2,0,0]=4 1684 B8R1.1 C[N]1C=CC(=N1)C=O PI-39712 [1,0,0,0,1,0|2,0,0]=4 1685 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [1,0,0,0,1,0|1,0,0]=3 1686 B8R1.1 Cn1cc(nc1)C=O PI-39321 [1,0,0,0,1,0|2,0,0]=4 1687 B8R1.1 O=CC1=CN=C(C)S1 PI-39711 [1,0,0,0,1,0|2,0,0]=4 1688 B8R1.1 O=Cc1cnn(c1)C PI-33835 [1,0,0,0,1,0|2,0,0]=4 1689 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [1,0,0,0,1,0|2,0,0]=4 1690 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [1,0,0,0,1,0|2,0,0]=4 1691 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [1,0,0,0,1,0|2,0,0]=4 1692 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [1,0,0,0,1,0|2,0,0]=4 1693 B8R1.7 C1=COC=C1C(=O)O PI-16502 [1,0,0,0,1,0|2,0,0]=4 1694 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [1,0,0,0,1,0|2,0,0]=4 1695 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [1,0,0,0,1,0|2,0,0]=4 1696 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [1,0,0,0,1,0|2,0,0]=4 1697 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,0,0,0,1,0|1,0,0]=3 1698 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [1,0,0,0,1,0|2,0,0]=4 1699 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [1,0,0,0,1,0|2,0,0]=4 1700 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [1,0,0,0,1,0|2,0,0]=4 1701 B8R1.7 CC(=O)c1cscc1 PI-16499 [1,0,0,0,1,0|1,0,0]=3 1702 B8R1.7 CC(=O)n1cncc1 PI-31807 [1,0,0,0,1,0|2,0,0]=4 1703 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [1,0,0,0,1,0|2,0,0]=4 1704 B8R1.7 ClC(=O)c1cscc1 PI-10762 [1,0,0,0,1,0|2,0,0]=4 1705 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [1,0,0,0,1,0|2,0,0]=4 1706 B8R1.7 OC(=O)c1cccs1 PI-38239 [1,0,0,0,1,0|2,0,0]=4 1707 B8R1.7 OC(=O)c1cscc1 PI-10764 [1,0,0,0,1,0|2,0,0]=4 1708 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [1,0,0,0,0,1|2,0,0]=4 1709 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,0,0,0,0,1|2,0,0]=4 1710 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,0,0,0,0,1|2,0,0]=4 1711 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,0,0,0,0,1|2,0,0]=4 1712 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,0,0,0,0,1|1,0,0]=3 1713 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,0,0,0,0,1|2,0,0]=4 1714 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,0,0,0,0,1|2,0,0]=4 1715 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,0,0,0,1|1,0,0]=3 1716 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,0,0,0,0,1|1,0,0]=3 1717 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,0,0,0,0,1|1,0,0]=3 1718 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,0,0,0,0,1|1,0,0]=3 1719 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [1,0,0,0,0,1|2,0,0]=4 1720 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,0,0,0,0,1|1,0,1]=4 1721 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,0,0,0,0,1|1,0,0]=3 1722 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [1,0,0,0,0,1|1,1,0]=4 1723 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,0,0,0,0,1|2,0,0]=4 1724 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,0,0,0,0,1|2,0,0]=4 1725 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [1,0,0,0,0,1|2,0,0]=4 1726 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [0,0,0,0,0,2|2,0,0]=4 1727 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [0,0,0,0,0,2|2,0,0]=4 1728 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [0,0,0,0,0,2|2,0,0]=4 1729 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [0,0,0,0,0,2|2,0,0]=4 1730 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [0,0,0,0,0,2|2,0,0]=4 1731 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [0,0,0,0,0,2|2,0,0]=4 1732 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl PI-48840 [0,0,0,0,0,2|2,0,0]=4 1733 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [0,0,0,0,0,2|2,0,0]=4 1734 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [0,0,0,0,0,2|2,0,0]=4 1735 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [0,0,0,0,0,2|2,0,0]=4 1736 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [0,0,0,0,0,2|2,0,0]=4 1737 B12R1.21 C1=CC(=CC=C1OCC(=O)[O-])Cl PI-48839 [0,0,0,0,0,2|2,0,0]=4 1738 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [0,0,0,0,0,2|1,0,0]=3 1739 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [0,0,0,0,0,2|1,0,0]=3 1740 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [0,0,0,0,0,2|1,0,0]=3 1741 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,0,0,0,0,2|1,0,0]=3 1742 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [0,0,0,0,0,2|1,0,0]=3 1743 B12R1.21 Cc1ccc(\C=C\[N+](=O)[O-])cc1 PI-24460 [0,0,0,0,0,2|2,0,0]=4 1744 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [0,0,0,0,0,2|2,0,0]=4 1745 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,0,0,0,0,2|2,0,0]=4 1746 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [0,0,0,0,0,2|1,0,0]=3 1747 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [0,0,0,0,0,2|2,0,0]=4 1748 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [0,0,0,0,0,2|2,0,0]=4 1749 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [0,0,0,0,0,2|1,0,0]=3 1750 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [0,0,0,0,0,2|2,0,0]=4 1751 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [0,0,0,0,0,2|2,0,0]=4 1752 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [0,0,0,0,0,2|2,0,0]=4