0 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O PI-25960 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-25874 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-30837 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.113 B(C1=CC(=CC=C1)O)(O)O PI-25936 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.113 B(C1=CC(=CN=C1)Br)(O)O PI-25584 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.113 B(C1=CC(=CN=C1)C)(O)O PI-25250 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.113 B(C1=CC(=NC=C1)Cl)(O)O PI-25586 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.113 B(C1=NC(=CC=C1)Br)(O)O PI-33786 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.113 B(C1=NC=CC(=C1)C)(O)O PI-25498 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.113 Brc1nccc(c1)[N+](=O)[O-] PI-31784 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [0,0,0,0,0,0|2,1,0]=3 24 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F PI-21635 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [0,0,0,0,0,0|2,1,0]=3 29 B10R1.113 C1=CC(=CC(=C1)Cl)C(Cl)Cl PI-19154 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,0,0,0,0,0|1,0,0]=1 32 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,0,0,0,0,0|1,0,1]=2 33 B10R1.113 C1=CC(=CC(=C1)F)C(Cl)Cl PI-19546 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=S)N PI-17387 [0,0,0,0,0,0|2,1,1]=4 36 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.113 C1=CN=C(C=C1F)[N+](=O)[O-] PI-34880 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,0,0,0,0,0|1,0,1]=2 45 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [0,0,0,0,0,0|1,0,1]=2 46 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.113 CC1=NC(=CC=C1)[N+](=O)[O-] PI-28224 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.113 Cc1cccc(n1)B(O)O PI-25500 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.113 Clc1cccc(c1)B(O)O PI-11573 [0,0,0,0,0,0|2,0,1]=3 70 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.113 Clc1cncc(c1)B(O)O PI-25937 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.113 Clc1nccc(c1)[N+](=O)[O-] PI-10054 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.113 Fc1cccc(c1)B(O)O PI-23443 [0,0,0,0,0,0|2,0,1]=3 77 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [0,0,0,0,0,0|2,0,1]=3 79 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.113 Fc1nccc(c1)B(O)O PI-25543 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [0,0,0,0,0,0|2,0,0]=2 82 B10R1.113 Fc1nccc(c1)[N+](=O)[O-] PI-24189 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,0,0,0,0,0|1,0,0]=1 84 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [0,0,0,0,0,0|1,1,0]=2 87 B10R1.113 Nc1cccc(c1)B(O)O PI-16837 [0,0,0,0,0,0|2,0,1]=3 88 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,0,0,0,0,0|2,0,0]=2 92 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,0,0,0,0,0|1,0,1]=2 93 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.113 O=[N+](C1=CC=CC(Br)=N1)[O-] PI-37150 [0,0,0,0,0,0|3,0,1]=4 95 B10R1.113 O=[N+](C1=CC=CC(Cl)=N1)[O-] PI-37415 [0,0,0,0,0,0|3,0,1]=4 96 B10R1.113 O=[N+](C1=CN=CC(Br)=C1)[O-] PI-37100 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.113 OC(=O)c1cc(Cl)nnc1 PI-38264 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,0,0,0,0,0|1,0,0]=1 99 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,0,0,0,0,0|1,0,0]=1 100 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,0,0,0,0,0|1,0,0]=1 101 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,0,0,0,0,0|0,0,0]=0 102 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [0,0,0,0,0,0|1,0,1]=2 103 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,0,0,0,0,0|1,0,0]=1 104 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [0,0,0,0,0,0|2,0,0]=2 105 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [0,0,0,0,0,0|2,1,0]=3 106 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [0,0,0,0,0,0|3,1,0]=4 107 B10R1.113 [O-][N+](=O)c1cc(C)ccn1 PI-28226 [0,0,0,0,0,0|3,0,1]=4 108 B9R1.2 BrCc1cccc(I)c1 PI-29628 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.2 BrCc1cccc(c1)Br PI-13393 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.2 C1=C(C=NC=C1Br)CO PI-47170 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [1,0,0,0,0,0|1,0,1]=3 121 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [1,0,0,0,0,0|1,0,1]=3 126 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,0,0,0,0,0|1,0,0]=2 129 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [1,0,0,0,0,0|1,0,1]=3 130 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [1,0,0,0,0,0|1,0,1]=3 131 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [1,0,0,0,0,0|0,0,1]=2 132 B9R1.2 C1=CC(=NC(=C1)Br)C=O PI-21494 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.2 C1=CN=C(C=C1CO)Br PI-27098 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.2 C1=CN=C(C=C1CO)F PI-44971 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.2 C=Cc1cccc(c1)C PI-40767 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,0,0,0,0,0|1,0,0]=2 142 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.2 CNc1cccc(c1)F PI-29299 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [1,0,0,0,0,0|2,1,0]=4 150 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.2 COc1cccc(c1)O PI-34658 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.2 CSc1cccc(c1)N PI-11908 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.2 Clc1cccc(c1)C#N PI-31301 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.2 N#Cc1cccc(c1)I PI-10114 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.2 N#Cc1ccnc(O)c1 PI-20781 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.2 NCc1cccc(c1)Br PI-21372 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.2 NCc1cccc(c1)Br PI-38545 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.2 NCc1cccc(c1)F PI-23480 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.2 NNc1cccc(c1)Br PI-29422 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.2 NNc1cccc(c1)C PI-29814 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,0,0,0,0,0|1,0,0]=2 169 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,0,0,0,0,0|1,0,0]=2 170 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,0,0,0,0,0|1,0,0]=2 171 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,0,0,0,0,0|1,0,0]=2 172 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,0,0,0,0,0|0,0,0]=1 173 B9R1.2 O=Cc1ccnc(C)n1 PI-33598 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.2 O=Cc1ccnc(c1)Br PI-27099 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.2 O=Cc1ccnc(c1)Cl PI-31791 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.2 OCC1=CC(N)=CN=C1 PI-35898 [1,0,0,0,0,0|2,0,1]=4 178 B9R1.2 OCc1cccc(c1)C PI-38620 [1,0,0,0,0,0|1,0,1]=3 179 B9R1.2 OCc1cccc(c1)Cl PI-11919 [1,0,0,0,0,0|1,0,1]=3 180 B9R1.2 SCc1cccc(F)c1 PI-23495 [1,0,0,0,0,0|1,1,1]=4 181 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [1,0,0,0,0,0|2,1,0]=4 187 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,0,0,0,0,0|1,0,0]=2 189 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [1,0,0,0,0,0|1,0,0]=2 191 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [1,0,0,0,0,0|2,1,0]=4 196 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.6 CC(=O)c1cccnc1 PI-32250 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.6 CC(=O)c1ccncc1 PI-38297 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,0,0|1,0,1]=3 207 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,0,0|1,0,1]=3 214 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,0,0|2,1,0]=4 215 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.6 NC(=N)c1ccccn1 PI-30669 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.6 NC(=O)c1cccnc1 PI-12870 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,0,0,0,0|1,1,0]=3 222 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,0,0,0,0,0|1,0,1]=3 224 B9R1.6 OB(c1ccccn1)O PI-25302 [1,0,0,0,0,0|2,0,1]=4 225 B9R1.6 OB(c1ccncc1)O PI-16484 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.6 OC(=O)c1cccnc1 PI-15824 [1,0,0,0,0,0|1,0,0]=2 227 B9R1.6 OC(=O)c1ccncn1 PI-32629 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [1,0,0,0,0,0|1,0,1]=3 229 B11R1.21 B(C1=CC(=C(C=C1)Br)F)(O)O PI-14427 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.21 B(C1=CC(=C(C=C1)C)C)(O)O PI-25668 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.21 B(C1=CC(=C(C=C1)C)Cl)(O)O PI-25257 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.21 B(C1=CC(=C(C=C1)C)F)(O)O PI-25232 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.21 B(C1=CC(=C(C=C1)C)N)(O)O PI-25361 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.21 B(C1=CC(=C(C=C1)Cl)C)(O)O PI-20170 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.21 B(C1=CC(=C(C=C1)F)Cl)(O)O PI-16842 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.21 B(C1=CC(=C(C=C1)O)C)(O)O PI-49991 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.21 B(C1=CC(=C(C=C1)O)Cl)(O)O PI-49917 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.21 B(C1=CC(=C(C=C1)O)F)(O)O PI-49906 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Cl PI-16724 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.21 C1=C(C=NC(=C1Br)F)C(=O)O PI-36514 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O PI-16262 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1F)C PI-16887 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Br)F PI-14433 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F PI-34234 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)F)F PI-32220 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.21 C1=CC(=C(C=C1C(=O)N)O)O PI-11250 [0,1,0,0,0,0|1,0,0]=2 251 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [0,1,0,0,0,0|1,0,0]=2 256 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [0,1,0,0,0,0|1,0,0]=2 259 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [0,1,0,0,0,0|0,0,0]=1 260 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [0,1,0,0,0,0|0,0,0]=1 261 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [0,1,0,0,0,0|0,0,0]=1 262 B11R1.21 C1=CC(=C(C=C1C(=S)N)Cl)F PI-17455 [0,1,0,0,0,0|2,1,0]=4 263 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Br)Cl PI-14393 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)F PI-16935 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)I PI-19561 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)Br PI-34345 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)Cl PI-10723 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)I PI-10724 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])I)O PI-29966 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)Br PI-24032 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)Cl PI-32426 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)F PI-16945 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)N PI-30685 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])O)Cl PI-28691 [0,1,0,0,0,0|1,0,1]=3 275 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [0,1,0,0,0,0|1,0,0]=2 286 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F PI-23735 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,1,0,0,0,0|1,0,0]=2 297 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,1,0,0,0,0|0,0,0]=1 298 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-34331 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I PI-26904 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O PI-28629 [0,1,0,0,0,0|1,0,1]=3 301 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F PI-23750 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)Br PI-30206 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N PI-35808 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,1,0,0,0,0|1,0,0]=2 307 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])Br PI-22210 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])F PI-31201 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])I PI-26715 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])O PI-42105 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O PI-11485 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.21 NC(=N)c1ccc(c(c1)N)N PI-38924 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.21 Nc1ccc(cc1F)[N+]([O-])=O PI-34505 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.21 O=C(N)C1=CC=C(F)C(C)=C1 PI-23732 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.21 O=C(N)C1=CC=C(F)C(Cl)=C1 PI-20058 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.21 O=C(N)C1=CC=C(F)C(F)=C1 PI-30958 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 PI-28135 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.21 OB(c1ccc(c(c1)C)F)O PI-16844 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.21 OB(c1ccc(c(c1)Cl)Cl)O PI-14297 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.21 OB(c1ccc(c(c1)F)F)O PI-16839 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [0,1,0,0,0,0|1,0,0]=2 326 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,1,0,0,0,0|1,0,0]=2 327 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [0,1,0,0,0,0|1,0,0]=2 328 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [0,1,0,0,0,0|1,0,0]=2 330 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [0,1,0,0,0,0|0,0,0]=1 331 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [0,1,0,0,0,0|1,0,0]=2 335 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [0,1,0,0,0,0|1,0,0]=2 337 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [0,1,0,0,0,0|0,0,0]=1 339 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [0,1,0,0,0,0|0,1,0]=2 340 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.21 OC(=O)c1cnc(c(c1)Br)Cl PI-34711 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.21 [O-][N+](=O)c1ccc(Cl)c(C)c1 PI-32802 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.21 [O-][N+](=O)c1ccc(F)c(F)c1 PI-16944 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.21 [O-][N+](=O)c1ccc(O)c(Br)c1 PI-29720 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.21 [O-][N+](=O)c1ccc(O)c(F)c1 PI-28507 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Br)C PI-11805 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Br)F PI-21469 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Cl)N PI-32574 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Cl)O PI-29782 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.21 [O-][N+](=O)c1ccc(c(c1)N)O PI-26997 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.21 [O-][N+](=O)c1ccc(c(c1)O)Br PI-38213 [0,1,0,0,0,0|1,0,1]=3 354 B11R1.21 [O-][N+](=O)c1ccc(c(c1)O)F PI-34727 [0,1,0,0,0,0|1,0,1]=3 355 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [0,1,0,0,0,0|0,0,0]=1 357 B11R1.23 C1=C(C=NC=C1Br)C(=O)NN PI-50341 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.23 C1=CC(=CC(=C1)Br)C(=O)NN PI-20531 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN PI-23137 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN PI-23455 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN PI-50336 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.23 C1=CC(=CC(=C1)N)C(=O)NN PI-30136 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [0,1,0,0,0,0|1,0,1]=3 368 B11R1.23 C1=CN=C(C=C1C(=O)NN)N PI-30745 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.23 CC1=CC(=CC=C1)C(=NO)N PI-19541 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,1,0,0,0,0|1,0,0]=2 372 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,1,0,0,0,0|1,0,0]=2 374 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.23 CNC(=O)C1=CC(=CC=C1)N PI-17436 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.23 CNC(=O)c1cc(Cl)ccn1 PI-35278 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [0,1,0,0,0,0|1,0,0]=2 378 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,1,0,0,0,0|1,0,0]=2 380 B11R1.23 COC(=O)C1=CC(=NC=C1)Cl PI-35024 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.23 COC(=O)C1=CN=CC(=N1)Br PI-50062 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.23 COC(=O)C1=NC(=CC=C1)Cl PI-35288 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.23 COC(=O)C1=NC(=NC=C1)Cl PI-42080 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.23 COC(=O)c1cc(Cl)ccn1 PI-34710 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.23 COC(=O)c1cc(I)ccn1 PI-38432 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PI-38426 [0,1,0,0,0,0|1,0,1]=3 387 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.23 COC(=O)c1cccc(n1)Br PI-38915 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.23 COC(=O)c1ccnc(c1)Br PI-39300 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.23 COC(=O)c1ccnc(c1)N PI-27027 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.23 COC(=O)c1cncc(Br)c1 PI-22189 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.23 COC(=O)c1cnnc(c1)Cl PI-38433 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 PI-46646 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.74 B(C1=CC(=CC(=C1)Br)C)(O)O PI-19936 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.74 B(C1=CC(=CC(=C1)Br)Cl)(O)O PI-49933 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.74 B(C1=CC(=CC(=C1)Cl)Cl)(O)O PI-30843 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.74 B(C1=CC(=CC(=C1)F)C)(O)O PI-19946 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.74 B(C1=CC(=CC(=C1)F)F)(O)O PI-16838 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.74 B(C1=CC(=CC(=C1)F)O)(O)O PI-49940 [0,1,0,0,0,0|1,0,1]=3 401 B11R1.74 Brc1cc(Br)cc(c1)B(O)O PI-30086 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.74 C1=C(C=C(C=C1Br)Br)C(=O)N PI-20958 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.74 C1=C(C=C(C=C1Br)I)C(=O)O PI-21371 [0,1,0,0,0,0|1,0,0]=2 404 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=N)N PI-30342 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)Cl PI-11893 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)N PI-21002 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O PI-11891 [0,1,0,0,0,0|1,0,0]=2 408 B11R1.74 C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-] PI-10896 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O PI-16064 [0,1,0,0,0,0|1,0,0]=2 410 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)Cl PI-31045 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)N PI-21127 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.74 C1=C(C=C(C=C1N)N)C(=O)O PI-33050 [0,1,0,0,0,0|1,0,0]=2 413 B11R1.74 C1=C(C=C(C=C1O)Br)C(=O)O PI-47172 [0,1,0,0,0,0|0,0,0]=1 414 B11R1.74 C1=C(C=C(C=C1O)Cl)C(=O)O PI-47171 [0,1,0,0,0,0|0,0,0]=1 415 B11R1.74 C1=C(C=C(N=C1C(=O)O)Cl)Cl PI-50621 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O PI-41126 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.74 CC(=O)C1=CC(=CC(=C1)Br)Br PI-40368 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O PI-16883 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O PI-11032 [0,1,0,0,0,0|1,0,0]=2 421 B11R1.74 CC1=CC(=CC(=C1)Br)[N+](=O)[O-] PI-19674 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.74 CC1=CC(=CC(=C1)Cl)[N+](=O)[O-] PI-34391 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.74 CC1=CC(=CC(=C1)F)[N+](=O)[O-] PI-10680 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)Cl PI-20177 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)O PI-49440 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.74 Cc1cc(C)cc(c1)B(O)O PI-25243 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.74 Cc1cc(C)cc(c1)C(=O)C PI-30691 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,1,0,0,0,0|1,0,0]=2 429 B11R1.74 Cc1cc(C)cc(c1)[N+](=O)[O-] PI-34009 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,1,0,0,0,0|1,0,0]=2 431 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,1,0,0,0,0|0,0,0]=1 432 B11R1.74 Clc1cc(Br)cc(c1)C(=O)O PI-35805 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.74 Fc1cc(Br)cc(c1)[N+](=O)[O-] PI-39135 [0,1,0,0,0,0|2,0,1]=4 434 B11R1.74 Fc1cc(F)cc(c1)C(=O)O PI-10428 [0,1,0,0,0,0|1,0,0]=2 435 B11R1.74 Fc1cc(F)cc(c1)[N+](=O)[O-] PI-31112 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.74 Ic1cc(I)cc(c1)C(=O)O PI-36327 [0,1,0,0,0,0|1,0,0]=2 437 B11R1.74 Nc1cc(F)cc(c1)[N+](=O)[O-] PI-28007 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.74 Nc1cc(cc(c1)N)[N+](=O)[O-] PI-30659 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.74 OC(=O)c1cc(Br)cc(c1)Br PI-20961 [0,1,0,0,0,0|1,0,0]=2 440 B11R1.74 OC(=O)c1cc(Cl)nc(c1)Cl PI-16190 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.74 Oc1cc(O)cc(c1)C(=O)O PI-33401 [0,1,0,0,0,0|0,0,0]=1 442 B11R1.155 C1=CC(=CC(=C1)Br)S(=O)(=O)Cl PI-14386 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.155 C1=CC(=CC(=C1)O)C(F)(F)F PI-15309 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.155 C1=CC(=CC(=C1)S(=O)(=O)Cl)F PI-23453 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.155 C1=CC(=CC(=C1)S(=O)(=O)N)F PI-23447 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.155 CC(C)(C)C1=CC(=CC=C1)O PI-31950 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PI-22517 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.155 Cc1cccc(c1)S(=O)(=O)Cl PI-24195 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.155 O=S(C1=CC=CC(Br)=C1)(N)=O PI-35263 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.159 B(C1=C(C(=CC=C1)Cl)C)(O)O PI-19429 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.159 B(C1=C(C(=CC=C1)Cl)Cl)(O)O PI-33003 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.159 B(C1=C(C(=CC=C1)Cl)F)(O)O PI-25475 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.159 B(C1=C(C(=CC=C1)F)Cl)(O)O PI-48731 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.159 C1=CC(=C(C(=C1)Br)Cl)[N+](=O)[O-] PI-50751 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [0,1,0,0,0,0|1,0,0]=2 456 B11R1.159 C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-] PI-50063 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl PI-11727 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=S)N PI-30957 [0,1,0,0,0,0|2,1,0]=4 459 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)Cl PI-20070 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O PI-16070 [0,1,0,0,0,0|1,0,0]=2 461 B11R1.159 C1=CC(=C(C(=C1)Cl)F)[N+](=O)[O-] PI-20103 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.159 C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-] PI-29914 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.159 C1=CC(=C(C(=C1)Cl)O)[N+](=O)[O-] PI-28675 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.159 C1=CC(=C(C(=C1)F)Cl)[N+](=O)[O-] PI-28271 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)Cl PI-21145 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)N PI-21125 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [0,1,0,0,0,0|1,0,0]=2 469 B11R1.159 C1=CC(=C(C(=C1)F)F)[N+](=O)[O-] PI-28760 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.159 C1=CC(=C(C(=C1)F)I)[N+](=O)[O-] PI-10726 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [0,1,0,0,0,0|1,0,0]=2 472 B11R1.159 C1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PI-28174 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.159 C1=CC(=C(C(=C1)N)F)C(=O)O PI-34457 [0,1,0,0,0,0|1,0,0]=2 474 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)N PI-48121 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [0,1,0,0,0,0|1,0,0]=2 476 B11R1.159 C1=CC(=C(C(=C1)N)O)C(=O)O PI-14096 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.159 C1=CC(=C(C(=C1)O)Cl)[N+](=O)[O-] PI-34746 [0,1,0,0,0,0|1,0,1]=3 478 B11R1.159 C1=CC(=C(C(=C1)O)F)[N+](=O)[O-] PI-34808 [0,1,0,0,0,0|1,0,1]=3 479 B11R1.159 C1=CC(=C(C(=C1)O)N)[N+](=O)[O-] PI-11463 [0,1,0,0,0,0|1,0,1]=3 480 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O PI-16110 [0,1,0,0,0,0|0,0,0]=1 481 B11R1.159 CC(=O)C1=C(C(=CC=C1)Cl)Cl PI-20997 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [0,1,0,0,0,0|1,0,0]=2 484 B11R1.159 CC(=O)c1cccc(Br)c1F PI-34270 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.159 CC(=O)c1cccc(c1F)F PI-21122 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.159 CC1=C(C(=CC=C1)C(=O)Cl)C PI-21939 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,1,0,0,0,0|1,0,0]=2 492 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [0,1,0,0,0,0|1,0,0]=2 493 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [0,1,0,0,0,0|1,0,0]=2 495 B11R1.159 CC1=C(C(=CC=C1)[N+](=O)[O-])O PI-28104 [0,1,0,0,0,0|2,0,1]=4 496 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.159 CC1=C(C=CC=C1Br)[N+](=O)[O-] PI-26737 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.159 CC1=C(C=CC=C1Cl)[N+](=O)[O-] PI-34382 [0,1,0,0,0,0|2,0,1]=4 499 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [0,1,0,0,0,0|0,0,0]=1 500 B11R1.159 CC1=C(C=CC=C1O)[N+](=O)[O-] PI-31225 [0,1,0,0,0,0|1,0,1]=3 501 B11R1.159 CC1=C(C=CC=C1[N+](=O)[O-])N PI-31240 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.159 CC1=C(N=CN=C1Cl)C(=O)O PI-36441 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.159 ClC(=O)c1cccc(c1C)Br PI-39385 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.159 ClC1=NC=CC(=C1F)C(=O)O PI-34444 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.159 Fc1cccc(B(O)O)c1F PI-28087 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.159 NC(=O)c1cccc(c1F)Cl PI-30045 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.159 O=C(N)C1=CC=CC(C)=C1C PI-30715 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [0,1,0,0,0,0|1,0,0]=2 509 B11R1.159 O=C(O)C1=CC=NC(Br)=C1F PI-39723 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.159 OB(C1=CC=CC(C)=C1C)O PI-25274 [0,1,0,0,0,0|2,0,1]=4 511 B11R1.159 OB(c1cccc(c1C)F)O PI-19177 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [0,1,0,0,0,0|1,0,0]=2 513 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [0,1,0,0,0,0|1,0,0]=2 514 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [0,1,0,0,0,0|1,0,0]=2 515 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [0,1,0,0,0,0|1,0,0]=2 516 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [0,1,0,0,0,0|0,0,0]=1 517 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.159 OC(=O)c1cccc(c1F)Br PI-10188 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [0,1,0,0,0,0|1,0,0]=2 520 B11R1.159 OC(=O)c1ccnc(c1N)Cl PI-38953 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.159 [O-][N+](=O)c1cccc(C)c1F PI-10679 [0,1,0,0,0,0|2,0,1]=4 522 B11R1.159 [O-][N+](=O)c1cccc(F)c1C PI-32534 [0,1,0,0,0,0|2,0,1]=4 523 B11R1.159 [O-][N+](=O)c1cccc(F)c1N PI-29258 [0,1,0,0,0,0|2,0,1]=4 524 B11R1.159 [O-][N+](=O)c1cccc(O)c1Br PI-33349 [0,1,0,0,0,0|1,0,1]=3 525 B11R1.159 [O-][N+](=O)c1cccc(c1Br)C PI-26622 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.159 [O-][N+](=O)c1cccc(c1Br)F PI-10720 [0,1,0,0,0,0|2,0,1]=4 527 B11R1.159 [O-][N+](=O)c1cccc(c1Cl)C PI-27556 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.159 [O-][N+](=O)c1cccc(c1F)Br PI-35228 [0,1,0,0,0,0|2,0,1]=4 529 B11R1.159 [O-][N+](=O)c1cccc(c1N)C PI-27717 [0,1,0,0,0,0|2,0,1]=4 530 B11R1.159 [O-][N+](=O)c1cccc(c1N)N PI-30539 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.159 [O-][N+](=O)c1cccc(c1O)Br PI-27135 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.167 B(C1=C(C=CC(=C1)Cl)C)(O)O PI-19142 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.167 B(C1=C(C=CC(=C1)F)C)(O)O PI-25223 [0,1,0,0,0,0|2,0,1]=4 534 B11R1.167 B(C1=C(C=CC(=C1)F)Cl)(O)O PI-40463 [0,1,0,0,0,0|2,0,1]=4 535 B11R1.167 B(C1=C(C=CC(=C1)F)F)(O)O PI-28247 [0,1,0,0,0,0|2,0,1]=4 536 B11R1.167 B(C1=C(C=CC(=C1)O)F)(O)O PI-49982 [0,1,0,0,0,0|1,0,1]=3 537 B11R1.167 Brc1ccc(Cl)c(c1)C(=O)Cl PI-20620 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [0,1,0,0,0,0|1,0,0]=2 539 B11R1.167 Brc1ccc(c(c1)C(=O)Cl)C PI-39383 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [0,1,0,0,0,0|1,0,0]=2 541 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [0,1,0,0,0,0|1,0,0]=2 542 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [0,1,0,0,0,0|1,0,0]=2 543 B11R1.167 Brc1ccc(c(c1)[N+](=O)[O-])Cl PI-38903 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.167 Brc1ccc(c(c1)[N+](=O)[O-])N PI-11964 [0,1,0,0,0,0|2,0,1]=4 545 B11R1.167 Brc1cnc(N)c(c1)C(=O)O PI-22190 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.167 C1=C(C(=NN=C1Cl)Cl)C(=O)O PI-41119 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O PI-12916 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.167 C1=C(C(=O)NC=C1Cl)C(=O)O PI-30553 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.167 C1=C(C=NC(=C1C(=O)O)Cl)Br PI-24300 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O PI-12030 [0,1,0,0,0,0|2,0,0]=3 551 B11R1.167 C1=C(N=C(C(=N1)Br)C(=O)O)Br PI-45629 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.167 C1=C(N=C(C(=N1)N)C(=O)O)Br PI-41222 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [0,1,0,0,0,0|1,0,0]=2 554 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [0,1,0,0,0,0|1,0,0]=2 555 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])Br PI-50761 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])F PI-16938 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])O PI-13653 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)Cl)F PI-28486 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)Cl PI-30757 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)N PI-30674 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [0,1,0,0,0,0|1,0,0]=2 562 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [0,1,0,0,0,0|1,0,0]=2 563 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [0,1,0,0,0,0|1,0,0]=2 564 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,1,0,0,0,0|1,0,0]=2 565 B11R1.167 C1=CC(=C(C=C1Cl)[N+](=O)[O-])F PI-20104 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Br PI-28051 [0,1,0,0,0,0|2,0,0]=3 567 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Cl PI-34138 [0,1,0,0,0,0|2,0,0]=3 568 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)Cl PI-28878 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)F PI-21126 [0,1,0,0,0,0|2,0,0]=3 570 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)N PI-31251 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [0,1,0,0,0,0|1,0,0]=2 572 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])Br PI-10721 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])Cl PI-28414 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])I PI-10727 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])N PI-28444 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])O PI-31180 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [0,1,0,0,0,0|1,0,0]=2 579 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [0,1,0,0,0,0|1,0,0]=2 580 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [0,1,0,0,0,0|1,0,0]=2 581 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,1,0,0,0,0|1,0,0]=2 582 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])Br PI-29667 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])F PI-11983 [0,1,0,0,0,0|2,0,1]=4 584 B11R1.167 C1=CC(=C(C=C1O)[N+](=O)[O-])Cl PI-29756 [0,1,0,0,0,0|1,0,1]=3 585 B11R1.167 C1=CC(=C(C=C1O)[N+](=O)[O-])I PI-29638 [0,1,0,0,0,0|1,0,1]=3 586 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.167 CC(=O)C1=C(N=CC(=C1)Br)F PI-48367 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,1,0,0,0,0|1,0,0]=2 597 B11R1.167 CC1=C(C=C(C=C1)Br)[N+](=O)[O-] PI-11598 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl PI-23751 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)N PI-23733 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.167 CC1=C(C=C(C=C1)F)[N+](=O)[O-] PI-16977 [0,1,0,0,0,0|2,0,1]=4 601 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,1,0,0,0,0|1,0,0]=2 602 B11R1.167 CC1=C(C=C(C=C1)I)[N+](=O)[O-] PI-26624 [0,1,0,0,0,0|2,0,1]=4 603 B11R1.167 CC1=C(C=C(C=C1)O)[N+](=O)[O-] PI-10544 [0,1,0,0,0,0|1,0,1]=3 604 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,1,0,0,0,0|1,0,0]=2 605 B11R1.167 CC1=CC(=C(C=C1)Br)[N+](=O)[O-] PI-22212 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,1,0,0,0,0|1,0,0]=2 608 B11R1.167 CC1=CC(=C(C=C1)C)[N+](=O)[O-] PI-13194 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,1,0,0,0,0|1,0,0]=2 610 B11R1.167 CC1=CC(=C(C=C1)Cl)[N+](=O)[O-] PI-34332 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,1,0,0,0,0|1,0,0]=2 613 B11R1.167 CC1=CC(=C(C=C1)F)[N+](=O)[O-] PI-10423 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,1,0,0,0,0|1,0,0]=2 615 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N PI-11516 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,1,0,0,0,0|1,0,0]=2 619 B11R1.167 Cc1ccc(C)c(c1)B(O)O PI-33619 [0,1,0,0,0,0|2,0,1]=4 620 B11R1.167 Cc1ccc(c(c1)B(O)O)Cl PI-19269 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.167 Cc1ccc(c(c1)B(O)O)F PI-19183 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,1,0,0,0,0|1,0,0]=2 623 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,1,0,0,0,0|1,0,0]=2 624 B11R1.167 Clc1ccc(N)c(c1)[N+](=O)[O-] PI-32440 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.167 Clc1ccc(c(c1)B(O)O)Cl PI-11580 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.167 Clc1ccc(c(c1)B(O)O)O PI-39030 [0,1,0,0,0,0|2,0,1]=4 627 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.167 Clc1ccc(c(c1)C(=O)Cl)Cl PI-12081 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.167 Clc1ccc(c(c1)[N+](=O)[O-])C PI-31778 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.167 Clc1ccc(c(n1)C(=O)O)C PI-39087 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.167 Clc1ccc(c(n1)C(=O)O)Cl PI-16736 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.167 Clc1ncc(c(c1)C(=O)O)Br PI-36973 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.167 Clc1ncc(c(c1)C(=O)O)Cl PI-38193 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [0,1,0,0,0,0|1,0,0]=2 636 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [0,1,0,0,0,0|1,0,0]=2 637 B11R1.167 Fc1ccc(c(c1)C(=O)Cl)F PI-28434 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,1,0,0,0,0|1,0,0]=2 639 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [0,1,0,0,0,0|1,0,0]=2 640 B11R1.167 Fc1ccc(c(c1)[N+](=O)[O-])F PI-32232 [0,1,0,0,0,0|2,0,1]=4 641 B11R1.167 Fc1ncc(c(c1)C(=O)O)N PI-32204 [0,1,0,0,0,0|2,0,0]=3 642 B11R1.167 IC1=CC=C(Br)C([N+]([O-])=O)=C1 PI-46833 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [0,1,0,0,0,0|1,0,0]=2 644 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.167 Ic1ccc(c(c1)[N+](=O)[O-])N PI-39062 [0,1,0,0,0,0|2,0,1]=4 646 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [0,1,0,0,0,0|1,0,0]=2 647 B11R1.167 NC1=CC=C(N)C=C1[N+]([O-])=O PI-37805 [0,1,0,0,0,0|2,0,1]=4 648 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [0,1,0,0,0,0|0,0,0]=1 649 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [0,1,0,0,0,0|1,0,0]=2 650 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [0,1,0,0,0,0|1,0,0]=2 651 B11R1.167 Nc1ccc(c(c1)[N+](=O)[O-])O PI-28082 [0,1,0,0,0,0|2,0,1]=4 652 B11R1.167 O=C(N)C1=CC(Br)=CC=C1O PI-30813 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [0,1,0,0,0,0|1,0,0]=2 654 B11R1.167 O=C([O-])C1=CC(N)=CC=C1O PI-35671 [0,1,0,0,0,0|1,0,1]=3 655 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O PI-12846 [0,1,0,0,0,0|0,0,1]=2 656 B11R1.167 OB(C1=CC(Cl)=CC=C1F)O PI-25476 [0,1,0,0,0,0|2,0,1]=4 657 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,1,0,0,0,0|1,0,0]=2 658 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [0,1,0,0,0,0|0,0,0]=1 659 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,1,0,0,0,0|0,0,0]=1 660 B11R1.167 Oc1ccc(c(c1)[N+](=O)[O-])F PI-13385 [0,1,0,0,0,0|1,0,1]=3 661 B11R1.167 Oc1ccc(c(c1)[N+](=O)[O-])N PI-31244 [0,1,0,0,0,0|1,0,1]=3 662 B11R1.266 B(C1=CC(=CC=C1)C=C)(O)O PI-25182 [0,1,0,0,0,0|2,0,1]=4 663 B11R1.266 B(C1=CC(=CC=C1)CBr)(O)O PI-14465 [0,1,0,0,0,0|2,0,1]=4 664 B11R1.266 B(C1=CC(=CC=C1)CN)(O)O PI-14109 [0,1,0,0,0,0|2,0,1]=4 665 B11R1.266 B(C1=CC(=CC=C1)CN)(O)O PI-25469 [0,1,0,0,0,0|2,0,1]=4 666 B11R1.266 B(C1=CC(=CC=C1)OC)(O)O PI-16835 [0,1,0,0,0,0|1,0,1]=3 667 B11R1.266 B(C1=CC(=CC=C1)SC)(O)O PI-11569 [0,1,0,0,0,0|1,1,1]=4 668 B11R1.266 B(C1=CC(=NC=C1)OC)(O)O PI-40454 [0,1,0,0,0,0|2,0,1]=4 669 B11R1.266 B(C1=NC(=CC=C1)OC)(O)O PI-25501 [0,1,0,0,0,0|2,0,1]=4 670 B11R1.266 C#Cc1cccc(c1)[N+](=O)[O-] PI-39183 [0,1,0,0,0,0|2,0,1]=4 671 B11R1.266 C1=CC(=CC(=C1)C(=N)N)C=O PI-30727 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.266 C1=CC(=CC(=C1)C(=O)Cl)CCl PI-35901 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N PI-16124 [0,1,0,0,0,0|1,0,0]=2 674 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [0,1,0,0,0,0|1,0,0]=2 675 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [0,1,0,0,0,0|1,0,0]=2 676 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [0,1,0,0,0,0|1,0,0]=2 677 B11R1.266 C1=CC(=CC(=C1)[N+](=O)[O-])CBr PI-10982 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.266 C1=CC(=CC(=C1)[N+](=O)[O-])CO PI-32226 [0,1,0,0,0,0|1,0,1]=3 679 B11R1.266 C1=CC(=CC(=C1)[N+](=O)[O-])NN PI-29813 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.266 C1=CN=C(C=C1[N+](=O)[O-])CO PI-45747 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.266 C=CC1=CC(=CC=C1)[N+](=O)[O-] PI-46939 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [0,1,0,0,0,0|1,0,0]=2 683 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [0,1,0,0,0,0|2,0,0]=3 684 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.266 CN(C)C1=CC(=CC=C1)OC PI-48688 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.266 CN(C)C1=CC=CC(=C1)CO PI-21930 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.266 COC1=CC(=NC=C1)C(=O)N PI-26971 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [0,1,0,0,0,0|1,0,0]=2 689 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl PI-50560 [0,1,0,0,0,0|1,0,0]=2 690 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,1,0,0,0,0|0,0,0]=1 691 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [0,1,0,0,0,0|1,0,0]=2 692 B11R1.266 COC1=CN=CC(=C1)C(=O)O PI-39997 [0,1,0,0,0,0|1,0,0]=2 693 B11R1.266 COC1=NC=CC(=C1)C(=O)O PI-28037 [0,1,0,0,0,0|1,0,0]=2 694 B11R1.266 COc1cccc(c1)C(=O)N PI-30738 [0,1,0,0,0,0|1,0,0]=2 695 B11R1.266 COc1cccc(c1)[N+](=O)[O-] PI-29700 [0,1,0,0,0,0|1,0,1]=3 696 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [0,1,0,0,0,0|1,0,0]=2 697 B11R1.266 CSc1nccc(n1)C(=O)O PI-36376 [0,1,0,0,0,0|2,1,0]=4 698 B11R1.266 ClCc1cccc(c1)[N+](=O)[O-] PI-26802 [0,1,0,0,0,0|2,0,1]=4 699 B11R1.266 N#Cc1cccc(c1)B(O)O PI-16427 [0,1,0,0,0,0|2,0,1]=4 700 B11R1.266 N#Cc1cccc(c1)C(=O)C PI-29763 [0,1,0,0,0,0|2,0,0]=3 701 B11R1.266 N#Cc1cccc(c1)[N+](=O)[O-] PI-11941 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.266 NCC1=CC=CC([N+]([O-])=O)=C1 PI-26356 [0,1,0,0,0,0|2,0,1]=4 703 B11R1.266 NCc1cccc(c1)C(=O)N PI-38245 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.266 O=Cc1cccc(c1)B(O)O PI-16428 [0,1,0,0,0,0|1,0,2]=4 705 B11R1.266 O=Cc1cccc(c1)C(=O)O PI-31248 [0,1,0,0,0,0|0,0,1]=2 706 B11R1.266 O=Cc1cccc(c1)[N+](=O)[O-] PI-34272 [0,1,0,0,0,0|1,0,2]=4 707 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [0,1,0,0,0,0|0,0,0]=1 708 B11R1.266 OCc1cccc(c1)B(O)O PI-10035 [0,1,0,0,0,0|1,0,1]=3 709 B11R2.35 C1C(O1)C2=CC(=CC=C2)Cl PI-35811 [0,0,0,1,0,0|2,0,1]=4 710 B11R2.35 Clc1cccc(c1)[C@@H]2CO2 PI-10846 [0,0,0,1,0,0|2,0,1]=4 711 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [0,0,0,0,1,0|2,0,0]=3 712 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [0,0,0,0,1,0|3,0,0]=4 713 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [0,0,0,0,1,0|3,0,0]=4 714 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [0,0,0,0,1,0|3,0,0]=4 715 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,0,0,0,1,0|3,0,0]=4 716 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,0,0,0,1,0|2,0,0]=3 717 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,0,0,0,1,0|2,0,0]=3 718 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [0,0,0,0,1,0|3,0,0]=4 719 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [0,0,0,0,1,0|3,0,0]=4 720 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,0,0,0,1,0|2,0,0]=3 721 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,0,0,0,1,0|2,0,0]=3 722 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [0,0,0,0,1,0|3,0,0]=4 723 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [0,0,0,0,1,0|3,0,0]=4 724 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [0,0,0,0,1,0|3,0,0]=4 725 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,0,0,0,1,0|3,0,0]=4 726 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [0,0,0,0,1,0|3,0,0]=4 727 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [0,0,0,0,1,0|3,0,0]=4 728 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,0,0,0,1,0|3,0,0]=4 729 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,0,0,0,1,0|3,0,0]=4 730 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,0,0,0,1,0|2,0,0]=3 731 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,0,0,0,1,0|3,0,0]=4 732 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,0,0,0,1,0|2,0,0]=3 733 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,0,0,0,1,0|2,0,0]=3 734 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,0,0,0,1,0|3,0,0]=4 735 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,0,0,0,1,0|3,0,0]=4 736 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [0,0,0,0,1,0|3,0,0]=4 737 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,0,0,0,1,0|3,0,0]=4 738 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,0,0,0,1,0|3,0,0]=4 739 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [0,0,0,0,1,0|2,0,0]=3 740 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,0,0,0,1,0|2,0,0]=3 741 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [0,0,0,0,1,0|2,0,0]=3 742 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,0,0,0,1,0|2,0,0]=3 743 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [0,0,0,0,1,0|3,0,0]=4 744 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [0,0,0,0,1,0|3,0,0]=4 745 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [0,0,0,0,1,0|3,0,0]=4 746 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [0,0,0,0,1,0|2,0,0]=3 747 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [0,0,0,0,1,0|3,0,0]=4 748 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,0,0,0,1,0|2,0,0]=3 749 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [0,0,0,0,1,0|3,0,0]=4 750 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [0,0,0,0,1,0|3,0,0]=4 751 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,0,0,0,1,0|2,0,0]=3 752 B9R1.41 C1=NNC(=C1C(=O)O)N PI-13600 [0,0,0,0,1,0|3,0,0]=4 753 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [0,0,0,0,1,0|3,0,0]=4 754 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [0,0,0,0,1,0|3,0,0]=4 755 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [0,0,0,0,1,0|3,0,0]=4 756 B9R1.41 CC1=C(C=NO1)C(=O)O PI-10238 [0,0,0,0,1,0|3,0,0]=4 757 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,0,0,0,1,0|2,0,0]=3 758 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [0,0,0,0,1,0|3,0,0]=4 759 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [0,0,0,0,1,0|3,0,0]=4 760 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [0,0,0,0,1,0|3,0,0]=4 761 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,0,0,0,1,0|2,0,0]=3 762 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [0,0,0,0,1,0|3,0,0]=4 763 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [0,0,0,0,1,0|3,0,0]=4 764 B9R1.41 Cn1cncc1C(=O)O PI-35821 [0,0,0,0,1,0|3,0,0]=4 765 B9R1.41 NC(=O)c1sccc1N PI-14136 [0,0,0,0,1,0|3,0,0]=4 766 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [0,0,0,0,1,0|2,0,0]=3 767 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [0,0,0,0,1,0|3,0,0]=4 768 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,0,0,0,1,0|2,0,0]=3 769 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,0,0,0,1,0|1,0,0]=2 770 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,0,0,0,0,1|1,0,0]=2 771 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,0,0,0,0,1|1,0,0]=2 772 B11R1.157 C1=CC(=CC(=C1)Cl)N=C(N)N PI-47259 [0,0,0,0,0,1|3,0,0]=4 773 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,0,0,0,0,1|1,0,0]=2 774 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,0,0,0,0,1|2,0,0]=3 775 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,0,0,0,0,1|2,0,0]=3 776 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,0,0,0,0,1|2,0,0]=3 777 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,0,0,0,0,1|2,0,0]=3 778 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,0,0,0,0,1|2,0,0]=3 779 B11R1.157 CC1=CC(=CC=C1)NC(=S)N PI-24525 [0,0,0,0,0,1|2,1,0]=4 780 B11R1.157 CC1=NC(=CC=C1)NC(=O)C PI-46994 [0,0,0,0,0,1|3,0,0]=4 781 B11R1.157 NC(=S)Nc1cccc(c1)Br PI-22566 [0,0,0,0,0,1|2,1,0]=4 782 B11R1.157 NC(=S)Nc1cccc(c1)Cl PI-40813 [0,0,0,0,0,1|2,1,0]=4 783 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,0,0,0,0,1|1,0,0]=2 784 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,0,0,0,0,1|1,0,0]=2 785 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,0,0,0,0,1|0,0,0]=1 786 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,1]=4 787 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|1,0,1]=4 788 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [2,0,0,0,0,0|2,0,0]=4 789 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|1,0,1]=4 790 B8R1.2 C1=CN=CN=C1C=O PI-34868 [2,0,0,0,0,0|2,0,0]=4 791 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|1,0,1]=4 792 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 793 B8R1.2 O=Cc1ccccn1 PI-33895 [2,0,0,0,0,0|1,0,0]=3 794 B8R1.2 O=Cc1cccnc1 PI-33908 [2,0,0,0,0,0|1,0,0]=3 795 B8R1.2 O=Cc1ccncc1 PI-13140 [2,0,0,0,0,0|1,0,0]=3 796 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|1,0,1]=4 797 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|1,0,1]=4 798 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|1,0,1]=4 799 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|1,0,0]=3 800 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|1,0,1]=4 801 B8R1.4 Brc1cc[nH]c(=O)c1 PI-38916 [2,0,0,0,0,0|2,0,0]=4 802 B8R1.4 Brc1cccc(I)c1 PI-21524 [2,0,0,0,0,0|2,0,0]=4 803 B8R1.4 Brc1cccc(c1)Br PI-11676 [2,0,0,0,0,0|2,0,0]=4 804 B8R1.4 C1=C(C=NC=C1Cl)O PI-40461 [2,0,0,0,0,0|2,0,0]=4 805 B8R1.4 C1=C(N=CNC1=O)O PI-15320 [2,0,0,0,0,0|2,0,0]=4 806 B8R1.4 C1=CC(=CC(=C1)Br)F PI-12279 [2,0,0,0,0,0|2,0,0]=4 807 B8R1.4 C1=CC(=CC(=C1)Br)S PI-15584 [2,0,0,0,0,0|1,1,0]=4 808 B8R1.4 C1=CC(=CC(=C1)F)O PI-16947 [2,0,0,0,0,0|1,0,0]=3 809 B8R1.4 C1=CC(=CC(=C1)I)F PI-12350 [2,0,0,0,0,0|2,0,0]=4 810 B8R1.4 C1=CC(=CC(=C1)I)N PI-41422 [2,0,0,0,0,0|2,0,0]=4 811 B8R1.4 C1=CC(=C[N+](=C1)[O-])O PI-13309 [2,0,0,0,0,0|1,0,1]=4 812 B8R1.4 C1=CC(=O)NC(=C1)N PI-28596 [2,0,0,0,0,0|2,0,0]=4 813 B8R1.4 C1=CC(=O)NC(=C1)O PI-11767 [2,0,0,0,0,0|1,0,0]=3 814 B8R1.4 C1=CNC(=CC1=O)Br PI-35008 [2,0,0,0,0,0|2,0,0]=4 815 B8R1.4 C1=CNC(=CC1=O)Cl PI-11015 [2,0,0,0,0,0|2,0,0]=4 816 B8R1.4 C1=CNC(=O)C=C1N PI-34824 [2,0,0,0,0,0|2,0,0]=4 817 B8R1.4 C1=CNC(=O)C=C1O PI-10171 [2,0,0,0,0,0|1,0,0]=3 818 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [2,0,0,0,0,0|1,0,1]=4 819 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [2,0,0,0,0,0|2,0,0]=4 820 B8R1.4 Clc1cccc(c1)I PI-39251 [2,0,0,0,0,0|2,0,0]=4 821 B8R1.4 FC1=CC(=CN=C1)O PI-40460 [2,0,0,0,0,0|2,0,0]=4 822 B8R1.4 Fc1cccc(Cl)c1 PI-33064 [2,0,0,0,0,0|2,0,0]=4 823 B8R1.4 Fc1cccc(c1)F PI-11677 [2,0,0,0,0,0|2,0,0]=4 824 B8R1.4 Fc1cccc(c1)S PI-16910 [2,0,0,0,0,0|1,1,0]=4 825 B8R1.4 Nc1cccc(F)c1 PI-16946 [2,0,0,0,0,0|2,0,0]=4 826 B8R1.4 Nc1cccc(S)c1 PI-21351 [2,0,0,0,0,0|1,1,0]=4 827 B8R1.4 O=C1C=CC=C(Cl)N1 PI-35283 [2,0,0,0,0,0|2,0,0]=4 828 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [2,0,0,0,0,0|1,0,1]=4 829 B8R1.4 Oc1cccc(c1)I PI-10955 [2,0,0,0,0,0|1,0,0]=3 830 B8R1.4 Oc1cccc(c1)S PI-21360 [2,0,0,0,0,0|0,1,0]=3 831 B8R1.4 Oc1ccnc(c1)N PI-34188 [2,0,0,0,0,0|2,0,0]=4 832 B8R1.4 Oc1cncc(c1)Br PI-27886 [2,0,0,0,0,0|2,0,0]=4 833 B8R1.4 Sc1cccc(Cl)c1 PI-11010 [2,0,0,0,0,0|1,1,0]=4 834 B10R1.2 C1=CC(=C(C(=C1)Br)O)C=O PI-27283 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C=O PI-28939 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O PI-28322 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.2 C1=CC(=C(C(=C1)F)F)CO PI-21147 [1,1,0,0,0,0|1,0,1]=4 838 B10R1.2 C1=CC(=C(C(=C1)F)O)C=O PI-18520 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.2 C1=CN=C(C(=C1C=O)Cl)Cl PI-41929 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.2 CC1=C(C(=CC=C1)C=O)C PI-10267 [1,1,0,0,0,0|1,0,0]=3 841 B10R1.2 CC1=C(C=CC=C1F)C=O PI-28157 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.2 CC1=C(C=CC=C1N)CO PI-44883 [1,1,0,0,0,0|1,0,1]=4 843 B10R1.2 CC1=C(C=CC=C1N)CO PI-44908 [1,1,0,0,0,0|1,0,1]=4 844 B10R1.2 COc1cccc(O)c1Br PI-34766 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.2 COc1cccc(c1N)O PI-38206 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.2 COc1cccc(c1O)O PI-19986 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.2 N#Cc1cccc(c1O)O PI-31955 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.2 O=CC1=CC=CC(F)=C1Br PI-28928 [1,1,0,0,0,0|1,0,0]=3 849 B10R1.2 O=CC1=CC=CC(F)=C1I PI-28940 [1,1,0,0,0,0|1,0,0]=3 850 B10R1.2 O=Cc1cccc(Br)c1F PI-36808 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.2 O=Cc1cccc(C)c1F PI-28944 [1,1,0,0,0,0|1,0,0]=3 852 B10R1.2 O=Cc1cccc(C)c1O PI-27937 [1,1,0,0,0,0|1,0,0]=3 853 B10R1.2 O=Cc1cccc(Cl)c1Cl PI-12552 [1,1,0,0,0,0|1,0,0]=3 854 B10R1.2 O=Cc1cccc(Cl)c1O PI-26254 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.2 O=Cc1cccc(O)c1O PI-21380 [1,1,0,0,0,0|0,0,0]=2 856 B10R1.2 O=Cc1cccc(c1F)Cl PI-28866 [1,1,0,0,0,0|1,0,0]=3 857 B10R1.8 C1=C(C=C(C=C1Br)Br)CO PI-30149 [1,1,0,0,0,0|1,0,1]=4 858 B10R1.8 C1=C(C=C(C=C1Br)I)C=O PI-26241 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.8 C1=C(C=C(C=C1Cl)Cl)C=O PI-11890 [1,1,0,0,0,0|1,0,0]=3 860 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CO PI-30760 [1,1,0,0,0,0|1,0,1]=4 861 B10R1.8 C1=C(C=C(C=C1F)Br)C=O PI-28238 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.8 C1=C(C=C(C=C1F)Cl)C=O PI-27970 [1,1,0,0,0,0|1,0,0]=3 863 B10R1.8 COc1cc(O)cc(c1)O PI-17720 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.8 IC1=CC(C=O)=CC(I)=C1 PI-26205 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.8 N#Cc1cc(O)cc(c1)Cl PI-39164 [1,1,0,0,0,0|1,0,1]=4 866 B10R1.8 O=Cc1cc(Br)cc(c1)Br PI-18696 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.8 O=Cc1cc(C)cc(F)c1 PI-28945 [1,1,0,0,0,0|1,0,0]=3 868 B10R1.8 O=Cc1cc(C)cc(c1)C PI-27730 [1,1,0,0,0,0|1,0,0]=3 869 B10R1.8 O=Cc1cc(Cl)cc(Br)c1 PI-26240 [1,1,0,0,0,0|1,0,0]=3 870 B10R1.8 O=Cc1cc(Cl)nc(c1)Cl PI-38198 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.8 O=Cc1cc(F)cc(c1)F PI-16921 [1,1,0,0,0,0|1,0,0]=3 872 B10R1.8 O=Cc1cc(O)cc(O)c1 PI-11898 [1,1,0,0,0,0|0,0,0]=2 873 B10R1.8 OC1=CC(C)=CC(OC)=C1 PI-20801 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.8 OCc1cc(Cl)cc(c1)Br PI-36975 [1,1,0,0,0,0|1,0,1]=4 875 B10R1.8 OCc1cc(F)cc(c1)F PI-31311 [1,1,0,0,0,0|1,0,1]=4 876 B10R1.8 OCc1cc(O)cc(O)c1 PI-31143 [1,1,0,0,0,0|0,0,1]=3 877 B10R1.10 C1=CC(=CC(=C1)Br)C=NO PI-27659 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.10 C1=CC(=CC(=C1)Cl)C=NO PI-27977 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.10 C1=CC(=CC(=C1)F)N=C=O PI-19552 [1,1,0,0,0,0|1,0,1]=4 880 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|1,0,1]=4 881 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|0,0,1]=3 882 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [1,1,0,0,0,0|1,0,1]=4 883 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [1,1,0,0,0,0|1,0,1]=4 885 B10R1.30 C1=CC(=C(C=C1Br)C=O)Br PI-27892 [1,1,0,0,0,0|1,0,0]=3 886 B10R1.30 C1=CC(=C(C=C1Br)C=O)Cl PI-33366 [1,1,0,0,0,0|1,0,0]=3 887 B10R1.30 C1=CC(=C(C=C1Br)C=O)F PI-31330 [1,1,0,0,0,0|1,0,0]=3 888 B10R1.30 C1=CC(=C(C=C1Br)C=O)O PI-29253 [1,1,0,0,0,0|1,0,0]=3 889 B10R1.30 C1=CC(=C(C=C1Br)CO)F PI-14437 [1,1,0,0,0,0|1,0,1]=4 890 B10R1.30 C1=CC(=C(C=C1Br)CO)N PI-46965 [1,1,0,0,0,0|1,0,1]=4 891 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Cl PI-16092 [1,1,0,0,0,0|1,0,0]=3 892 B10R1.30 C1=CC(=C(C=C1Cl)C=O)F PI-10455 [1,1,0,0,0,0|1,0,0]=3 893 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O PI-12029 [1,1,0,0,0,0|1,0,0]=3 894 B10R1.30 C1=CC(=C(C=C1Cl)CO)Cl PI-30501 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [1,1,0,0,0,0|1,0,1]=4 896 B10R1.30 C1=CC(=C(C=C1F)C=O)Br PI-28896 [1,1,0,0,0,0|1,0,0]=3 897 B10R1.30 C1=CC(=C(C=C1F)C=O)Cl PI-10456 [1,1,0,0,0,0|1,0,0]=3 898 B10R1.30 C1=CC(=C(C=C1F)C=O)N PI-44253 [1,1,0,0,0,0|1,0,0]=3 899 B10R1.30 C1=CC(=C(C=C1F)C=O)O PI-10579 [1,1,0,0,0,0|1,0,0]=3 900 B10R1.30 C1=CC(=C(C=C1F)CO)Br PI-42946 [1,1,0,0,0,0|1,0,1]=4 901 B10R1.30 C1=CC(=C(C=C1F)CO)F PI-33073 [1,1,0,0,0,0|1,0,1]=4 902 B10R1.30 C1=CC(=C(C=C1I)C=O)F PI-31572 [1,1,0,0,0,0|1,0,0]=3 903 B10R1.30 C1=CC(=C(C=C1I)C=O)O PI-27272 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.30 C1=CC(=C(C=C1I)CO)Br PI-41207 [1,1,0,0,0,0|1,0,1]=4 905 B10R1.30 CC1=C(C=C(C=C1)F)C=O PI-10582 [1,1,0,0,0,0|1,0,0]=3 906 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [1,1,0,0,0,0|1,0,0]=3 907 B10R1.30 CC1=CC(=C(C=C1)F)C=O PI-10457 [1,1,0,0,0,0|1,0,0]=3 908 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [1,1,0,0,0,0|1,0,1]=4 909 B10R1.30 N#Cc1cc(O)ccc1F PI-39223 [1,1,0,0,0,0|1,0,1]=4 910 B10R1.30 O=CC1=CC(Br)=CC=C1N PI-46730 [1,1,0,0,0,0|1,0,0]=3 911 B10R1.30 O=Cc1cc(Br)ccc1I PI-26850 [1,1,0,0,0,0|1,0,0]=3 912 B10R1.30 O=Cc1cc(Br)cnc1F PI-39542 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [1,1,0,0,0,0|1,0,0]=3 914 B10R1.30 O=Cc1cc(Cl)ccc1Br PI-33350 [1,1,0,0,0,0|1,0,0]=3 915 B10R1.30 O=Cc1cc(Cl)ccc1N PI-18302 [1,1,0,0,0,0|1,0,0]=3 916 B10R1.30 O=Cc1cc(Cl)cnc1Cl PI-39057 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.30 O=Cc1cc(F)ccc1F PI-10418 [1,1,0,0,0,0|1,0,0]=3 918 B10R1.30 O=Cc1cc(O)ccc1Br PI-27441 [1,1,0,0,0,0|0,0,0]=2 919 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [1,1,0,0,0,0|0,0,0]=2 920 B10R1.30 OCc1cc(Cl)ccc1Br PI-35234 [1,1,0,0,0,0|1,0,1]=4 921 B10R1.172 BrCc1cccc(C=O)c1 PI-26927 [1,1,0,0,0,0|1,0,0]=3 922 B10R1.172 C1=CC(=CC(=C1)C#N)C=O PI-24269 [1,1,0,0,0,0|1,0,0]=3 923 B10R1.172 C1=CC(=CC(=C1)C#N)CO PI-46956 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.172 C1=CC(=CC(=C1)CO)CO PI-11678 [1,1,0,0,0,0|0,0,1]=3 925 B10R1.172 C=Cc1cccc(c1)C=O PI-27316 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.172 COc1cccc(c1)C=O PI-32570 [1,1,0,0,0,0|0,0,0]=2 932 B10R1.172 COc1cccc(n1)C=O PI-26723 [1,1,0,0,0,0|1,0,0]=3 933 B10R1.172 COc1nccc(c1)CO PI-39370 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.172 ClCc1cccc(c1)OC PI-32021 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.172 O=CC1=CC(OC)=CN=C1 PI-37016 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.172 O=Cc1cccc(c1)C=O PI-16456 [1,1,0,0,0,0|0,0,1]=3 937 B10R1.172 O=Cc1cccc(c1)C=O PI-18771 [1,1,0,0,0,0|0,0,1]=3 938 B10R1.172 OCc1cccc(CBr)c1 PI-22137 [1,1,0,0,0,0|1,0,1]=4 939 B10R1.172 OCc1cccc(c1)OC PI-31272 [1,1,0,0,0,0|0,0,1]=3 940 B10R1.172 OCc1cccc(n1)CO PI-10381 [1,1,0,0,0,0|1,0,1]=4 941 B10R1.176 C1=CC(=C(C=C1C#N)O)F PI-35270 [1,1,0,0,0,0|1,0,1]=4 942 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br PI-27885 [1,1,0,0,0,0|1,0,0]=3 943 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl PI-35233 [1,1,0,0,0,0|1,0,0]=3 944 B10R1.176 C1=CC(=C(C=C1C=O)Br)O PI-18445 [1,1,0,0,0,0|1,0,0]=3 945 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F PI-28406 [1,1,0,0,0,0|1,0,0]=3 946 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O PI-20127 [1,1,0,0,0,0|1,0,0]=3 947 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [1,1,0,0,0,0|1,0,0]=3 948 B10R1.176 C1=CC(=C(C=C1C=O)I)F PI-26322 [1,1,0,0,0,0|1,0,0]=3 949 B10R1.176 C1=CC(=C(C=C1C=O)O)I PI-27146 [1,1,0,0,0,0|0,0,0]=2 950 B10R1.176 C1=CC(=C(C=C1CO)Br)F PI-14435 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.176 C1=CC(=C(C=C1CO)Cl)Cl PI-32224 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [1,1,0,0,0,0|0,0,1]=3 953 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [1,1,0,0,0,0|0,0,1]=3 954 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [1,1,0,0,0,0|1,0,0]=3 955 B10R1.176 CC1=C(C=C(C=C1)C=O)F PI-28215 [1,1,0,0,0,0|1,0,0]=3 956 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [1,1,0,0,0,0|1,0,0]=3 957 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [1,1,0,0,0,0|1,0,0]=3 958 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [1,1,0,0,0,0|2,0,0]=4 960 B10R1.176 Fc1ccc(C=O)cc1Br PI-10431 [1,1,0,0,0,0|1,0,0]=3 961 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.176 O=CC1=CC=C(O)C(I)=C1 PI-27762 [1,1,0,0,0,0|1,0,0]=3 963 B10R1.176 O=Cc1ccc(Cl)c(F)c1 PI-10524 [1,1,0,0,0,0|1,0,0]=3 964 B10R1.176 O=Cc1ccc(F)c(F)c1 PI-10106 [1,1,0,0,0,0|1,0,0]=3 965 B10R1.176 O=Cc1ccc(I)c(F)c1 PI-28941 [1,1,0,0,0,0|1,0,0]=3 966 B10R1.176 O=Cc1ccc(I)c(I)c1 PI-26672 [1,1,0,0,0,0|1,0,0]=3 967 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [1,1,0,0,0,0|0,0,0]=2 968 B10R1.176 O=Cc1ccc(c(c1)Cl)Cl PI-18774 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.176 O=Cc1ccc(c(c1)F)Br PI-10449 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [1,1,0,0,0,0|0,0,0]=2 971 B10R1.176 OCc1ccc(c(c1)F)Br PI-39169 [1,1,0,0,0,0|1,0,1]=4 972 B10R1.13 B(C1=CC=C(C=C1)N)(O)O PI-25845 [1,1,0,0,0,0|1,0,1]=4 973 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [1,1,0,0,0,0|1,0,1]=4 974 B10R1.13 B(C1=CC=C(C=C1)S)(O)O PI-33001 [1,1,0,0,0,0|1,0,1]=4 975 B10R1.13 Brc1ccc(cc1)B(O)O PI-25661 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,1,0,0,0,0|0,0,0]=2 977 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [1,1,0,0,0,0|1,0,0]=3 980 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [1,1,0,0,0,0|1,0,0]=3 981 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [1,1,0,0,0,0|2,0,0]=4 984 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [1,1,0,0,0,0|2,0,0]=4 986 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [1,1,0,0,0,0|1,0,0]=3 988 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,1,0,0,0,0|1,0,0]=3 989 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,1,0,0,0,0|1,0,0]=3 990 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,1,0,0,0,0|0,0,0]=2 991 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,1,0,0,0,0|0,0,0]=2 992 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [1,1,0,0,0,0|0,0,1]=3 993 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [1,1,0,0,0,0|1,1,0]=4 994 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [1,1,0,0,0,0|1,0,1]=4 997 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [1,1,0,0,0,0|1,0,1]=4 998 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [1,1,0,0,0,0|1,0,0]=3 1001 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [1,1,0,0,0,0|1,0,0]=3 1002 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [1,1,0,0,0,0|1,0,0]=3 1003 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [1,1,0,0,0,0|1,0,0]=3 1004 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [1,1,0,0,0,0|1,0,0]=3 1005 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [1,1,0,0,0,0|1,0,0]=3 1006 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,1,0,0,0,0|1,0,0]=3 1007 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,1,0,0,0,0|1,0,0]=3 1011 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,1,0,0,0,0|1,0,1]=4 1012 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,1,0,0,0,0|1,0,1]=4 1013 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,1,0,0,0,0|1,0,1]=4 1015 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,1,0,0,0,0|1,1,0]=4 1019 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,1,0,0,0,0|1,0,1]=4 1022 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,1,0,0,0,0|1,0,1]=4 1024 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,1,0,0,0,0|1,0,1]=4 1025 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,1,0,0,0,0|1,0,1]=4 1026 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,1,0,0,0,0|1,0,1]=4 1027 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [1,1,0,0,0,0|2,0,0]=4 1031 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [1,1,0,0,0,0|1,0,1]=4 1035 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.13 Fc1ccc(cc1)B(O)O PI-31092 [1,1,0,0,0,0|1,0,1]=4 1037 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,1,0,0,0,0|0,0,0]=2 1038 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,1,0,0,0,0|1,0,1]=4 1039 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [1,1,0,0,0,0|1,0,1]=4 1040 B10R1.13 IC1=CC=C(B(O)O)C=C1 PI-33000 [1,1,0,0,0,0|1,0,1]=4 1041 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,1,0,0,0,0|1,0,0]=3 1043 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [1,1,0,0,0,0|1,1,0]=4 1044 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,1,0,0,0,0|1,1,0]=4 1045 B10R1.13 Nc1ccc(cc1)B(O)O PI-31529 [1,1,0,0,0,0|1,0,1]=4 1046 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,1,0,0,0,0|1,0,0]=3 1047 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [1,1,0,0,0,0|1,0,0]=3 1049 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,1,0,0,0,0|1,0,0]=3 1050 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [1,1,0,0,0,0|1,0,1]=4 1054 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [1,1,0,0,0,0|1,0,1]=4 1059 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [1,1,0,0,0,0|1,0,1]=4 1060 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.15 C1=CC(=CN=C1)C(=NO)N PI-34835 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [1,1,0,0,0,0|0,0,1]=3 1066 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,1,0,0,0,0|0,0,0]=2 1067 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,1,0,0,0,0|1,0,1]=4 1068 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|1,0,1]=4 1069 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|1,0,1]=4 1070 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|1,0,1]=4 1071 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|0,0,2]=4 1072 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,1,0,0,0,0|1,0,0]=3 1074 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|1,0,1]=4 1076 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|1,0,1]=4 1077 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|1,0,1]=4 1078 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,1,0,0,0,0|1,0,0]=3 1079 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,1,0,0,0,0|1,0,0]=3 1080 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.15 COC(=O)c1ccccn1 PI-33273 [1,1,0,0,0,0|1,0,0]=3 1085 B10R1.15 COC(=O)c1ccncn1 PI-36498 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|1,0,0]=3 1087 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|0,0,2]=4 1091 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|0,0,0]=2 1092 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|1,0,1]=4 1093 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|1,0,1]=4 1094 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|0,0,2]=4 1095 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,1,0,0,0,0|1,0,0]=3 1096 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,1,0,0,0,0|1,0,0]=3 1097 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [1,1,0,0,0,0|1,0,0]=3 1100 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.28 OS(=O)(=O)c1cccnc1 PI-33168 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.28 OS(=O)(=O)c1ccncc1 PI-40970 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.61 B(C1=CC=CC=C1N)(O)O PI-31530 [1,1,0,0,0,0|1,0,1]=4 1104 B10R1.61 C1=C(C(=NC=N1)N)C(=O)O PI-42082 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [1,1,0,0,0,0|1,0,0]=3 1107 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [1,1,0,0,0,0|1,0,0]=3 1110 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [1,1,0,0,0,0|1,0,0]=3 1111 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [1,1,0,0,0,0|1,0,0]=3 1112 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [1,1,0,0,0,0|0,0,0]=2 1113 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [1,1,0,0,0,0|0,0,0]=2 1114 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [1,1,0,0,0,0|0,0,1]=3 1115 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [1,1,0,0,0,0|1,1,0]=4 1116 B10R1.61 C1=CC=CC(=C1B(O)O)Br PI-39926 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [1,1,0,0,0,0|1,0,0]=3 1118 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [1,1,0,0,0,0|1,0,0]=3 1119 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [1,1,0,0,0,0|1,0,0]=3 1120 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [1,1,0,0,0,0|1,0,0]=3 1121 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [1,1,0,0,0,0|1,0,0]=3 1122 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [1,1,0,0,0,0|1,0,0]=3 1124 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [1,1,0,0,0,0|1,0,0]=3 1125 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [1,1,0,0,0,0|1,0,0]=3 1126 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,1,0,0,0,0|1,0,0]=3 1127 B10R1.61 CC(=O)c1ccccc1I PI-29345 [1,1,0,0,0,0|1,0,0]=3 1128 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,1,0,0,0,0|1,0,0]=3 1129 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [1,1,0,0,0,0|1,0,1]=4 1130 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [1,1,0,0,0,0|1,0,1]=4 1131 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [1,1,0,0,0,0|1,0,0]=3 1133 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [1,1,0,0,0,0|1,0,0]=3 1134 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [1,1,0,0,0,0|1,0,0]=3 1136 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [1,1,0,0,0,0|1,0,1]=4 1137 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [1,1,0,0,0,0|1,0,1]=4 1138 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [1,1,0,0,0,0|1,0,1]=4 1140 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [1,1,0,0,0,0|1,1,0]=4 1142 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [1,1,0,0,0,0|1,1,0]=4 1143 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [1,1,0,0,0,0|1,0,0]=3 1144 B10R1.61 OB(c1ccccc1C)O PI-10305 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.61 OB(c1ccccc1F)O PI-28003 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.61 OB(c1ccccc1O)O PI-37992 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.61 OC(=O)c1ccccc1F PI-16976 [1,1,0,0,0,0|0,0,0]=2 1148 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [1,1,0,0,0,0|1,0,0]=3 1149 B10R1.61 OC(=O)c1cccnc1F PI-16387 [1,1,0,0,0,0|1,0,0]=3 1150 B10R1.61 OC(=O)c1cccnc1N PI-31221 [1,1,0,0,0,0|1,0,0]=3 1151 B10R1.61 OC(=O)c1cccnc1O PI-16700 [1,1,0,0,0,0|1,0,0]=3 1152 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [1,1,0,0,0,0|1,0,0]=3 1153 B10R1.61 OC(=O)c1ccncc1I PI-38273 [1,1,0,0,0,0|1,0,0]=3 1154 B10R1.61 OC(=O)c1ccncc1N PI-10177 [1,1,0,0,0,0|1,0,0]=3 1155 B10R1.61 OC(=O)c1ccncc1O PI-28020 [1,1,0,0,0,0|1,0,0]=3 1156 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [1,1,0,0,0,0|1,0,0]=3 1157 B10R1.61 OC(=O)c1cnccc1N PI-10029 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [1,1,0,0,0,0|1,0,0]=3 1159 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [1,1,0,0,0,0|1,0,0]=3 1160 B10R1.61 OC(=O)c1ncccc1F PI-34434 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.61 OC(=O)c1ncccc1N PI-14129 [1,1,0,0,0,0|1,0,0]=3 1162 B10R1.61 OC(=O)c1ncccc1O PI-16553 [1,1,0,0,0,0|1,0,0]=3 1163 B10R1.61 OC(=O)c1nccnc1Cl PI-29423 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.61 OC(=O)c1nccnc1O PI-29323 [1,1,0,0,0,0|2,0,0]=4 1165 B10R1.61 SC1=CC=CC=C1B(O)O PI-40744 [1,1,0,0,0,0|1,0,1]=4 1166 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [1,1,0,0,0,0|1,0,1]=4 1167 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [0,1,0,0,1,0|2,0,0]=4 1170 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [0,1,0,0,1,0|2,0,0]=4 1171 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [0,1,0,0,1,0|2,0,0]=4 1172 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [0,1,0,0,1,0|2,0,0]=4 1173 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [0,1,0,0,1,0|2,0,0]=4 1174 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [0,1,0,0,1,0|2,0,0]=4 1175 B10R1.14 COC(=O)c1cc(no1)O PI-36768 [0,1,0,0,1,0|2,0,0]=4 1176 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [0,1,0,0,1,0|2,0,0]=4 1177 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [0,1,0,0,1,0|2,0,0]=4 1178 B10R1.14 O=C(C1=CSC(Br)=C1)OC PI-46727 [0,1,0,0,1,0|2,0,0]=4 1179 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O PI-29607 [0,1,0,0,1,0|1,0,1]=4 1180 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [0,1,0,0,1,0|2,0,0]=4 1181 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [0,1,0,0,1,0|1,1,0]=4 1182 B10R1.31 N#Cc1c[nH]c(c1)C(=O)O PI-36278 [0,1,0,0,1,0|2,0,0]=4 1183 B10R1.31 O=Cc1ccc([nH]1)C(=O)O PI-36297 [0,1,0,0,1,0|1,0,1]=4 1184 B10R1.31 O=Cc1ccc(o1)C(=O)O PI-17709 [0,1,0,0,1,0|1,0,1]=4 1185 B10R1.31 OCc1ccc(o1)C(=O)O PI-19793 [0,1,0,0,1,0|1,0,0]=3 1186 B10R1.58 CC1=C(SC(=C1)C(=O)O)C PI-29578 [0,1,0,0,1,0|2,0,0]=4 1187 B10R1.58 OC(=O)c1cc(c(s1)Br)C PI-39423 [0,1,0,0,1,0|2,0,0]=4 1188 B10R1.58 OC(=O)c1cc(c(s1)Br)Cl PI-39422 [0,1,0,0,1,0|2,0,0]=4 1189 B10R1.58 OC(=O)c1oc(C)c(C)c1 PI-17532 [0,1,0,0,1,0|2,0,0]=4 1190 B10R1.58 OC(=O)c1sc(Br)c(Br)c1 PI-26016 [0,1,0,0,1,0|2,0,0]=4 1191 B10R1.59 Brc1sc(c(c1)C(=O)O)Br PI-35047 [0,1,0,0,1,0|2,0,0]=4 1192 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O PI-49746 [0,1,0,0,1,0|2,0,0]=4 1193 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [0,1,0,0,1,0|2,0,0]=4 1194 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PI-29708 [0,1,0,0,1,0|2,0,0]=4 1195 B10R1.59 Cc1sc(c(c1)C(=O)O)C PI-29415 [0,1,0,0,1,0|2,0,0]=4 1196 B10R1.59 Clc1sc(c(c1)C(=O)O)Cl PI-18502 [0,1,0,0,1,0|2,0,0]=4 1197 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [0,1,0,0,1,0|2,0,0]=4 1198 B10R1.39 COC1=CSC=C1C(=O)N PI-29830 [0,1,0,0,1,0|2,0,0]=4 1199 B10R1.39 COC1=CSC=C1C(=O)O PI-29870 [0,1,0,0,1,0|1,0,0]=3 1200 B10R1.39 CSC1=C(C=CS1)C(=O)O PI-29871 [0,1,0,0,1,0|1,1,0]=4 1201 B10R1.149 CC1=C(OC=C1)C(=O)OC PI-30773 [0,1,0,0,1,0|2,0,0]=4 1202 B10R1.149 CC1=C(SC=C1)C(=O)OC PI-29927 [0,1,0,0,1,0|2,0,0]=4 1203 B10R1.149 CN1C=CC=C1C(=O)OC PI-31682 [0,1,0,0,1,0|2,0,0]=4 1204 B10R1.149 COC(=O)C1=C(C=CS1)Br PI-29410 [0,1,0,0,1,0|2,0,0]=4 1205 B10R1.149 COC(=O)C1=C(C=CS1)Cl PI-29957 [0,1,0,0,1,0|2,0,0]=4 1206 B10R1.149 COC(=O)c1ccsc1N PI-15241 [0,1,0,0,1,0|2,0,0]=4 1207 B10R1.149 COC(=O)c1cscc1N PI-29564 [0,1,0,0,1,0|2,0,0]=4 1208 B10R1.149 COC(=O)c1cscc1N PI-29848 [0,1,0,0,1,0|2,0,0]=4 1209 B10R1.149 COC(=O)c1sccc1N PI-31111 [0,1,0,0,1,0|2,0,0]=4 1210 B10R1.149 COC(=O)c1sccc1O PI-18017 [0,1,0,0,1,0|1,0,0]=3 1211 B10R1.149 O=C(C1=C(Br)SC=C1)OC PI-46673 [0,1,0,0,1,0|2,0,0]=4 1212 B10R1.149 O=C(C1=C(F)C=CS1)OC PI-36480 [0,1,0,0,1,0|2,0,0]=4 1213 B10R1.149 O=C(C1=CSC=C1Br)OC PI-46670 [0,1,0,0,1,0|2,0,0]=4 1214 B12R1.19 C1=C(C=C(C(=C1)F)Cl)CC(=O)O PI-28777 [0,1,0,0,0,1|1,0,0]=3 1215 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O PI-10051 [0,1,0,0,0,1|1,0,0]=3 1216 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl PI-12710 [0,1,0,0,0,1|1,0,0]=3 1217 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)O PI-30493 [0,1,0,0,0,1|1,0,0]=3 1218 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F PI-13375 [0,1,0,0,0,1|1,0,0]=3 1219 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)N PI-11326 [0,1,0,0,0,1|2,0,0]=4 1220 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl PI-19534 [0,1,0,0,0,1|2,0,0]=4 1221 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 PI-26031 [0,1,0,0,0,1|0,0,0]=2 1222 B12R1.19 OC(=O)Cc1ccc(c(c1)F)C PI-23761 [0,1,0,0,0,1|1,0,0]=3 1223 B12R1.19 OC(=O)Cc1ccc(c(c1)F)N PI-36900 [0,1,0,0,0,1|1,0,0]=3 1224 B12R1.19 OC(=O)Cc1ccc(c(c1)F)O PI-30640 [0,1,0,0,0,1|1,0,0]=3 1225 B12R1.50 C1=CC(=CC(=C1)Cl)CC(=O)NN PI-50254 [0,1,0,0,0,1|2,0,0]=4 1226 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl PI-23121 [0,1,0,0,0,1|2,0,0]=4 1227 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC PI-50501 [0,1,0,0,0,1|1,0,0]=3 1228 B12R1.50 CCC(=O)NC1=CC=CC(=C1)N PI-30343 [0,1,0,0,0,1|2,0,0]=4 1229 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [0,1,0,0,0,1|2,0,0]=4 1230 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br PI-50496 [0,1,0,0,0,1|1,0,0]=3 1231 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [0,1,0,0,0,1|1,0,0]=3 1232 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50434 [0,1,0,0,0,1|1,0,0]=3 1233 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50508 [0,1,0,0,0,1|1,0,0]=3 1234 B12R1.50 COC(=O)CC1=CC(=CC=C1)O PI-50436 [0,1,0,0,0,1|0,0,0]=2 1235 B12R1.50 COC(=O)Cc1cccc(Cl)c1 PI-30683 [0,1,0,0,0,1|1,0,0]=3 1236 B12R1.101 C1=C(C=C(C=C1F)F)CC(=O)O PI-16879 [0,1,0,0,0,1|1,0,0]=3 1237 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C PI-30607 [0,1,0,0,0,1|1,0,0]=3 1238 B12R1.101 OC(=O)Cc1cc(Cl)cc(c1)Cl PI-35232 [0,1,0,0,0,1|1,0,0]=3 1239 B12R1.127 C1=CC(=C(C=C1Br)CC(=O)O)F PI-30966 [0,1,0,0,0,1|1,0,0]=3 1240 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Br PI-35231 [0,1,0,0,0,1|1,0,0]=3 1241 B12R1.127 CC(=O)Nc1cc(Cl)ccc1O PI-35020 [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)Cl PI-46967 [0,1,0,0,0,1|2,0,0]=4 1243 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O PI-30128 [0,1,0,0,0,1|1,0,0]=3 1244 B12R1.127 CC1=CC(=C(C=C1)O)NC(=O)C PI-27815 [0,1,0,0,0,1|2,0,0]=4 1245 B12R1.127 Cc1ccc(F)cc1CC(=O)O PI-23762 [0,1,0,0,0,1|1,0,0]=3 1246 B12R1.127 OC(=O)Cc1cc(Cl)ccc1Br PI-20652 [0,1,0,0,0,1|1,0,0]=3 1247 B12R1.127 OC(=O)Cc1cc(F)ccc1F PI-13374 [0,1,0,0,0,1|1,0,0]=3 1248 B12R1.127 OC(=O)Cc1cc(O)ccc1O PI-30631 [0,1,0,0,0,1|0,0,0]=2 1249 B12R1.224 C1=CC(=C(C(=C1)F)F)CC(=O)O PI-21212 [0,1,0,0,0,1|1,0,0]=3 1250 B12R1.224 Cc1c(CC(=O)O)cccc1C PI-13241 [0,1,0,0,0,1|1,0,0]=3 1251 B12R1.225 C1=CC(=CC(=C1)Br)C(C(=O)O)N PI-30934 [0,1,0,0,0,1|1,0,0]=3 1252 B12R1.225 C1=CC(=CC(=C1)Cl)C(C(=O)O)N PI-24591 [0,1,0,0,0,1|1,0,0]=3 1253 B12R1.225 CC(C(O)=O)C1=CC(Br)=CC=C1 PI-33919 [0,1,0,0,0,1|1,0,0]=3 1254 B12R1.225 OC(=O)C(O)c1cccc(Br)c1 PI-21550 [0,1,0,0,0,1|1,0,0]=3 1255 B12R1.225 OC(=O)C(O)c1cccc(C)c1 PI-24801 [0,1,0,0,0,1|1,0,0]=3 1256 B12R1.225 O[C@H](C1=CC=CC(Cl)=C1)C(O)=O PI-37323 [0,1,0,0,0,1|1,0,0]=3 1257 B12R1.438 COC1=CC=CC(=C1)CC(=O)O PI-15442 [0,1,0,0,0,1|0,0,0]=2 1258 B12R1.438 O=Cc1cccc(c1)OC(=O)C PI-27498 [0,1,0,0,0,1|1,0,1]=4 1259 B12R1.23 C1=CC(=C(C=C1S(=O)(=O)O)N)Cl PI-11296 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl PI-30545 [0,2,0,0,0,0|2,0,0]=4 1261 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)I PI-30933 [0,2,0,0,0,0|2,0,0]=4 1262 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)O PI-27034 [0,2,0,0,0,0|0,0,0]=2 1263 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F PI-23716 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N PI-11538 [0,2,0,0,0,0|2,0,0]=4 1265 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br PI-30998 [0,2,0,0,0,0|1,0,0]=3 1266 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F PI-13362 [0,2,0,0,0,0|1,0,0]=3 1267 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N PI-30426 [0,2,0,0,0,0|1,0,0]=3 1268 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O PI-10869 [0,2,0,0,0,0|0,0,0]=2 1269 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)F PI-50022 [0,2,0,0,0,0|2,0,0]=4 1270 B12R1.48 COc1ccc(cc1Br)C(=O)C PI-21565 [0,2,0,0,0,0|2,0,0]=4 1271 B12R1.48 COc1ccc(cc1Cl)C(=O)O PI-30550 [0,2,0,0,0,0|1,0,0]=3 1272 B12R1.48 COc1ccc(cc1F)C(=O)C PI-16157 [0,2,0,0,0,0|2,0,0]=4 1273 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] PI-15695 [0,2,0,0,0,0|1,0,1]=4 1274 B12R1.48 COc1ccc(nc1Br)C(=O)O PI-38347 [0,2,0,0,0,0|2,0,0]=4 1275 B12R1.48 N#Cc1ccc(cc1O)[N+](=O)[O-] PI-20828 [0,2,0,0,0,0|1,0,1]=4 1276 B12R1.48 O=C(O)C1=CC=C(C#N)C(F)=C1 PI-37119 [0,2,0,0,0,0|1,0,0]=3 1277 B12R1.48 O=C(O)C1=CC=C(C=O)C(O)=C1 PI-33362 [0,2,0,0,0,0|0,0,0]=2 1278 B12R1.48 O=Cc1ccc(cc1O)[N+](=O)[O-] PI-38227 [0,2,0,0,0,0|1,0,1]=4 1279 B12R1.56 B(C1=CC(=C(C=C1)C)OC)(O)O PI-49932 [0,2,0,0,0,0|1,0,1]=4 1280 B12R1.56 B(C1=CC(=C(C=C1)Cl)OC)(O)O PI-49926 [0,2,0,0,0,0|1,0,1]=4 1281 B12R1.56 B(C1=CC(=C(C=C1)F)OC)(O)O PI-49958 [0,2,0,0,0,0|1,0,1]=4 1282 B12R1.56 C1=CC(=C(C=C1[N+](=O)[O-])CO)Cl PI-26920 [0,2,0,0,0,0|1,0,1]=4 1283 B12R1.56 C1=CC(=C(C=C1[N+](=O)[O-])CO)O PI-26608 [0,2,0,0,0,0|1,0,1]=4 1284 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC PI-30823 [0,2,0,0,0,0|1,0,0]=3 1285 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl PI-16156 [0,2,0,0,0,0|2,0,0]=4 1286 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 1287 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C=O PI-43250 [0,2,0,0,0,0|0,0,1]=3 1288 B12R1.56 CC1=C(C=C(C=C1)[N+](=O)[O-])OC PI-12157 [0,2,0,0,0,0|1,0,1]=4 1289 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [0,2,0,0,0,0|0,0,0]=2 1290 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])Cl PI-20188 [0,2,0,0,0,0|1,0,1]=4 1291 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])F PI-34250 [0,2,0,0,0,0|1,0,1]=4 1292 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])I PI-29688 [0,2,0,0,0,0|1,0,1]=4 1293 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O PI-27481 [0,2,0,0,0,0|1,0,1]=4 1294 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [0,2,0,0,0,0|0,0,0]=2 1295 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] PI-29916 [0,2,0,0,0,0|1,0,1]=4 1296 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [0,2,0,0,0,0|0,0,0]=2 1297 B12R1.56 COc1cc(ccc1F)B(O)O PI-25597 [0,2,0,0,0,0|1,0,1]=4 1298 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [0,2,0,0,0,0|0,0,0]=2 1299 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] PI-32439 [0,2,0,0,0,0|1,0,1]=4 1300 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [0,2,0,0,0,0|0,0,0]=2 1301 B12R1.56 O=C(C1=CC=C(O)C(OC)=C1)C PI-46830 [0,2,0,0,0,0|1,0,0]=3 1302 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [0,2,0,0,0,0|0,0,0]=2 1303 B12R1.56 O=Cc1cc(ccc1O)C(=O)O PI-38270 [0,2,0,0,0,0|0,0,1]=3 1304 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [0,2,0,0,0,0|1,0,0]=3 1305 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [0,2,0,0,0,0|1,0,0]=3 1306 B12R1.232 C1=C(C(=CC(=C1F)Br)F)C(=O)O PI-40947 [0,2,0,0,0,0|1,0,0]=3 1307 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [0,2,0,0,0,0|1,0,0]=3 1308 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)Cl PI-20038 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [0,2,0,0,0,0|1,0,0]=3 1310 B12R1.232 C1=C(C(=CC(=C1F)F)Cl)C(=O)O PI-16074 [0,2,0,0,0,0|1,0,0]=3 1311 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl PI-34298 [0,2,0,0,0,0|2,0,0]=4 1312 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)N PI-30997 [0,2,0,0,0,0|2,0,0]=4 1313 B12R1.232 C1=C(C(=CC(=C1F)F)I)C(=O)O PI-34281 [0,2,0,0,0,0|1,0,0]=3 1314 B12R1.232 C1=C(C(=CC(=C1F)F)N)C(=O)O PI-10424 [0,2,0,0,0,0|1,0,0]=3 1315 B12R1.232 C1=C(C(=CC(=C1O)Br)F)[N+](=O)[O-] PI-27945 [0,2,0,0,0,0|1,0,1]=4 1316 B12R1.232 C1=C(C(=CC(=C1O)Cl)F)[N+](=O)[O-] PI-28861 [0,2,0,0,0,0|1,0,1]=4 1317 B12R1.232 C1=C(C(=CC(=C1O)O)O)C(=O)O PI-11736 [0,2,0,0,0,0|0,0,0]=2 1318 B12R1.232 C1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)O PI-48976 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)F)F PI-30099 [0,2,0,0,0,0|2,0,0]=4 1320 B12R1.232 CC(=O)C1=CC(=C(C=C1F)Cl)F PI-29831 [0,2,0,0,0,0|2,0,0]=4 1321 B12R1.232 CC(=O)C1=CC(=C(C=C1F)F)F PI-29103 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O PI-44126 [0,2,0,0,0,0|1,0,0]=3 1323 B12R1.232 CC(=O)c1cc(Br)c(cc1F)F PI-39136 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.232 CC(=O)c1cc(F)c(cc1Cl)Cl PI-16271 [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F PI-34463 [0,2,0,0,0,0|1,0,0]=3 1326 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C PI-27676 [0,2,0,0,0,0|1,0,0]=3 1327 B12R1.232 CC1=CC(=C(C=C1C)O)C(=O)C PI-23855 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.232 CC1=CC(=C(C=C1Cl)C(=O)C)O PI-30428 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.232 CC1=CC(=C(C=C1F)F)C(=O)O PI-34480 [0,2,0,0,0,0|1,0,0]=3 1330 B12R1.232 ClC(=O)c1cc(F)c(cc1Cl)Cl PI-28871 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.232 Fc1cc(C(=O)O)c(F)cc1C PI-34461 [0,2,0,0,0,0|1,0,0]=3 1332 B12R1.232 Fc1cc(C(=O)O)c(F)cc1F PI-16078 [0,2,0,0,0,0|1,0,0]=3 1333 B12R1.232 Fc1cc(C(=O)O)c(cc1N)F PI-34478 [0,2,0,0,0,0|1,0,0]=3 1334 B12R1.232 O=C(O)C1=CC(C)=C(C)C=C1N PI-40810 [0,2,0,0,0,0|1,0,0]=3 1335 B12R1.232 O=C(O)C1=CC(N)=C(C)C=C1C PI-36846 [0,2,0,0,0,0|1,0,0]=3 1336 B12R1.232 OC(=O)c1cc(Cl)c(F)cc1F PI-10197 [0,2,0,0,0,0|1,0,0]=3 1337 B12R1.232 OC(=O)c1cc(F)c(Cl)nc1Cl PI-16613 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.232 [O-][N+](=O)c1cc(O)c(cc1Cl)Cl PI-29552 [0,2,0,0,0,0|1,0,1]=4 1339 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)F)F PI-21210 [0,2,0,0,0,0|2,0,0]=4 1340 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)Cl)Cl PI-30613 [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O PI-12891 [0,2,0,0,0,0|1,0,0]=3 1342 B12R1.367 C1=CC(=C(C=C1C(=O)NN)Cl)Cl PI-50327 [0,2,0,0,0,0|2,0,0]=4 1343 B12R1.367 C1=CC(=C(C=C1C(=O)NN)F)F PI-50448 [0,2,0,0,0,0|2,0,0]=4 1344 B12R1.367 C1=CC(=C(C=C1C(=O)NN)N)N PI-50369 [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.367 C1=CC(=C(C=C1C(=O)NN)O)O PI-30566 [0,2,0,0,0,0|1,0,0]=3 1346 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O PI-10337 [0,2,0,0,0,0|1,0,1]=4 1347 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O PI-26530 [0,2,0,0,0,0|0,0,2]=4 1348 B12R1.367 CC1=C(C=C(C=C1)C(=NO)N)F PI-23734 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Br PI-30048 [0,2,0,0,0,0|1,0,0]=3 1350 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)C PI-30556 [0,2,0,0,0,0|1,0,0]=3 1351 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Cl PI-32079 [0,2,0,0,0,0|1,0,0]=3 1352 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44887 [0,2,0,0,0,0|1,0,0]=3 1353 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44912 [0,2,0,0,0,0|1,0,0]=3 1354 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)N PI-28231 [0,2,0,0,0,0|1,0,0]=3 1355 B12R1.367 CC1=C(C=CC(=C1)C(=O)NN)Br PI-50352 [0,2,0,0,0,0|2,0,0]=4 1356 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)Br PI-22130 [0,2,0,0,0,0|1,0,0]=3 1357 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)N PI-20693 [0,2,0,0,0,0|1,0,0]=3 1358 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl PI-12719 [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)Br PI-17446 [0,2,0,0,0,0|2,0,0]=4 1360 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F PI-17410 [0,2,0,0,0,0|2,0,0]=4 1361 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)O PI-17412 [0,2,0,0,0,0|1,0,0]=3 1362 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)O PI-50476 [0,2,0,0,0,0|0,0,0]=2 1363 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl PI-18437 [0,2,0,0,0,0|1,0,0]=3 1364 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F PI-50576 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)N PI-40951 [0,2,0,0,0,0|1,0,0]=3 1366 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Br PI-50477 [0,2,0,0,0,0|1,0,0]=3 1367 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O PI-30817 [0,2,0,0,0,0|0,0,0]=2 1368 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Br PI-34712 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)O PI-48213 [0,2,0,0,0,0|1,0,0]=3 1370 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 PI-41936 [0,2,0,0,0,0|1,0,0]=3 1371 B12R1.367 COC(=O)c1ccc(O)c(C)c1 PI-36002 [0,2,0,0,0,0|1,0,0]=3 1372 B12R1.367 COC(=O)c1ccc(O)c(I)c1 PI-36756 [0,2,0,0,0,0|1,0,0]=3 1373 B12R1.367 COC(=O)c1ccc(O)c(O)c1 PI-18336 [0,2,0,0,0,0|0,0,0]=2 1374 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O PI-30567 [0,2,0,0,0,0|1,0,0]=3 1375 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl PI-18531 [0,2,0,0,0,0|1,0,0]=3 1376 B12R1.367 COC(=O)c1ccc(c(c1)N)N PI-30534 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.367 COC(=O)c1ccc(c(c1)N)O PI-39416 [0,2,0,0,0,0|1,0,0]=3 1378 B12R1.367 NNC(=O)c1ccc(Br)c(Cl)c1 PI-20609 [0,2,0,0,0,0|2,0,0]=4 1379 B12R1.367 NNC(=O)c1ccc(Cl)c(Br)c1 PI-20607 [0,2,0,0,0,0|2,0,0]=4 1380 B12R1.367 O=C(NN)C1=CC=C(F)C(Br)=C1 PI-41832 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.367 O=C(OC)C1=CN=C(N)C(Br)=C1 PI-37123 [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.367 OC1=CC=C(C([O-4][K+2])=O)C=C1O PI-50444 [0,2,0,0,0,0|0,0,0]=2 1383 B12R1.367 O\N=C(/N)\c1ccc(F)c(Br)c1 PI-21435 [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)Cl)F PI-20037 [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.893 C1=CC(=C(C(=C1C(=O)N)F)F)F PI-30289 [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)Cl)F PI-20034 [0,2,0,0,0,0|1,0,0]=3 1387 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)O PI-34339 [0,2,0,0,0,0|1,0,0]=3 1388 B12R1.893 C1=CC(=C(C(=C1C(=O)O)O)O)O PI-27783 [0,2,0,0,0,0|0,0,0]=2 1389 B12R1.893 CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl PI-12808 [0,2,0,0,0,0|2,0,0]=4 1390 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 1391 B12R1.893 CC1=C(C(=C(C=C1)C(=O)Cl)F)F PI-21201 [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.893 CC1=C(C(=C(C=C1)[N+](=O)[O-])Cl)O PI-28476 [0,2,0,0,0,0|1,0,1]=4 1393 B12R1.893 CC1=C(C=CC(=C1O)C(=O)C)O PI-29030 [0,2,0,0,0,0|2,0,0]=4 1394 B12R1.893 NC1=C(C=CC(F)=C1F)C(O)=O PI-41759 [0,2,0,0,0,0|1,0,0]=3 1395 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1N PI-41747 [0,2,0,0,0,0|1,0,0]=3 1396 B12R1.893 O=C(O)C1=CC=C(C)C(F)=C1F PI-37178 [0,2,0,0,0,0|1,0,0]=3 1397 B12R1.893 OC(=O)c1ccc(F)c(F)c1F PI-16077 [0,2,0,0,0,0|1,0,0]=3 1398 B12R1.893 OC(=O)c1ccc(c(c1C)F)F PI-34462 [0,2,0,0,0,0|1,0,0]=3 1399 B12R1.893 OC(=O)c1ccc(c(c1F)C)F PI-34460 [0,2,0,0,0,0|1,0,0]=3 1400 B12R1.893 OC(=O)c1ccc(c(c1F)F)N PI-38299 [0,2,0,0,0,0|1,0,0]=3 1401 B12R1.893 OC(=O)c1ccc(c(c1N)C)C PI-32620 [0,2,0,0,0,0|1,0,0]=3 1402 B12R1.893 OC(=O)c1ccc(c(c1N)I)C PI-34646 [0,2,0,0,0,0|1,0,0]=3 1403 B12R1.1005 C1=C(C=C(C(=C1Br)N)Br)C(=O)O PI-16434 [0,2,0,0,0,0|1,0,0]=3 1404 B12R1.1005 C1=C(C=C(C(=C1Br)O)Br)C(=O)O PI-32491 [0,2,0,0,0,0|1,0,0]=3 1405 B12R1.1005 C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O PI-10216 [0,2,0,0,0,0|1,0,0]=3 1406 B12R1.1005 C1=C(C=C(C(=C1I)N)I)C(=O)O PI-30306 [0,2,0,0,0,0|1,0,0]=3 1407 B12R1.1005 C1=C(C=C(C(=C1I)O)I)C(=O)O PI-50669 [0,2,0,0,0,0|1,0,0]=3 1408 B12R1.1005 C1=C(C=C(C(=C1O)Br)O)C(=O)N PI-30122 [0,2,0,0,0,0|1,0,0]=3 1409 B12R1.1005 C1=C(C=C(C(=C1O)Br)O)C(=O)O PI-31080 [0,2,0,0,0,0|0,0,0]=2 1410 B12R1.1005 C1=C(C=C(C(=C1O)O)O)C(=O)N PI-30786 [0,2,0,0,0,0|1,0,0]=3 1411 B12R1.1005 C1=C(C=C(C(=C1O)O)O)C(=O)O PI-41884 [0,2,0,0,0,0|0,0,0]=2 1412 B12R1.1005 C1=C(C=C(Cl)C(=C1Cl)N)C(C)=O PI-16160 [0,2,0,0,0,0|2,0,0]=4 1413 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Br)O)Br PI-29437 [0,2,0,0,0,0|2,0,0]=4 1414 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl PI-29196 [0,2,0,0,0,0|2,0,0]=4 1415 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)F)F)F PI-29351 [0,2,0,0,0,0|2,0,0]=4 1416 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)F)N)F PI-30944 [0,2,0,0,0,0|2,0,0]=4 1417 B12R1.1005 CC1=C(C=C(C=C1Br)C(=O)O)Br PI-20976 [0,2,0,0,0,0|1,0,0]=3 1418 B12R1.1005 CC1=C(C=C(C=C1O)C(=O)O)O PI-10217 [0,2,0,0,0,0|0,0,0]=2 1419 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N PI-12465 [0,2,0,0,0,0|2,0,0]=4 1420 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 1421 B12R1.1005 OC(=O)c1cc(C)c(c(c1)C)O PI-27630 [0,2,0,0,0,0|1,0,0]=3 1422 B12R1.1005 OC(=O)c1cc(Cl)c(c(c1)Cl)Cl PI-35507 [0,2,0,0,0,0|1,0,0]=3 1423 B12R1.1005 OC(=O)c1cc(Cl)c(c(c1)Cl)N PI-11020 [0,2,0,0,0,0|1,0,0]=3 1424 B12R1.1005 OC(=O)c1cc(F)c(F)c(F)c1 PI-16080 [0,2,0,0,0,0|1,0,0]=3 1425 B12R1.1005 OC(=O)c1cc(F)c(c(c1)F)N PI-38301 [0,2,0,0,0,0|1,0,0]=3 1426 B12R1.17 C1=CC(=CC(=C1)Cl)C(=O)CC#N PI-30316 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N PI-29676 [0,2,0,0,0,0|2,0,0]=4 1428 B12R1.17 CCOC(=O)C1=CC(=CC=C1)Cl PI-50247 [0,2,0,0,0,0|1,0,0]=3 1429 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F PI-34136 [0,2,0,0,0,0|1,0,0]=3 1430 B12R1.17 CCOC(=O)C1=CC(=CC=C1)O PI-18902 [0,2,0,0,0,0|0,0,0]=2 1431 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br PI-10174 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.17 CCOC(=O)C1=CC(=NC=C1)Cl PI-35025 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C PI-50248 [0,2,0,0,0,0|1,0,0]=3 1434 B12R1.17 CCOC(=O)c1cccc(c1)N PI-12743 [0,2,0,0,0,0|1,0,0]=3 1435 B12R1.17 CNCC(=O)C1=CC(=CC=C1)O PI-44651 [0,2,0,0,0,0|1,0,0]=3 1436 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-33512 [0,2,0,0,0,0|1,0,1]=4 1437 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-41191 [0,2,0,0,0,0|1,0,1]=4 1438 B12R1.17 CNC[C@@H](c1cccc(c1)O)O PI-33511 [0,2,0,0,0,0|1,0,1]=4 1439 B12R1.17 N#CCC(=O)c1cccc(F)c1 PI-23465 [0,2,0,0,0,0|2,0,0]=4 1440 B12R1.17 N#CCC(C1=CC=CC(Br)=C1)=O PI-20540 [0,2,0,0,0,0|2,0,0]=4 1441 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 PI-41287 [0,2,0,0,0,0|1,0,0]=3 1442 B12R1.17 S=C=NC(=O)c1cccc(Cl)c1 PI-23160 [0,2,0,0,0,0|1,1,0]=4 1443 B12R1.24 C1=CC(=C(C(=C1)Cl)Cl)C(=NO)N PI-21003 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.24 C1=CC(=C(C(=C1)Cl)Cl)C(=O)C#N PI-12595 [0,2,0,0,0,0|2,0,0]=4 1445 B12R1.24 CC1=C(C(=CC=C1)C(=O)NN)O PI-20806 [0,2,0,0,0,0|2,0,0]=4 1446 B12R1.24 CC1=C(C(=CC=C1)C(=O)OC)N PI-31514 [0,2,0,0,0,0|1,0,0]=3 1447 B12R1.24 CC1=C(C=CC=C1Br)C(=O)NN PI-50522 [0,2,0,0,0,0|2,0,0]=4 1448 B12R1.24 CC1=C(C=CC=C1O)C(=O)OC PI-50569 [0,2,0,0,0,0|0,0,0]=2 1449 B12R1.24 CCC(=O)C1=C(C(=CC=C1)F)F PI-21239 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.24 COC(=O)C1=C(C(=CC=C1)Br)N PI-35914 [0,2,0,0,0,0|1,0,0]=3 1451 B12R1.24 COC(=O)C1=C(C(=CC=C1)Cl)N PI-11518 [0,2,0,0,0,0|1,0,0]=3 1452 B12R1.24 COC(=O)C1=C(C(=NC=C1)Cl)F PI-34474 [0,2,0,0,0,0|2,0,0]=4 1453 B12R1.24 COC(=O)c1cccc(c1N)N PI-36775 [0,2,0,0,0,0|1,0,0]=3 1454 B12R1.24 COC(=O)c1cccc(c1N)O PI-38626 [0,2,0,0,0,0|0,0,0]=2 1455 B12R1.24 COC(=O)c1cccc(c1O)O PI-39003 [0,2,0,0,0,0|0,0,0]=2 1456 B12R1.24 COC(=O)c1ccnc(c1N)Cl PI-38952 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.24 Cc1c(cccc1N)C(=O)OC PI-16129 [0,2,0,0,0,0|1,0,0]=3 1458 B12R1.354 C1=CC(=C(C=C1Br)C(=O)NN)O PI-50602 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NN)Cl PI-30842 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NN)N PI-50274 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NO)O PI-30543 [0,2,0,0,0,0|1,0,0]=3 1462 B12R1.354 C1=CC(=C(C=C1F)C(=O)CBr)O PI-21450 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.354 C1=CC(=C(C=C1O)C(=O)CBr)O PI-31569 [0,2,0,0,0,0|1,0,0]=3 1464 B12R1.354 CC1=C(C=C(C=C1)F)C(=O)OC PI-35260 [0,2,0,0,0,0|1,0,0]=3 1465 B12R1.354 CC1=CC(=C(C=C1)N)C(=O)NN PI-19389 [0,2,0,0,0,0|2,0,0]=4 1466 B12R1.354 CC1=CC(=C(C=C1)O)C(=O)OC PI-28293 [0,2,0,0,0,0|1,0,0]=3 1467 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PI-17699 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.354 CCC(=O)c1cc(Br)ccc1O PI-21516 [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.354 CCC(=O)c1cc(C)ccc1O PI-20819 [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.354 CCC(=O)c1cc(O)ccc1O PI-17243 [0,2,0,0,0,0|1,0,0]=3 1471 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)I PI-40379 [0,2,0,0,0,0|1,0,0]=3 1472 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)O PI-50603 [0,2,0,0,0,0|1,0,0]=3 1473 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)Cl PI-50468 [0,2,0,0,0,0|1,0,0]=3 1474 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)N PI-18615 [0,2,0,0,0,0|1,0,0]=3 1475 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)O PI-18529 [0,2,0,0,0,0|1,0,0]=3 1476 B12R1.354 COC(=O)C1=C(C=CC(=C1)F)N PI-21369 [0,2,0,0,0,0|1,0,0]=3 1477 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)N PI-50229 [0,2,0,0,0,0|0,0,0]=2 1478 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)O PI-13745 [0,2,0,0,0,0|0,0,0]=2 1479 B12R1.354 COC(=O)C1=CC(=CNC1=O)Br PI-40202 [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.354 COC(=O)C1=CC(=NC=C1Br)N PI-49441 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.354 COC(=O)c1cc(Br)ccc1N PI-10941 [0,2,0,0,0,0|1,0,0]=3 1482 B12R1.354 COC(=O)c1cc(Br)cnc1Cl PI-33163 [0,2,0,0,0,0|2,0,0]=4 1483 B12R1.354 COC(=O)c1cc(Cl)ccc1Br PI-34137 [0,2,0,0,0,0|1,0,0]=3 1484 B12R1.354 COC(=O)c1cc(Cl)cnc1Cl PI-36933 [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.354 COC(=O)c1cc(I)cnc1Cl PI-38829 [0,2,0,0,0,0|2,0,0]=4 1486 B12R1.354 Cc1ccc(N)cc1C(=O)OC PI-32080 [0,2,0,0,0,0|1,0,0]=3 1487 B12R1.354 Clc1ccc(Cl)cc1C(=O)CBr PI-31568 [0,2,0,0,0,0|2,0,0]=4 1488 B12R1.354 O=C(OC)C1=CC(O)=NC=C1Br PI-37406 [0,2,0,0,0,0|1,0,0]=3 1489 B12R1.354 OC1=CC=C(Br)C=C1C(CBr)=O PI-20573 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.354 Oc1ccc(Cl)cc1C(=O)CBr PI-20638 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.358 C1=C(C=C(C=C1Cl)Cl)C(=O)NN PI-50250 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.358 C1=C(C=C(C=C1F)F)C(=O)NN PI-50460 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.358 C1=C(C=C(C=C1N)N)C(=O)NN PI-50371 [0,2,0,0,0,0|2,0,0]=4 1494 B12R1.358 C1=C(C=C(C=C1O)O)C(=O)CBr PI-21652 [0,2,0,0,0,0|1,0,0]=3 1495 B12R1.358 C1=C(C=C(C=C1O)O)C(=O)NN PI-30925 [0,2,0,0,0,0|1,0,0]=3 1496 B12R1.358 CC1=NC(=CC(=C1)C(=O)OC)Cl PI-43952 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.358 CCC(=O)C1=CC(=CC(=C1)F)F PI-31055 [0,2,0,0,0,0|2,0,0]=4 1498 B12R1.358 COC(=O)C1=CC(=CC(=C1)Br)O PI-47173 [0,2,0,0,0,0|0,0,0]=2 1499 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl PI-50527 [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.358 COC(=O)C1=NC(=CC(=C1)Cl)Cl PI-50679 [0,2,0,0,0,0|2,0,0]=4 1501 B12R1.358 COC(=O)c1cc(Br)cc(c1)Br PI-30670 [0,2,0,0,0,0|1,0,0]=3 1502 B12R1.358 COC(=O)c1cc(Cl)nc(c1)Cl PI-39320 [0,2,0,0,0,0|2,0,0]=4 1503 B12R1.358 COC(=O)c1cc(O)cc(c1)O PI-18337 [0,2,0,0,0,0|0,0,0]=2 1504 B12R1.358 O=C(OC)C1=CC(C)=CC(N)=C1 PI-39679 [0,2,0,0,0,0|1,0,0]=3 1505 B12R1.435 C1=CC(=CC(=C1)C(=O)CBr)C#N PI-20310 [0,2,0,0,0,0|2,0,0]=4 1506 B12R1.435 CCC(=O)C1=CC(=CC=C1)OC PI-49387 [0,2,0,0,0,0|1,0,0]=3 1507 B12R1.435 COC(=O)C1=CC(=NC=C1)C#N PI-44381 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.435 COC(=O)C1=CC=CC(=C1)C#N PI-45902 [0,2,0,0,0,0|1,0,0]=3 1509 B12R1.435 COC(=O)C1=CC=CC(=C1)CBr PI-30071 [0,2,0,0,0,0|1,0,0]=3 1510 B12R1.435 COC(=O)c1cccc(C=O)c1 PI-27667 [0,2,0,0,0,0|0,0,1]=3 1511 B12R1.435 COC(=O)c1cccc(n1)C=O PI-38434 [0,2,0,0,0,0|1,0,1]=4 1512 B12R1.435 COC1=CC(=NC=C1)C(=O)OC PI-26535 [0,2,0,0,0,0|1,0,0]=3 1513 B12R1.435 COC1=CC=CC(=C1)C(=O)CBr PI-21567 [0,2,0,0,0,0|1,0,0]=3 1514 B12R1.435 COC1=CC=CC(=C1)C(=O)OC PI-50321 [0,2,0,0,0,0|0,0,0]=2 1515 B12R1.435 COC1=CC=CC(=N1)C(=O)NN PI-41957 [0,2,0,0,0,0|2,0,0]=4 1516 B12R1.11 B(C1=CC(=CC(=C1)F)OC)(O)O PI-49915 [0,2,0,0,0,0|1,0,1]=4 1517 B12R1.11 C1=C(C=C(C=C1[N+](=O)[O-])Cl)CO PI-44127 [0,2,0,0,0,0|1,0,1]=4 1518 B12R1.11 COC1=NC(=CC(=C1)C(=O)Cl)Cl PI-20146 [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.11 COC1=NC(=CC(=C1)C(=O)O)Cl PI-26177 [0,2,0,0,0,0|1,0,0]=3 1520 B12R1.11 COc1cc(C)cc(c1)C(=O)O PI-36103 [0,2,0,0,0,0|0,0,0]=2 1521 B12R1.11 COc1cc(N)cc(c1)[N+](=O)[O-] PI-29722 [0,2,0,0,0,0|1,0,1]=4 1522 B12R1.511 C1=C(C=C(C(=C1C(=O)Cl)O)I)I PI-31884 [0,2,0,0,0,0|2,0,0]=4 1523 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)Cl)Cl PI-27648 [0,2,0,0,0,0|1,0,0]=3 1524 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl PI-24093 [0,2,0,0,0,0|1,0,0]=3 1525 B12R1.511 C1=C(C=C(C(=C1C(=O)O)F)F)F PI-31256 [0,2,0,0,0,0|1,0,0]=3 1526 B12R1.511 C1=C(C=C(C(=C1C(=O)O)N)Br)Br PI-30765 [0,2,0,0,0,0|1,0,0]=3 1527 B12R1.511 C1=C(C=C(C(=C1C(=O)O)N)I)I PI-30766 [0,2,0,0,0,0|1,0,0]=3 1528 B12R1.511 C1=C(C=C(C(=C1C(=O)O)O)Br)Br PI-27468 [0,2,0,0,0,0|1,0,0]=3 1529 B12R1.511 C1=C(C=C(C(=C1C(=O)O)O)I)I PI-31883 [0,2,0,0,0,0|1,0,0]=3 1530 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Br)Br)O PI-30333 [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Br)O PI-30753 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Cl)F PI-28571 [0,2,0,0,0,0|2,0,0]=4 1533 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Cl)O PI-15408 [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.511 CC(=O)C1=C(C(=CC(=C1)F)F)O PI-29133 [0,2,0,0,0,0|2,0,0]=4 1535 B12R1.511 CC1=C(C=C(C=C1F)F)C(=O)O PI-34482 [0,2,0,0,0,0|1,0,0]=3 1536 B12R1.511 CC1=C(C=C(C=C1N)Br)C(=O)O PI-47174 [0,2,0,0,0,0|1,0,0]=3 1537 B12R1.511 CC1=CC(=C(C(=C1)Br)N)C(=O)O PI-30110 [0,2,0,0,0,0|1,0,0]=3 1538 B12R1.511 CC1=CC(=C(C(=C1)F)F)C(=O)O PI-34479 [0,2,0,0,0,0|1,0,0]=3 1539 B12R1.511 CC1=CC(=C(C(=C1)N)O)C(=O)C PI-15951 [0,2,0,0,0,0|2,0,0]=4 1540 B12R1.511 CC1=CC(=CC(=C1F)C(=O)O)F PI-34481 [0,2,0,0,0,0|1,0,0]=3 1541 B12R1.511 CC1=CC(=CC(=C1N)C(=O)N)Br PI-48684 [0,2,0,0,0,0|2,0,0]=4 1542 B12R1.511 CC1=CC(=CC(=C1N)C(=O)O)Br PI-35864 [0,2,0,0,0,0|1,0,0]=3 1543 B12R1.511 CC1=CC(=CC(=C1N)C(=O)O)Cl PI-10075 [0,2,0,0,0,0|1,0,0]=3 1544 B12R1.511 CC1=CC(=CC(=C1O)C(=O)O)Br PI-14455 [0,2,0,0,0,0|1,0,0]=3 1545 B12R1.511 Cc1cc(C)c(N)c(c1)C(=O)O PI-10077 [0,2,0,0,0,0|1,0,0]=3 1546 B12R1.511 Cc1cc(C)c(c(c1)C(=O)C)O PI-23854 [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.511 Cc1cc(C)c(c(c1)C(=O)C)O PI-38914 [0,2,0,0,0,0|2,0,0]=4 1548 B12R1.511 Clc1cc(Cl)c(c(c1)C(=O)O)N PI-10925 [0,2,0,0,0,0|1,0,0]=3 1549 B12R1.511 Fc1cc(F)c(c(c1)C(=O)O)Br PI-39333 [0,2,0,0,0,0|1,0,0]=3 1550 B12R1.511 O=C(O)C1=CC(Br)=CC(F)=C1N PI-42637 [0,2,0,0,0,0|1,0,0]=3 1551 B12R1.511 OC(=O)C1=C(I)C(I)=CC(I)=C1 PI-12207 [0,2,0,0,0,0|1,0,0]=3 1552 B12R1.128 O=S(C1=CC(N)=CC=C1N)(O)=O PI-32424 [0,2,0,0,0,0|2,0,0]=4 1553 B12R1.436 COC1=CC(=CC=C1)S(=O)(=O)Cl PI-40966 [0,2,0,0,0,0|1,0,1]=4 1554 B12R1.87 COC1=C(C=CC=C1I)C(=O)O PI-48048 [0,2,0,0,0,0|1,0,0]=3 1555 B12R1.87 COC1=C(C=CN=C1C(=O)O)Cl PI-34876 [0,2,0,0,0,0|2,0,0]=4 1556 B12R1.440 C1=CC(=C(C(=C1)C(=O)O)N)C=O PI-27422 [0,2,0,0,0,0|0,0,1]=3 1557 B12R1.440 CC1=C(C=CC=C1OC)C(=O)O PI-11935 [0,2,0,0,0,0|0,0,0]=2 1558 B12R1.440 CC1=C(C=CC=C1OC)[N+](=O)[O-] PI-26676 [0,2,0,0,0,0|1,0,1]=4 1559 B12R1.440 CC1=C(C=CC=C1[N+](=O)[O-])CO PI-26338 [0,2,0,0,0,0|1,0,1]=4 1560 B12R1.440 CNC1=CC=CC(=C1O)C(=O)O PI-43053 [0,2,0,0,0,0|1,0,0]=3 1561 B12R1.440 COC1=CC=CC(=C1Br)[N+](=O)[O-] PI-29844 [0,2,0,0,0,0|1,0,1]=4 1562 B12R1.440 COC1=CC=CC(=C1N)C(=O)O PI-30469 [0,2,0,0,0,0|0,0,0]=2 1563 B12R1.440 COC1=CC=CC(=C1O)C(=O)O PI-16106 [0,2,0,0,0,0|0,0,0]=2 1564 B12R1.440 COc1cccc(c1Br)C(=O)O PI-39348 [0,2,0,0,0,0|0,0,0]=2 1565 B12R1.440 COc1cccc(c1F)B(O)O PI-25468 [0,2,0,0,0,0|1,0,1]=4 1566 B12R1.440 O=C(Cl)C1=CC=CC(OC)=C1C PI-37995 [0,2,0,0,0,0|1,0,0]=3 1567 B12R1.894 C1=CC(=C(C(=C1F)C(=O)Cl)Cl)F PI-20036 [0,2,0,0,0,0|2,0,0]=4 1568 B12R1.894 C1=CC(=C(C(=C1F)C(=O)Cl)F)Cl PI-17449 [0,2,0,0,0,0|2,0,0]=4 1569 B12R1.894 C1=CC(=C(C(=C1F)C(=O)O)Cl)F PI-20033 [0,2,0,0,0,0|1,0,0]=3 1570 B12R1.894 C1=CC(=C(C(=C1F)C(=O)O)F)Cl PI-20035 [0,2,0,0,0,0|1,0,0]=3 1571 B12R1.894 C1=CC(=C(C(=C1F)C(=O)O)F)F PI-16076 [0,2,0,0,0,0|1,0,0]=3 1572 B12R1.894 C1=CC(=C(C(=C1F)Cl)C(=O)Cl)Cl PI-33643 [0,2,0,0,0,0|2,0,0]=4 1573 B12R1.894 C1=CC(=C(C(=C1N)F)C(=O)O)F PI-34458 [0,2,0,0,0,0|1,0,0]=3 1574 B12R1.894 C1=CC(=C(C(=C1O)Cl)[N+](=O)[O-])Cl PI-42108 [0,2,0,0,0,0|1,0,1]=4 1575 B12R1.894 CC(=O)C1=C(C=CC(=C1F)Cl)F PI-20026 [0,2,0,0,0,0|2,0,0]=4 1576 B12R1.894 CC(=O)C1=C(C=CC(=C1F)F)F PI-29328 [0,2,0,0,0,0|2,0,0]=4 1577 B12R1.894 CC(=O)c1c(Cl)ccc(F)c1Cl PI-16491 [0,2,0,0,0,0|2,0,0]=4 1578 B12R1.894 CC(C1=C(F)C=CC(C)=C1Cl)=O PI-40481 [0,2,0,0,0,0|2,0,0]=4 1579 B12R1.894 CC1=C(C(=C(C=C1)C)C(=O)C)C PI-29682 [0,2,0,0,0,0|2,0,0]=4 1580 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)Cl)F PI-20099 [0,2,0,0,0,0|2,0,0]=4 1581 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)F PI-20097 [0,2,0,0,0,0|1,0,0]=3 1582 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)Cl)Cl PI-20098 [0,2,0,0,0,0|2,0,0]=4 1583 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)Cl)F PI-21202 [0,2,0,0,0,0|2,0,0]=4 1584 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)O)Cl PI-20096 [0,2,0,0,0,0|1,0,0]=3 1585 B12R1.894 CC1=C(C(=C(C=C1)O)Br)[N+](=O)[O-] PI-46539 [0,2,0,0,0,0|1,0,1]=4 1586 B12R1.894 Clc1ccc(Cl)c(C(=O)O)c1N PI-30449 [0,2,0,0,0,0|1,0,0]=3 1587 B12R1.894 O=C(O)C1=C(F)C=CC(I)=C1F PI-34286 [0,2,0,0,0,0|1,0,0]=3 1588 B12R1.894 OC(=O)c1c(Br)ccc(c1F)F PI-39309 [0,2,0,0,0,0|1,0,0]=3 1589 B12R1.894 OC(=O)c1c(Cl)ccc(F)c1Cl PI-10219 [0,2,0,0,0,0|1,0,0]=3 1590 B12R1.46 CC(=O)C1=C(C=CC(=C1)Cl)OC PI-30816 [0,2,0,0,0,0|2,0,0]=4 1591 B12R1.46 CC(=O)C1=C(C=CC(=C1)F)OC PI-30626 [0,2,0,0,0,0|2,0,0]=4 1592 B12R1.46 CC1=CC(=C(C=C1)OC)C(=O)O PI-31512 [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.46 COC1=C(C=C(C=C1)Cl)C(=O)Cl PI-12024 [0,2,0,0,0,0|2,0,0]=4 1594 B12R1.46 COC1=C(C=C(C=N1)Br)C(=O)O PI-26734 [0,2,0,0,0,0|2,0,0]=4 1595 B12R1.46 COc1ccc(Br)cc1C(=O)C PI-21551 [0,2,0,0,0,0|2,0,0]=4 1596 B12R1.46 COc1ccc(Cl)cc1C(=O)O PI-33462 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.453 B(C1=C(C=CC(=C1)CO)F)(O)O PI-49954 [0,2,0,0,0,0|1,0,1]=4 1598 B12R1.453 B(C1=C(C=CC(=C1)OC)Cl)(O)O PI-33007 [0,2,0,0,0,0|1,0,1]=4 1599 B12R1.453 C1=CC(=C(C=C1C=O)C(=O)O)F PI-42451 [0,2,0,0,0,0|0,0,1]=3 1600 B12R1.453 C1=CC(=C(C=C1CO)[N+](=O)[O-])Cl PI-26743 [0,2,0,0,0,0|1,0,1]=4 1601 B12R1.453 C1=CC(=C(C=C1CO)[N+](=O)[O-])O PI-20830 [0,2,0,0,0,0|1,0,1]=4 1602 B12R1.453 CC(=O)C1=C(C=CC(=C1)C#N)O PI-35466 [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.453 CC1=C(C=C(C=C1)CO)[N+](=O)[O-] PI-26620 [0,2,0,0,0,0|1,0,1]=4 1604 B12R1.453 CC1=C(C=C(C=C1)OC)[N+](=O)[O-] PI-31366 [0,2,0,0,0,0|1,0,1]=4 1605 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)C PI-29391 [0,2,0,0,0,0|2,0,0]=4 1606 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)Cl PI-21556 [0,2,0,0,0,0|1,0,0]=3 1607 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)O PI-30340 [0,2,0,0,0,0|0,0,0]=2 1608 B12R1.453 COC1=CC(=C(C=C1)Br)[N+](=O)[O-] PI-29670 [0,2,0,0,0,0|1,0,1]=4 1609 B12R1.453 COC1=CC(=C(C=C1)I)[N+](=O)[O-] PI-29724 [0,2,0,0,0,0|1,0,1]=4 1610 B12R1.453 COC1=CC(=C(C=C1)O)[N+](=O)[O-] PI-29161 [0,2,0,0,0,0|1,0,1]=4 1611 B12R1.453 COC1=NC=C(C(=C1)C(=O)O)N PI-26230 [0,2,0,0,0,0|1,0,0]=3 1612 B12R1.453 COc1ccc(N)c(c1)C(=O)O PI-16410 [0,2,0,0,0,0|0,0,0]=2 1613 B12R1.453 COc1ccc(c(c1)C(=O)C)O PI-29865 [0,2,0,0,0,0|1,0,0]=3 1614 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl PI-18773 [0,2,0,0,0,0|0,0,0]=2 1615 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl PI-29037 [0,2,0,0,0,0|1,0,1]=4 1616 B12R1.453 O=C(O)C1=CC(CC)=CC=C1N PI-42626 [0,2,0,0,0,0|1,0,0]=3 1617 B12R1.453 O=C(O)C1=CC(OC)=CC=C1S PI-37112 [0,2,0,0,0,0|0,0,0]=2 1618 B12R1.258 B(C1=CC(=CC=C1)C(=O)C)(O)O PI-25317 [0,2,0,0,0,0|1,0,0]=3 1619 B12R1.258 C1=CN=C(C=C1C(=O)O)C(=O)O PI-31208 [0,2,0,0,0,0|1,0,0]=3 1620 B12R1.258 C1=CN=C(C=C1C(=O)O)[N+](=O)[O-] PI-35023 [0,2,0,0,0,0|1,0,1]=4 1621 B12R1.258 CC(=C)C1=CC(=CC=C1)C(=O)C PI-50179 [0,2,0,0,0,0|2,0,0]=4 1622 B12R1.258 CC(=O)C1=CC(=CC=C1)N(C)C PI-29288 [0,2,0,0,0,0|2,0,0]=4 1623 B12R1.258 CC(=O)c1cccc(c1)C(=O)O PI-29723 [0,2,0,0,0,0|0,0,1]=3 1624 B12R1.258 CC(=O)c1cccc(c1)[N+](=O)[O-] PI-32568 [0,2,0,0,0,0|1,0,1]=4 1625 B12R1.258 CN(C)C1=CC=CC(=C1)C(=O)O PI-34171 [0,2,0,0,0,0|1,0,0]=3 1626 B12R1.258 CN(C)c1cccc(c1)C(=O)N PI-23370 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.258 CN(c1ccnc(c1)C(=O)O)C PI-38290 [0,2,0,0,0,0|2,0,0]=4 1628 B12R1.258 C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])O PI-49811 [0,2,0,0,0,0|1,0,1]=4 1629 B12R1.258 O=C(O)C1=CC=CC(C(F)F)=C1 PI-41972 [0,2,0,0,0,0|1,0,0]=3 1630 B12R1.258 OB(C1=CC=CC(B(O)O)=C1)O PI-37256 [0,2,0,0,0,0|1,0,1]=4 1631 B12R1.258 OB(c1cccc(c1)C(=O)N)O PI-25466 [0,2,0,0,0,0|1,0,0]=3 1632 B12R1.258 OB(c1cccc(c1)C(=O)O)O PI-10307 [0,2,0,0,0,0|0,0,0]=2 1633 B12R1.258 OB(c1cccc(c1)[N+](=O)[O-])O PI-16836 [0,2,0,0,0,0|1,0,1]=4 1634 B12R1.258 OC(=O)c1cccc(n1)C(=O)O PI-16409 [0,2,0,0,0,0|1,0,0]=3 1635 B12R1.258 OC(=O)c1cncc(c1)C(=O)O PI-16423 [0,2,0,0,0,0|1,0,0]=3 1636 B12R1.258 OC(=O)c1cncc(c1)[N+](=O)[O-] PI-31103 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.279 B(C1=CC(=CC=C1)COC)(O)O PI-25147 [0,2,0,0,0,0|1,0,1]=4 1638 B12R1.279 B(C1=CC(=CC=C1)OCC)(O)O PI-25964 [0,2,0,0,0,0|1,0,1]=4 1639 B12R1.279 C(#N)CC1=CC=CC(=C1)C(=O)O PI-41821 [0,2,0,0,0,0|1,0,0]=3 1640 B12R1.279 C1=CC(=CC(=C1)C(=O)O)CCO PI-16394 [0,2,0,0,0,0|0,0,0]=2 1641 B12R1.279 C1=CC(=CC(=C1)N=C=S)C(=O)O PI-23094 [0,2,0,0,0,0|0,1,0]=3 1642 B12R1.279 C1=CC(=CC(=C1)[N+](=O)[O-])C=NO PI-18482 [0,2,0,0,0,0|1,0,1]=4 1643 B12R1.279 CC(=O)C1=CC(=CC=C1)N=C=O PI-29370 [0,2,0,0,0,0|1,0,1]=4 1644 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O PI-27803 [0,2,0,0,0,0|0,0,0]=2 1645 B12R1.279 O=C(N)C1=CC=CC(OCC)=C1 PI-30716 [0,2,0,0,0,0|1,0,0]=3 1646 B10R1.23 OC(=O)C(=O)c1cccs1 PI-12233 [0,0,1,1,0,0|1,1,0]=4 1647 B10R1.66 C1=COC(=C1)C=C[N+](=O)[O-] PI-17051 [0,0,1,1,0,0|1,0,1]=4 1648 B10R1.66 C1=COC=C1C=CC(=O)O PI-17379 [0,0,1,1,0,0|2,0,0]=4 1649 B10R1.66 C1=CSC=C1C=CC(=O)O PI-29082 [0,0,1,1,0,0|2,0,0]=4 1650 B10R1.66 CC(=O)C=CC1=CC=CO1 PI-17492 [0,0,1,1,0,0|1,0,0]=3 1651 B10R1.66 CC(=O)C=CC1=CC=CS1 PI-29954 [0,0,1,1,0,0|1,1,0]=4 1652 B10R1.66 OC(=O)\C=C\c1c[nH]cn1 PI-27057 [0,0,1,1,0,0|2,0,0]=4 1653 B10R1.66 OC(=O)\C=C\c1ccco1 PI-28626 [0,0,1,1,0,0|0,0,0]=2 1654 B10R1.66 OC(=O)\C=C\c1ccco1 PI-31027 [0,0,1,1,0,0|0,0,0]=2 1655 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [0,0,1,1,0,0|0,1,0]=3 1656 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [0,0,1,1,0,0|0,1,0]=3 1657 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [1,0,0,1,0,0|1,0,1]=4 1658 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|1,0,1]=4 1659 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|1,0,1]=4 1660 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|1,0,0]=3 1661 B12R2.202 C1=CC(=C2C(=C1)SC(=O)N2)F PI-45347 [0,0,0,1,0,1|2,0,0]=4 1662 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=O)N2 PI-45344 [0,0,0,1,0,1|1,1,0]=4 1663 B12R2.202 C1C(=O)CC2=C1C=CC=C2Br PI-32756 [0,0,0,1,0,1|2,0,0]=4 1664 B12R2.202 C1C(=O)CC2=C1C=CC=C2Cl PI-32755 [0,0,0,1,0,1|2,0,0]=4 1665 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [0,0,0,1,0,1|2,0,0]=4 1666 B12R2.202 CC1=C2C(=CC=C1)SC(=O)N2 PI-45350 [0,0,0,1,0,1|2,0,0]=4 1667 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [0,0,0,1,0,1|2,0,0]=4 1668 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [0,0,0,1,0,1|2,0,0]=4 1669 B12R2.202 Oc1sc2c(n1)c(Cl)ccc2 PI-11976 [0,0,0,1,0,1|2,0,0]=4 1670 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)N2 PI-45071 [0,0,0,1,0,1|2,0,0]=4 1671 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)S2 PI-45345 [0,0,0,1,0,1|1,1,0]=4 1672 B12R2.606 C1=CC2=C(C=C1Br)SC(=O)N2 PI-45346 [0,0,0,1,0,1|2,0,0]=4 1673 B12R2.606 C1=CC2=C(C=C1Cl)N=C(O2)N PI-30784 [0,0,0,1,0,1|2,0,0]=4 1674 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 PI-12815 [0,0,0,1,0,1|1,1,0]=4 1675 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 PI-12045 [0,0,0,1,0,1|2,0,0]=4 1676 B12R2.606 C1=CC2=C(C=C1Cl)SC(=O)N2 PI-45343 [0,0,0,1,0,1|2,0,0]=4 1677 B12R2.606 C1=CC2=C(C=C1F)NC(=O)S2 PI-45348 [0,0,0,1,0,1|1,1,0]=4 1678 B12R2.606 C1=CC2=C(C=C1F)SC(=O)N2 PI-45349 [0,0,0,1,0,1|2,0,0]=4 1679 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 PI-28900 [0,0,0,1,0,1|2,0,0]=4 1680 B12R2.606 C1=CC2=C(C=C1N)SC(=O)N2 PI-45354 [0,0,0,1,0,1|2,0,0]=4 1681 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [0,0,0,1,0,1|2,0,0]=4 1682 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,0,0,1,0,1|2,0,0]=4 1683 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [0,0,0,1,0,1|2,0,0]=4 1684 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [0,0,0,1,0,1|2,0,0]=4 1685 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [0,0,0,1,0,1|2,0,0]=4 1686 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [0,0,0,1,0,1|2,0,0]=4 1687 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 PI-45351 [0,0,0,1,0,1|2,0,0]=4 1688 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)C PI-28651 [0,0,0,1,0,1|2,0,0]=4 1689 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [0,0,0,1,0,1|2,0,0]=4 1690 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)Cl PI-13544 [0,0,0,1,0,1|2,0,0]=4 1691 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O PI-34999 [0,0,0,1,0,1|1,0,0]=3 1692 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [0,0,0,1,0,1|2,0,0]=4 1693 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [0,0,0,1,0,1|2,0,0]=4 1694 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [0,0,0,1,0,1|2,0,0]=4 1695 B12R2.606 O=C1NC2=CC(F)=CC=C2N1 PI-46692 [0,0,0,1,0,1|2,0,0]=4 1696 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [0,0,0,1,0,1|2,0,0]=4 1697 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [0,0,0,1,0,1|2,0,0]=4 1698 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [0,0,0,1,0,1|2,0,0]=4 1699 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [0,0,0,1,0,1|1,0,0]=3 1700 B12R2.606 O=C1Oc2c(C1)cc(cc2)O PI-30406 [0,0,0,1,0,1|0,0,0]=2 1701 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 PI-34883 [0,0,0,1,0,1|0,1,0]=3 1702 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O PI-40929 [0,1,0,1,0,0|1,0,0]=3 1703 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [0,1,0,1,0,0|2,0,0]=4 1704 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [0,1,0,1,0,0|1,0,0]=3 1705 B12R2.132 Brc1ccc2c(c1)C(=O)NC2 PI-39244 [0,1,0,1,0,0|2,0,0]=4 1706 B12R2.132 C1C2=C(C=C(C=C2)N)C(=O)O1 PI-30728 [0,1,0,1,0,0|1,0,0]=3 1707 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [0,1,0,1,0,0|2,0,0]=4 1708 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [0,1,0,1,0,0|2,0,0]=4 1709 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [0,1,0,1,0,0|1,0,0]=3 1710 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,1,0,1,0,0|2,0,0]=4 1711 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,1,0,1,0,0|2,0,0]=4 1712 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,1,0,1,0,0|1,0,0]=3 1713 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [0,1,0,1,0,0|2,0,0]=4 1714 B12R2.196 BrC1=C2C(C(CS2)=O)=CC=C1 PI-38352 [0,1,0,1,0,0|1,1,0]=4 1715 B12R2.196 C1C(=O)C2=C(O1)C(=CC=C2)I PI-32748 [0,1,0,1,0,0|1,0,0]=3 1716 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [0,1,0,1,0,0|2,0,0]=4 1717 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,1,0,1,0,0|2,0,0]=4 1718 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)I PI-32731 [0,1,0,1,0,0|2,0,0]=4 1719 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O PI-40573 [0,1,0,1,0,0|1,0,0]=3 1720 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [0,1,0,1,0,0|2,0,0]=4 1721 B12R2.196 O=C1CCc2c1cccc2Br PI-21520 [0,1,0,1,0,0|2,0,0]=4 1722 B12R2.196 O=C1COc2c1cccc2Br PI-32747 [0,1,0,1,0,0|1,0,0]=3 1723 B8R1.1 Brc1cc(oc1)C=O PI-21495 [1,0,0,0,1,0|2,0,0]=4 1724 B8R1.1 Brc1cc(sc1)C=O PI-16278 [1,0,0,0,1,0|2,0,0]=4 1725 B8R1.1 Brc1ccc(C=O)o1 PI-31098 [1,0,0,0,1,0|2,0,0]=4 1726 B8R1.1 Brc1ccc(C=O)s1 PI-35909 [1,0,0,0,1,0|2,0,0]=4 1727 B8R1.1 C1=C(OC(=C1)I)C=O PI-31133 [1,0,0,0,1,0|2,0,0]=4 1728 B8R1.1 C1=C(SC(=C1)Cl)C=O PI-30886 [1,0,0,0,1,0|2,0,0]=4 1729 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [1,0,0,0,1,0|2,0,0]=4 1730 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [1,0,0,0,1,0|2,0,0]=4 1731 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [1,0,0,0,1,0|2,0,0]=4 1732 B8R1.11 Brc1cscc1C=O PI-36834 [1,0,0,0,1,0|2,0,0]=4 1733 B8R1.11 C1=CSC(=C1Br)C=O PI-22616 [1,0,0,0,1,0|2,0,0]=4 1734 B8R1.11 C1=CSC(=C1Cl)C=O PI-42060 [1,0,0,0,1,0|2,0,0]=4 1735 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [1,0,0,0,1,0|2,0,0]=4 1736 B8R1.11 CN1C=CC=C1C=O PI-33707 [1,0,0,0,1,0|2,0,0]=4 1737 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [1,0,0,0,1,0|2,0,0]=4 1738 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [1,0,0,0,1,0|2,0,0]=4 1739 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [1,0,0,0,1,0|2,0,0]=4 1740 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [1,0,0,0,1,0|2,0,0]=4 1741 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [1,0,0,0,1,0|1,0,0]=3 1742 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [1,0,0,0,1,0|1,0,0]=3 1743 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [1,0,0,0,1,0|2,0,0]=4 1744 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [1,0,0,0,1,0|2,0,0]=4 1745 B8R1.7 C1=COC=C1C(=O)O PI-16502 [1,0,0,0,1,0|1,0,0]=3 1746 B8R1.7 C1=CON=C1C(=O)O PI-48871 [1,0,0,0,1,0|2,0,0]=4 1747 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [1,0,0,0,1,0|2,0,0]=4 1748 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [1,0,0,0,1,0|1,0,1]=4 1749 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,0,0,0,1,0|2,0,0]=4 1750 B8R1.7 CC(=O)c1cscc1 PI-16499 [1,0,0,0,1,0|2,0,0]=4 1751 B8R1.7 ClC(=O)c1cscc1 PI-10762 [1,0,0,0,1,0|2,0,0]=4 1752 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [1,0,0,0,1,0|2,0,0]=4 1753 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [1,0,0,0,1,0|2,0,0]=4 1754 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [1,0,0,0,1,0|1,0,0]=3 1755 B8R1.7 OC(=O)c1cccs1 PI-38239 [1,0,0,0,1,0|1,0,0]=3 1756 B8R1.7 OC(=O)c1ccno1 PI-29335 [1,0,0,0,1,0|2,0,0]=4 1757 B8R1.7 OC(=O)c1cocn1 PI-43182 [1,0,0,0,1,0|2,0,0]=4 1758 B8R1.7 OC(=O)c1cscc1 PI-10764 [1,0,0,0,1,0|1,0,0]=3 1759 B8R1.7 OC(=O)c1cscn1 PI-28011 [1,0,0,0,1,0|2,0,0]=4 1760 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,0,0,0,0,1|1,0,1]=4 1761 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [1,0,0,0,0,1|2,0,0]=4 1762 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,0,0,0,0,1|1,0,0]=3 1763 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,0,0,0,0,1|1,0,0]=3 1764 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,0,0,0,0,1|2,0,0]=4 1765 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,0,0,0,0,1|1,0,0]=3 1766 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,0,0,0,0,1|1,0,0]=3 1767 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,0,0,0,0,1|2,0,0]=4 1768 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,0,0,0,0,1|2,0,0]=4 1769 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,0,0,0,0,1|2,0,0]=4 1770 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,0,0,0,0,1|2,0,0]=4 1771 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,0,0,0,0,1|2,0,0]=4 1772 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,0,0,0,0,1|2,0,0]=4 1773 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [1,0,0,0,0,1|1,1,0]=4 1774 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,0,0,0,0,1|2,0,0]=4 1775 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,0,0,0,0,1|1,0,0]=3 1776 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [1,0,0,0,0,1|1,0,0]=3 1777 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [1,0,0,0,0,1|2,0,0]=4 1778 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,0,0,0,0,2|1,0,0]=3 1779 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [0,0,0,0,0,2|1,0,0]=3 1780 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [0,0,0,0,0,2|1,0,0]=3 1781 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [0,0,0,0,0,2|0,0,0]=2 1782 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [0,0,0,0,0,2|0,0,0]=2 1783 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [0,0,0,0,0,2|1,0,0]=3 1784 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [0,0,0,0,0,2|1,0,0]=3 1785 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [0,0,0,0,0,2|1,0,0]=3 1786 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [0,0,0,0,0,2|1,0,0]=3 1787 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [0,0,0,0,0,2|1,0,0]=3 1788 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [0,0,0,0,0,2|1,0,0]=3