0 B11R1.3 B(C1=CC=C(C=C1)SC)(O)O PI-23605 [0,0,0,0,0,0|2,1,1]=4 1 B11R1.3 B(C1=CN=C(C=C1)OC)(O)O PI-25496 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 C#CC1=CC=C(C=C1)[N+](=O)[O-] PI-30982 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.3 C#Cc1ccc(cc1)N(C)C PI-30225 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.3 C1=CC(=CC=C1CN)[N+](=O)[O-] PI-41579 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 C1=CC(=NC=C1C(=O)O)NN PI-35028 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.3 C1=CC(=NC=C1C=O)C(=O)O PI-43981 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.3 CC(C)C1=CC=C(C=C1)C#C PI-30350 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,0,0,0,0,0|0,1,0]=1 18 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,0,0,0,0,0|0,0,2]=2 19 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.3 CCc1ccc(cc1)B(O)O PI-28704 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] PI-26020 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [0,0,0,0,0,0|1,0,0]=1 28 B11R1.3 COC1=NC=C(C=C1)C(=S)N PI-26214 [0,0,0,0,0,0|2,1,0]=3 29 B11R1.3 COC1=NC=C(C=C1)[N+](=O)[O-] PI-16710 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.3 COc1ccc(cc1)B(O)O PI-11577 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.3 COc1ccc(cc1)C(=N)N PI-38826 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,0,0,0,0,0|1,0,0]=1 33 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [0,0,0,0,0,0|1,0,0]=1 34 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [0,0,0,0,0,0|1,0,1]=2 35 B11R1.3 COc1ccc(cn1)B(O)O PI-25217 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.3 COc1ncc(nc1)C(=O)O PI-38849 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] PI-12010 [0,0,0,0,0,0|2,1,0]=3 40 B11R1.3 C[C@@H](C1=CC=C(C=C1)C#N)O PI-49825 [0,0,0,0,0,0|2,0,2]=4 41 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,0,0,0,0,0|0,0,2]=2 42 B11R1.3 C[C@H](C1=CC=C(C=C1)C#N)O PI-49824 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.3 N#Cc1ccc(cc1)C(=O)Cl PI-20292 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.3 N#Cc1ccc(cc1)[N+](=O)[O-] PI-10999 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.3 NC(=O)C1=CC=C(C=C1)C#N PI-30451 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.3 NCC1=CC=C([N+]([O-])=O)C=C1 PI-26234 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.3 NNc1ccc(cc1)C(C)C PI-29077 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.3 NNc1ccc(cc1)C(C)C PI-29812 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.3 NNc1ccc(cc1)[N+](=O)[O-] PI-15513 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.3 NNc1ccc(cc1)[N+](=O)[O-] PI-16510 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.3 O=C(N)C1=CC=C(NN)C=C1 PI-41015 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,0,0,0,0,0|2,0,0]=2 55 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.3 O=Cc1ccc(cc1)N(C)C PI-32094 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.3 O=Cc1ccc(cc1)[N+](=O)[O-] PI-12008 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.3 OCc1ccc(cc1)[N+](=O)[O-] PI-32225 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.3 [C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-] PI-48992 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.3 C#CC1=CN=C(C=C1)C=O PI-48186 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.3 C1=CC(=CC=C1C=O)C#N PI-31014 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.3 CCC1=CC=C(C=C1)C#C PI-30582 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.3 CCC1=CC=C(C=C1)NN PI-50515 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.3 CNC1=CC=C(C=C1)C#N PI-35883 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [1,0,0,0,0,0|1,0,1]=3 72 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [1,0,0,0,0,0|0,1,1]=3 73 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [1,0,0,0,0,0|0,0,1]=2 74 B10R1.3 COC1=NC=C(C=C1)C=O PI-10317 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.3 COc1ccc(cc1)C#C PI-30919 [1,0,0,0,0,0|0,0,2]=3 76 B10R1.3 COc1ccc(cc1)C=C PI-34180 [1,0,0,0,0,0|0,0,1]=2 77 B10R1.3 COc1ccc(cc1)SC PI-12000 [1,0,0,0,0,0|1,0,0]=2 78 B10R1.3 COc1ccc(nc1)C=O PI-39039 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [1,0,0,0,0,0|0,1,2]=4 80 B10R1.3 CSC1=CC=C(C=C1)NN PI-29509 [1,0,0,0,0,0|2,1,0]=4 81 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [1,0,0,0,0,0|0,1,0]=2 82 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [1,0,0,0,0,0|1,0,1]=3 84 B10R1.3 NNc1ccc(cc1)OC PI-25299 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.3 NNc1ccc(nc1)OC PI-39209 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.3 O=Cc1ccc(C#C)cc1 PI-26824 [1,0,0,0,0,0|1,0,1]=3 87 B10R1.3 O=Cc1ccc(cc1)C=O PI-38472 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,0,0,0,0,0|1,1,0]=3 104 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [1,0,0,0,0,0|2,1,0]=4 106 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,0,0,0,0,0|1,1,1]=4 126 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,0,0,0,0,0|1,0,2]=4 128 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,0,0,0,0,0|1,0,2]=4 130 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,0,0,0,0,0|0,0,0]=1 131 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,0,0,0,0,0|1,0,2]=4 132 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,0,0,0,0,0|0,0,0]=1 134 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,0,0,0,0,0|1,0,0]=2 135 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,0,0,0,0,0|1,1,0]=3 136 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,0,0,0,0,0|0,0,2]=3 137 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,0,0,0,0,0|0,0,2]=3 138 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,0,0,0,0,0|0,0,2]=3 139 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,0,0,0,0,0|1,0,0]=2 140 B10R1.13 CC1=NC=C(C=C1)[N+](=O)[O-] PI-24226 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,0,0,0,0,0|2,1,0]=4 143 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,0,0,0,0,0|1,0,2]=4 145 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,0,0,0,0,0|1,0,2]=4 147 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,0,0,0,0,0|0,0,2]=3 149 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,0,0,0,0,0|1,0,2]=4 150 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,0,0,0,0,0|1,0,1]=3 151 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [1,0,0,0,0,0|2,0,0]=3 157 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,0,0,0,0,0|1,0,0]=2 158 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,0,0,0,0,0|2,0,0]=3 160 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,0,0,0,0,0|1,0,2]=4 161 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [1,0,0,0,0,0|2,1,0]=4 165 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,0,0,0,0,0|1,1,0]=3 166 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [1,0,0,0,0,0|2,1,0]=4 179 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [1,0,0,0,0,0|2,0,1]=4 180 B12R1.5 BrCc1ccc(cc1)C(=O)OC PI-31123 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O PI-27217 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.5 C1=CC(=CC=C1C#N)C(=O)CBr PI-20520 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.5 C1=CC(=CC=C1C#N)C(=O)NN PI-44788 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.5 CCC(=O)c1ccc(cc1)OC PI-11534 [0,1,0,0,0,0|0,0,0]=1 185 B12R1.5 CCC1=CC=C(C=C1)C(=O)NN PI-19800 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.5 CC[N+]1=CC=C(C=C1)C(=O)OC PI-17154 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C PI-46518 [0,1,0,0,0,0|1,0,1]=3 188 B12R1.5 COC(=O)C1=CC=C(C=C1)CCl PI-24334 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.5 COC(=O)C1=CC=C(C=C1)CO PI-50464 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O PI-48291 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O PI-44040 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.5 COC(=O)c1ccc(cc1)C#N PI-31024 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.5 COC(=O)c1ccc(cc1)NC PI-30237 [0,1,0,0,0,0|1,0,0]=2 194 B12R1.5 COC(C1=CN=C(C=C1)CO)=O PI-33159 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr PI-13027 [0,1,0,0,0,0|0,0,0]=1 196 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl PI-30325 [0,1,0,0,0,0|0,0,0]=1 197 B12R1.5 COC1=CC=C(C=C1)C(=O)CN PI-30558 [0,1,0,0,0,0|0,0,0]=1 198 B12R1.5 COC1=CC=C(C=C1)C(=O)CO PI-29587 [0,1,0,0,0,0|0,0,0]=1 199 B12R1.5 COC1=CC=C(C=C1)C(=O)NN PI-29486 [0,1,0,0,0,0|1,0,0]=2 200 B12R1.5 COC1=CC=C(C=C1)C(=O)OC PI-31766 [0,1,0,0,0,0|0,0,0]=1 201 B12R1.5 COC1=NC=C(N=C1)C(=O)OC PI-50193 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 PI-11559 [0,1,0,0,0,0|1,0,0]=2 203 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)O PI-45415 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.6 CCc1ccc(cc1)S(=O)(=O)Cl PI-33423 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)Cl PI-24684 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.6 COc1ccc(cc1)C(F)(F)F PI-28506 [0,1,0,0,0,0|2,0,1]=4 207 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O PI-25652 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CCl PI-14891 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.6 NCc1ccc(cc1)S(=O)(=O)C PI-38598 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.48 B(C1=CC(=C(C=C1)OC)C)(O)O PI-19231 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.48 B(C1=CC(=C(C=C1)OC)Cl)(O)O PI-49984 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.48 B(C1=CC(=C(C=C1)OC)F)(O)O PI-31069 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl PI-30545 [0,1,0,0,0,0|0,0,0]=1 214 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)I PI-30933 [0,1,0,0,0,0|0,0,0]=1 215 B12R1.48 CC1=C(C=CC(=C1)[N+](=O)[O-])NC PI-26043 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.48 CC1=CC(=CN=C1OC)[N+](=O)[O-] PI-33752 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)O PI-27034 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.48 CCc1ccc(cc1N)[N+](=O)[O-] PI-38842 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.48 CNC1=C(C=C(C=C1)[N+](=O)[O-])N PI-48744 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F PI-23716 [0,1,0,0,0,0|1,0,0]=2 221 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N PI-11538 [0,1,0,0,0,0|1,0,0]=2 222 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br PI-30998 [0,1,0,0,0,0|1,0,0]=2 223 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F PI-13362 [0,1,0,0,0,0|1,0,0]=2 224 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N PI-30426 [0,1,0,0,0,0|1,0,0]=2 225 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O PI-10869 [0,1,0,0,0,0|1,0,0]=2 226 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Br PI-22191 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-29624 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])F PI-28551 [0,1,0,0,0,0|2,0,0]=3 229 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])[O-] PI-27834 [0,1,0,0,0,0|2,0,0]=3 230 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)F PI-50022 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.48 COC1=C(N=C(C=C1)[N+](=O)[O-])Br PI-39625 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.48 COc1ccc(cc1Br)C(=O)C PI-21565 [0,1,0,0,0,0|0,0,0]=1 233 B12R1.48 COc1ccc(cc1Cl)C(=O)O PI-30550 [0,1,0,0,0,0|1,0,0]=2 234 B12R1.48 COc1ccc(cc1F)C(=O)C PI-16157 [0,1,0,0,0,0|0,0,0]=1 235 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] PI-13703 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] PI-15695 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.48 COc1ccc(nc1Br)C(=O)O PI-38347 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.48 O=C(O)C1=CC=C(C#N)C(F)=C1 PI-37119 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.48 O=C(O)C1=CC=C(C=O)C(O)=C1 PI-33362 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.113 B(C1=CC=C(C=C1)OCC)(O)O PI-29355 [0,1,0,0,0,0|2,0,1]=4 241 B12R1.113 BrCCc1ccc(cc1)[N+](=O)[O-] PI-28623 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.113 C1=CC(=CC=C1C(=O)O)N=C=S PI-23095 [0,1,0,0,0,0|2,0,1]=4 243 B12R1.113 C1=CC(=CC=C1CCN)[N+](=O)[O-] PI-44091 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.113 C1=CC(=CC=C1CON)[N+](=O)[O-] PI-26285 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.113 CC(=O)C1=CC=C(C=C1)CCBr PI-29574 [0,1,0,0,0,0|1,0,0]=2 246 B12R1.113 CC(=O)C1=CC=C(C=C1)CCCl PI-29851 [0,1,0,0,0,0|1,0,0]=2 247 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C PI-12355 [0,1,0,0,0,0|1,0,0]=2 248 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C PI-12228 [0,1,0,0,0,0|0,0,0]=1 249 B12R1.113 CCOC1=CC=C(C=C1)C(=O)Cl PI-25220 [0,1,0,0,0,0|1,0,0]=2 250 B12R1.113 CCOC1=CC=C(C=C1)C(=O)N PI-25676 [0,1,0,0,0,0|1,0,0]=2 251 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O PI-50295 [0,1,0,0,0,0|1,0,0]=2 252 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O PI-49822 [0,1,0,0,0,0|0,0,2]=3 253 B12R1.113 CCOC1=NC=C(C=C1)[N+](=O)[O-] PI-33886 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.113 CNCC1=CC=C(C=C1)[N+](=O)[O-] PI-26258 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.113 COCc1ccc(cc1)B(O)O PI-36858 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.113 NCCc1ccc(cc1)[N+](=O)[O-] PI-12152 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.113 O=C=Nc1ccc(cc1)C(=O)C PI-29630 [0,1,0,0,0,0|1,0,1]=3 258 B12R1.113 OCCc1ccc(cc1)[N+](=O)[O-] PI-28018 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O PI-16433 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.256 C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-] PI-50443 [0,1,0,0,0,0|3,0,0]=4 261 B12R1.256 CC(=C)C1=CC=C(C=C1)C(=C)C PI-50178 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C PI-29027 [0,1,0,0,0,0|1,0,0]=2 263 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C PI-29338 [0,1,0,0,0,0|1,0,0]=2 264 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O PI-10308 [0,1,0,0,0,0|2,0,0]=3 265 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C PI-12756 [0,1,0,0,0,0|1,0,0]=2 266 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O PI-10224 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)C PI-44046 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.256 CC(C1=CC=C(C=C1)C(=O)N)O PI-44117 [0,1,0,0,0,0|2,0,0]=3 269 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N PI-26310 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N PI-26626 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C PI-30028 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.256 CN(c1ccc(cc1)C(=O)O)C PI-33461 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.256 CN(c1ccc(cc1)N(C)C)C PI-30819 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.256 C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O PI-49812 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C PI-46040 [0,1,0,0,0,0|2,1,0]=4 276 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C PI-50095 [0,1,0,0,0,0|2,1,0]=4 277 B12R1.256 NC(=N)c1ccc(cc1)C(=O)N PI-30758 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.256 NC(=O)c1ccc(cc1)C(=O)O PI-24516 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.256 N[C@H](C)C1=CC=C([N+]([O-])=O)C=C1 PI-26752 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.256 OB(c1ccc(cc1)C(=O)N)O PI-25096 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.256 OB(c1ccc(cc1)C(=O)O)O PI-10310 [0,1,0,0,0,0|3,0,0]=4 282 B12R1.452 B(C1=C(C=C(C=C1)OC)Cl)(O)O PI-40453 [0,1,0,0,0,0|2,0,1]=4 283 B12R1.452 B(C1=C(C=C(C=C1)OC)F)(O)O PI-27223 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.452 C1=CC(=C(C=C1C#N)F)C(=O)O PI-20302 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC PI-41092 [0,1,0,0,0,0|1,0,0]=2 286 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F PI-12716 [0,1,0,0,0,0|0,0,0]=1 287 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N PI-30608 [0,1,0,0,0,0|0,0,0]=1 288 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O PI-11034 [0,1,0,0,0,0|0,0,0]=1 289 B12R1.452 CC1=C(C=CC(=C1)OC)[N+](=O)[O-] PI-26719 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.452 CC1=C(C=CC(=N1)OC)[N+](=O)[O-] PI-44985 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl PI-33352 [0,1,0,0,0,0|1,0,0]=2 292 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I PI-50080 [0,1,0,0,0,0|1,0,0]=2 293 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O PI-10049 [0,1,0,0,0,0|1,0,0]=2 294 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])F PI-29599 [0,1,0,0,0,0|2,0,0]=3 295 B12R1.452 COC1=NC(=C(C=C1)[N+](=O)[O-])Cl PI-13107 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.452 COC1=NC(=C(C=C1)[N+](=O)[O-])N PI-16719 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.452 COc1ccc(C(=O)N)c(O)c1 PI-32435 [0,1,0,0,0,0|1,0,0]=2 298 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] PI-36894 [0,1,0,0,0,0|2,0,0]=3 299 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] PI-29347 [0,1,0,0,0,0|2,0,0]=3 300 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] PI-29863 [0,1,0,0,0,0|2,0,0]=3 301 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Cl)[O-] PI-41816 [0,1,0,0,0,0|2,0,0]=3 302 B12R1.452 OB(C1=CC=C(OC)C=C1C)O PI-25327 [0,1,0,0,0,0|2,0,1]=4 303 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O PI-40929 [0,0,0,1,0,0|2,0,0]=3 304 B10R1.31 CC(=O)C1=CC=C(S1)C#N PI-26965 [0,0,0,0,1,0|3,0,0]=4 305 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [0,0,0,0,1,0|3,0,0]=4 306 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [0,0,0,0,1,0|2,1,0]=4 307 B12R1.4 C1=CC(=CC=C1CC(=O)O)CBr PI-30129 [0,0,0,0,0,1|3,0,0]=4 308 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N PI-10998 [0,0,0,0,0,1|2,0,0]=3 309 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O PI-10856 [0,0,0,0,0,1|2,0,0]=3 310 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl PI-26732 [0,0,0,0,0,1|2,0,0]=3 311 B12R1.4 CC(=O)NC1=CC=C(C=C1)SC PI-26041 [0,0,0,0,0,1|0,1,0]=2 312 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C PI-26362 [0,0,0,0,0,1|1,0,1]=3 313 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O PI-27962 [0,0,0,0,0,1|2,0,0]=3 314 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,0,0,0,0,1|1,0,1]=3 315 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C PI-26566 [0,0,0,0,0,1|1,0,0]=2 316 B12R1.4 CCc1ccc(cc1)CC(=O)C PI-15443 [0,0,0,0,0,1|1,0,0]=2 317 B12R1.4 COC1=CC=C(C=C1)CC(=O)Cl PI-46936 [0,0,0,0,0,1|1,0,0]=2 318 B12R1.4 COc1ccc(cc1)CC(=O)C PI-12198 [0,0,0,0,0,1|0,0,0]=1 319 B12R1.4 COc1ccc(cc1)CC(=O)O PI-22754 [0,0,0,0,0,1|1,0,0]=2 320 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O PI-30187 [0,0,0,0,0,1|1,1,0]=3 321 B12R1.4 OCc1ccc(cc1)CC(=O)O PI-30890 [0,0,0,0,0,1|3,0,0]=4 322 B12R1.4 OCc1ccc(cc1)NC(=O)C PI-26188 [0,0,0,0,0,1|2,0,0]=3 323 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [2,0,0,0,0,0|1,0,0]=3 324 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [2,0,0,0,0,0|1,0,0]=3 325 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [2,0,0,0,0,0|1,0,1]=4 326 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [2,0,0,0,0,0|1,0,0]=3 329 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [2,0,0,0,0,0|1,0,1]=4 330 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [2,0,0,0,0,0|1,0,1]=4 331 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [2,0,0,0,0,0|1,0,1]=4 332 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [2,0,0,0,0,0|1,0,1]=4 333 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [2,0,0,0,0,0|0,0,2]=4 334 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [2,0,0,0,0,0|1,0,1]=4 335 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [2,0,0,0,0,0|1,0,0]=3 336 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [2,0,0,0,0,0|1,0,1]=4 337 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [2,0,0,0,0,0|1,0,1]=4 338 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [2,0,0,0,0,0|1,0,1]=4 339 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [2,0,0,0,0,0|0,1,1]=4 340 B9R1.1 CCc1ccc(C)cc1 PI-36542 [2,0,0,0,0,0|0,0,1]=3 341 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.1 CNc1ccc(cc1)Br PI-21585 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [2,0,0,0,0,0|1,0,0]=3 345 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [2,0,0,0,0,0|0,1,0]=3 346 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.1 COc1cc[n+]([O-])cc1 PI-26063 [2,0,0,0,0,0|1,0,1]=4 349 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.1 COc1ccc(N)cn1 PI-16695 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.1 COc1ccc(O)cn1 PI-26700 [2,0,0,0,0,0|1,0,1]=4 352 B9R1.1 COc1ccc(cc1)Br PI-34196 [2,0,0,0,0,0|1,0,0]=3 353 B9R1.1 COc1ccc(cc1)I PI-33808 [2,0,0,0,0,0|1,0,0]=3 354 B9R1.1 COc1ccc(cc1)O PI-31355 [2,0,0,0,0,0|0,0,1]=3 355 B9R1.1 COc1ccc(cn1)Br PI-22840 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [2,0,0,0,0,0|1,1,0]=4 357 B9R1.1 CSc1ccc(cc1)O PI-18075 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [2,0,0,0,0,0|1,0,1]=4 359 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [2,0,0,0,0,0|1,1,0]=4 360 B9R1.1 NNc1ccc(C)cc1 PI-13126 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [2,0,0,0,0,0|1,0,0]=3 364 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [2,0,0,0,0,0|1,0,0]=3 365 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [2,0,0,0,0,0|0,0,0]=2 366 B9R1.1 OCc1ccc(cc1)O PI-29788 [2,0,0,0,0,0|0,0,2]=4 367 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [2,0,0,0,0,0|1,0,0]=3 370 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [2,0,0,0,0,0|1,0,0]=3 375 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.6 CC(=O)c1cccnc1 PI-32250 [2,0,0,0,0,0|1,0,0]=3 379 B9R1.6 CC(=O)c1ccncc1 PI-38297 [2,0,0,0,0,0|1,0,0]=3 380 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [2,0,0,0,0,0|1,0,1]=4 381 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [2,0,0,0,0,0|0,0,2]=4 383 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [2,0,0,0,0,0|1,0,1]=4 384 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [2,0,0,0,0,0|1,0,1]=4 385 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [2,0,0,0,0,0|0,0,2]=4 386 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [2,0,0,0,0,0|1,1,0]=4 387 B9R1.6 NC(=N)c1ccccc1 PI-30200 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.6 NC(=O)c1cccnc1 PI-12870 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.6 NC(=S)c1ccccc1 PI-29356 [2,0,0,0,0,0|1,1,0]=4 390 B9R1.6 OC(=O)c1cccnc1 PI-15824 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [2,0,0,0,0,0|2,0,0]=4 392 B11R1.83 CCCC1=CC=C(C=C1)C=O PI-27431 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.83 CCCC1=NC=C(C=C1)C=O PI-44043 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.83 CCOC1=CC=C(C=C1)C#C PI-30939 [1,1,0,0,0,0|0,0,2]=4 395 B11R1.83 CCOC1=CC=C(C=C1)C#N PI-50300 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.83 CCOC1=CC=C(C=C1)C=O PI-50245 [1,1,0,0,0,0|0,0,0]=2 397 B11R1.83 CCSC1=CC=C(C=C1)C=O PI-27942 [1,1,0,0,0,0|0,1,0]=3 398 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [1,1,0,0,0,0|0,0,2]=4 399 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [1,1,0,0,0,0|0,0,1]=3 400 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [1,1,0,0,0,0|0,0,2]=4 402 B11R1.83 COCc1ccc(cc1)OC PI-35666 [1,1,0,0,0,0|0,0,1]=3 403 B11R1.83 COc1ccc(cc1)N=C=O PI-39302 [1,1,0,0,0,0|0,0,1]=3 404 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [1,1,0,0,0,0|0,0,1]=3 405 B11R1.279 C1=CC(=C(C=C1C#N)F)C=O PI-26050 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.279 CC1=C(C=CC(=C1)C=O)OC PI-16554 [1,1,0,0,0,0|0,0,0]=2 407 B11R1.279 CC1=C(C=CC(=C1)OC)C#C PI-19876 [1,1,0,0,0,0|0,0,2]=4 408 B11R1.279 CC1=C(C=CC(=C1)OC)C=O PI-27668 [1,1,0,0,0,0|0,0,0]=2 409 B11R1.279 CC1=C(C=CC(=C1)OC)NN PI-29977 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.279 CC1=C(C=CC(=C1)OC)OC PI-33344 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.279 COC1=C(C=C(C=C1)C#N)Cl PI-19025 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.279 COC1=C(C=C(C=C1)C#N)F PI-10704 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.279 COC1=C(C=C(C=C1)C#N)O PI-34038 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.279 COC1=C(C=C(C=C1)C=O)Br PI-18486 [1,1,0,0,0,0|0,0,0]=2 415 B11R1.279 COC1=C(C=C(C=C1)C=O)F PI-28427 [1,1,0,0,0,0|0,0,0]=2 416 B11R1.279 COC1=C(C=C(C=C1)C=O)O PI-15305 [1,1,0,0,0,0|0,0,0]=2 417 B11R1.279 COC1=C(C=C(C=C1)CBr)F PI-23718 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.279 COC1=C(C=C(C=C1)CN)Cl PI-30601 [1,1,0,0,0,0|1,0,1]=4 419 B11R1.279 COC1=CC(=C(C=C1)C#N)F PI-10454 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.279 COC1=CC(=C(C=C1)C=O)F PI-28394 [1,1,0,0,0,0|0,0,0]=2 421 B11R1.279 COC1=CC(=C(C=C1)OC)Br PI-21654 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.279 COc1ccc(C=O)c(O)c1 PI-31262 [1,1,0,0,0,0|0,0,0]=2 423 B11R1.279 COc1ccc(OC)c(F)c1 PI-21289 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.279 COc1ccc(OC)c(O)c1 PI-32412 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.279 COc1ccc(OC)c(S)c1 PI-21302 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.279 ClCc1ccc(OC)c(F)c1 PI-16369 [1,1,0,0,0,0|1,0,1]=4 427 B11R1.279 NCc1ccc(c(c1)Cl)OC PI-37600 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.279 O=CC1=CN=C(OC)C(F)=C1 PI-46768 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.19 Brc1ccc(cc1)S(=O)(=O)C PI-22518 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C PI-31987 [1,1,0,0,0,0|1,0,1]=4 431 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C PI-25437 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)F PI-24422 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-48935 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-49467 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] PI-18245 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] PI-30710 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.19 CC1=CC=C(S(=O)([O-])=O)C=C1 PI-10885 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N PI-12897 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O PI-37598 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] PI-23777 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O PI-41319 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.19 O=S(C1=CC=C(F)C=C1)(C)=O PI-29606 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.19 Oc1ccc(cc1)S(=O)(=O)C PI-27192 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.19 Oc1ccc(cc1)S(=O)(=O)Cl PI-39391 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.19 Oc1ccc(cc1)S(=O)(=O)N PI-20732 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1F)C PI-16887 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Br)F PI-14433 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F PI-34234 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)F)F PI-32220 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.21 C1=CC(=C(C=C1C(=O)N)O)O PI-11250 [1,1,0,0,0,0|1,0,0]=3 455 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])I)O PI-29966 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [1,1,0,0,0,0|0,0,0]=2 475 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [1,1,0,0,0,0|0,0,0]=2 476 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [1,1,0,0,0,0|0,0,0]=2 477 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [1,1,0,0,0,0|0,0,0]=2 478 B11R1.21 CC(c1ccc(c(c1)N)C)C PI-19295 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F PI-23735 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [1,1,0,0,0,0|0,0,0]=2 481 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [1,1,0,0,0,0|0,0,0]=2 482 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-34331 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I PI-26904 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O PI-28629 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F PI-23750 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)Br PI-30206 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N PI-35808 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])O PI-42105 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.21 O=C(N)C1=CC=C(F)C(C)=C1 PI-23732 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.21 O=C(N)C1=CC=C(F)C(Cl)=C1 PI-20058 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.21 O=C(N)C1=CC=C(F)C(F)=C1 PI-30958 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.21 [O-][N+](=O)c1ccc(O)c(Br)c1 PI-29720 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.21 [O-][N+](=O)c1ccc(O)c(F)c1 PI-28507 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Br)C PI-11805 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Cl)O PI-29782 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.21 [O-][N+](=O)c1ccc(c(c1)N)O PI-26997 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.22 BrC1=CC=C(C(CBr)=O)C=N1 PI-41793 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [1,1,0,0,0,0|1,0,1]=4 534 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [1,1,0,0,0,0|1,0,1]=4 535 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [1,1,0,0,0,0|0,0,0]=2 537 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [1,1,0,0,0,0|1,0,0]=3 538 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [1,1,0,0,0,0|0,0,0]=2 543 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [1,1,0,0,0,0|1,0,0]=3 544 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [1,1,0,0,0,0|1,0,0]=3 551 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [1,1,0,0,0,0|1,0,1]=4 553 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [1,1,0,0,0,0|0,0,0]=2 554 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [1,1,0,0,0,0|0,0,0]=2 555 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [1,1,0,0,0,0|0,0,0]=2 557 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [1,1,0,0,0,0|1,0,0]=3 559 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [1,1,0,0,0,0|1,0,1]=4 566 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [1,1,0,0,0,0|1,0,0]=3 568 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.22 NNC(=O)c1ccc(C)nc1 PI-24807 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [1,1,0,0,0,0|1,0,1]=4 575 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [1,1,0,0,0,0|1,0,0]=3 576 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N PI-30371 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)Cl PI-11845 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N PI-35500 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl PI-20069 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)N PI-20057 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl PI-14894 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N PI-31316 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [1,1,0,0,0,0|2,0,0]=4 594 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.166 C1=CC(=C(C=C1O)Cl)[N+](=O)[O-] PI-35943 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 PI-11037 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [1,1,0,0,0,0|1,0,0]=3 600 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [1,1,0,0,0,0|1,0,0]=3 602 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [1,1,0,0,0,0|0,0,0]=2 608 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [1,1,0,0,0,0|0,0,0]=2 609 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [1,1,0,0,0,0|0,0,0]=2 610 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)Cl PI-39384 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [1,1,0,0,0,0|0,0,0]=2 614 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-12007 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [1,1,0,0,0,0|0,0,0]=2 616 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [1,1,0,0,0,0|1,0,0]=3 618 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [1,1,0,0,0,0|1,0,0]=3 619 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [1,1,0,0,0,0|1,0,0]=3 620 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Cl PI-16550 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F PI-10269 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])I PI-19675 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N PI-26762 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])O PI-28770 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O PI-13132 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O PI-18513 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [1,1,0,0,0,0|1,0,0]=3 630 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [1,1,0,0,0,0|1,0,0]=3 631 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [1,1,0,0,0,0|0,0,0]=2 632 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [1,1,0,0,0,0|1,0,1]=4 644 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [1,1,0,0,0,0|0,0,0]=2 645 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [1,1,0,0,0,0|1,0,0]=3 646 B11R1.166 Oc1ccc(c(c1)F)[N+](=O)[O-] PI-16955 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [1,1,0,0,0,0|1,0,0]=3 648 B11R1.124 CCOC1=CC=C(O1)C(=O)O PI-19066 [0,1,0,0,1,0|2,0,0]=4 649 B13R1.4 COC1=CC=C(C=C1)CS(=O)(=O)Cl PI-43973 [0,1,0,0,0,1|2,0,0]=4 650 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PI-27641 [0,1,0,0,0,1|2,0,0]=4 651 B13R1.5 COC(=O)CC1=CC=C(C=C1)C#N PI-50503 [0,1,0,0,0,1|2,0,0]=4 652 B13R1.5 COC(=O)CC1=CC=C(C=C1)CBr PI-43975 [0,1,0,0,0,1|2,0,0]=4 653 B13R1.5 COC(=O)CC1=CC=C(C=C1)CO PI-50593 [0,1,0,0,0,1|2,0,0]=4 654 B13R1.5 COC1=CC=C(C=C1)CC(=O)NN PI-50357 [0,1,0,0,0,1|1,0,0]=3 655 B13R1.5 COC1=CC=C(C=C1)CC(=O)OC PI-50355 [0,1,0,0,0,1|0,0,0]=2 656 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN PI-29569 [0,1,0,0,0,1|1,1,0]=4 657 B13R1.35 CC1=C(C=CC(=C1)CC(=O)O)OC PI-30633 [0,1,0,0,0,1|1,0,0]=3 658 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Br PI-21560 [0,1,0,0,0,1|1,0,0]=3 659 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F PI-23721 [0,1,0,0,0,1|1,0,0]=3 660 B13R1.35 COc1ccc(CC(=O)O)cc1O PI-20795 [0,1,0,0,0,1|1,0,0]=3 661 B13R1.36 CC(C(=O)C1=CC=C(C=C1)OC)Br PI-31563 [0,1,0,0,0,1|1,0,1]=4 662 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)N PI-36242 [0,1,0,0,0,1|1,0,0]=3 663 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)N PI-39650 [0,1,0,0,0,1|1,0,0]=3 664 B13R1.142 CC(=O)NC1=CC=C(C=C1)CC#N PI-26348 [0,1,0,0,0,1|1,0,1]=4 665 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O PI-30647 [0,1,0,0,0,1|1,0,0]=3 666 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C PI-49053 [0,1,0,0,0,1|0,0,0]=2 667 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N PI-50301 [0,1,0,0,0,1|1,0,0]=3 668 B13R1.585 CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] PI-30687 [0,1,0,0,0,1|2,0,0]=4 669 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(O)=O PI-34030 [0,1,0,0,0,1|2,0,0]=4 670 B13R1.585 CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] PI-26042 [0,1,0,0,0,1|2,0,0]=4 671 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C PI-26513 [0,1,0,0,0,1|1,0,0]=3 672 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)Cl PI-26185 [0,1,0,0,0,1|2,0,0]=4 673 B13R1.585 CC(=O)Nc1ccc(cc1)S(=O)[O-] PI-26180 [0,1,0,0,0,1|1,1,0]=4 674 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)O PI-32421 [0,1,0,0,0,1|2,0,0]=4 675 B13R1.585 CC(=O)Oc1ccc(cc1)[N+](=O)[O-] PI-10933 [0,1,0,0,0,1|2,0,0]=4 676 B13R1.585 CC(C)C1=CC=C(C=C1)CC(=O)O PI-30628 [0,1,0,0,0,1|2,0,0]=4 677 B13R1.585 CC(C)C1=CC=C(C=C1)OC(=O)C PI-22726 [0,1,0,0,0,1|1,0,0]=3 678 B13R1.585 O=C(O)C1=CC=C(NC(C)=O)C=C1 PI-38014 [0,1,0,0,0,1|2,0,0]=4 679 B13R1.585 OB(c1ccc(cc1)NC(=O)C)O PI-25026 [0,1,0,0,0,1|2,0,0]=4 680 B13R1.585 OC(=O)Cc1ccc(cc1)N(C)C PI-30208 [0,1,0,0,0,1|2,0,0]=4 681 B13R1.653 COc1ccc(CC(=O)O)c(Br)c1 PI-30839 [0,1,0,0,0,1|1,0,0]=3 682 B13R1.95 COc1ccc(C(=O)OC)c(O)c1 PI-10050 [0,2,0,0,0,0|0,0,0]=2 683 B13R1.139 CCCC1=CC=C(C=C1)C(=NO)C PI-30822 [0,2,0,0,0,0|1,0,1]=4 684 B13R1.139 CCOC1=CC=C(C=C1)C(=O)NN PI-50296 [0,2,0,0,0,0|1,0,0]=3 685 B13R1.139 CCOC1=CC=C(C=C1)C(=O)OC PI-25374 [0,2,0,0,0,0|0,0,0]=2 686 B13R1.139 COC(=O)C1=CC=C(C=C1)N=C=O PI-41820 [0,2,0,0,0,0|1,0,1]=4 687 B13R1.139 N#CCc1ccc(cc1)C(=O)OC PI-18888 [0,2,0,0,0,0|1,0,1]=4 688 B13R1.187 COC1=CC=C(C=C1)S(=O)(=O)NN PI-50363 [0,2,0,0,0,0|2,0,0]=4 689 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#N PI-18851 [0,2,0,0,0,0|2,0,0]=4 690 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C=C PI-49775 [0,2,0,0,0,0|1,0,1]=4 691 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr PI-22127 [0,2,0,0,0,0|2,0,0]=4 692 B13R1.452 CCOC(=O)c1ccc(OC)cc1 PI-31767 [0,2,0,0,0,0|0,0,0]=2 693 B13R1.452 CCOC(=O)c1ccc(cc1)CCl PI-24058 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N PI-29519 [0,2,0,0,0,0|0,0,0]=2 695 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl PI-12838 [0,2,0,0,0,0|0,0,0]=2 696 B13R1.452 COC1=CC=C(C=C1)C(CCO)N PI-30846 [0,2,0,0,0,0|1,0,1]=4 697 B13R1.537 BrCC(=O)c1ccc(cc1)N(C)C PI-38289 [0,2,0,0,0,0|1,0,0]=3 698 B13R1.537 C1=CC(=CC=C1C(=O)CBr)C(=O)O PI-41230 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.537 C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-] PI-12176 [0,2,0,0,0,0|2,0,0]=4 700 B13R1.537 CC(=O)C1=CC=C(C=C1)C(=O)OC PI-29513 [0,2,0,0,0,0|0,0,0]=2 701 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CBr PI-31562 [0,2,0,0,0,0|1,0,0]=3 702 B13R1.537 CCC(=O)C1=CC=C(C=C1)[N+](=O)[O-] PI-17061 [0,2,0,0,0,0|2,0,0]=4 703 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)NN PI-23371 [0,2,0,0,0,0|2,0,0]=4 704 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)Cl PI-17967 [0,2,0,0,0,0|1,0,0]=3 705 B13R1.537 COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] PI-50251 [0,2,0,0,0,0|2,0,0]=4 706 B13R1.537 COC(=O)C1=CN=C(C=C1)C(=O)O PI-33165 [0,2,0,0,0,0|2,0,0]=4 707 B13R1.537 COC(=O)c1ccc(cc1)B(O)O PI-25993 [0,2,0,0,0,0|2,0,0]=4 708 B13R1.537 COC(=O)c1ccc(cc1)C(=O)O PI-31083 [0,2,0,0,0,0|1,0,0]=3 709 B13R1.537 NCC(=O)c1ccc(cc1)[N+](=O)[O-] PI-18665 [0,2,0,0,0,0|2,0,0]=4 710 B13R1.3088 COC(=O)C1=CC(=C(C=C1)CBr)Cl PI-50478 [0,2,0,0,0,0|2,0,0]=4 711 B13R1.3088 COC(=O)C1=CN=C(OC)C(Br)=C1 PI-39699 [0,2,0,0,0,0|1,0,0]=3 712 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)Cl PI-30551 [0,2,0,0,0,0|0,0,0]=2 713 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)I PI-30513 [0,2,0,0,0,0|0,0,0]=2 714 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)N PI-10943 [0,2,0,0,0,0|0,0,0]=2 715 B13R1.3088 O=C(OC)C1=CN=C(OC)C(F)=C1 PI-46767 [0,2,0,0,0,0|1,0,0]=3 716 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)OC)Br PI-43954 [0,2,0,0,0,0|1,0,1]=4 717 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)OC)N PI-30512 [0,2,0,0,0,0|1,0,1]=4 718 B13R1.338 CC(=O)C1=CC=C(C=C1)C(F)(F)F PI-31279 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)C PI-10402 [0,2,0,0,0,0|0,1,0]=3 720 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl PI-29261 [0,2,0,0,0,0|1,1,0]=4 721 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-] PI-29777 [0,2,0,0,0,0|1,1,0]=4 722 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C PI-13220 [0,2,0,0,0,0|1,0,0]=3 723 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)N PI-30718 [0,2,0,0,0,0|2,0,0]=4 724 B13R1.338 CC(N)c1ccc(cc1)S(=O)(=O)C PI-24770 [0,2,0,0,0,0|2,0,0]=4 725 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)O PI-27572 [0,2,0,0,0,0|1,1,0]=4 726 B13R1.338 ClC(=O)c1ccc(cc1)C(C)(C)C PI-31768 [0,2,0,0,0,0|2,0,0]=4 727 B13R1.652 NC1=CC([N+]([O-])=O)=C(F)C=C1OC PI-41032 [0,2,0,0,0,0|2,0,0]=4 728 B13R1.3091 CC(=O)C1=CC(=C(C=C1)OC)CCl PI-20161 [0,2,0,0,0,0|0,0,0]=2 729 B13R1.3091 CC(=O)C1=CC(=C(C=C1)OC)OC PI-12802 [0,2,0,0,0,0|0,0,0]=2 730 B13R1.3091 CC(C)C1=CC(=C(C=C1)OC)C=O PI-27954 [0,2,0,0,0,0|1,0,1]=4 731 B13R1.3091 COC1=C(C=C(C=C1)C(=S)N)OC PI-23356 [0,2,0,0,0,0|1,1,0]=4 732 B13R1.3091 COC1=C(C=C(C=C1)[N+](=O)[O-])C=O PI-27397 [0,2,0,0,0,0|2,0,0]=4 733 B13R1.3091 COC1=C(C=C(C=C1)[N+](=O)[O-])CBr PI-26607 [0,2,0,0,0,0|2,0,0]=4 734 B13R1.3091 COC1=CC=C([N+]([O-])=O)C=C1OC PI-34326 [0,2,0,0,0,0|2,0,0]=4 735 B13R1.3091 COc1ccc(cc1OC)C(Cl)=O PI-23196 [0,2,0,0,0,0|1,0,0]=3 736 B13R1.3096 CC(=O)C1=C(C(=C(C=C1)OC)Cl)N PI-34740 [0,2,0,0,0,0|0,0,0]=2 737 B13R1.3096 CC1=C(C=CC(=C1C)OC)[N+](=O)[O-] PI-29926 [0,2,0,0,0,0|2,0,0]=4 738 B13R1.3096 COC1=C(C(=C(C=C1)[N+](=O)[O-])F)F PI-34342 [0,2,0,0,0,0|2,0,0]=4 739 B13R1.3096 COc1ccc(C(C)=O)c(O)c1O PI-29869 [0,2,0,0,0,0|0,0,0]=2 740 B13R1.3096 NC1=C(C=CC(=C1C)OC)C(C)=O PI-34741 [0,2,0,0,0,0|0,0,0]=2 741 B13R1.3380 CC1=CC(=CC(=C1OC)C)C(=O)O PI-23875 [0,2,0,0,0,0|1,0,0]=3 742 B13R1.3380 COc1c(C)cc(cc1C)C(=O)C PI-23872 [0,2,0,0,0,0|0,0,0]=2 743 B13R1.3380 COc1c(Cl)cc(cc1Cl)[N+](=O)[O-] PI-29254 [0,2,0,0,0,0|2,0,0]=4 744 B13R1.74 BrCCOc1ccc(cc1)[N+](=O)[O-] PI-33268 [0,2,0,0,0,0|2,0,0]=4 745 B13R1.74 C1=CC(=CC=C1[N+](=O)[O-])OCC#N PI-30498 [0,2,0,0,0,0|2,0,0]=4 746 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)C PI-46930 [0,2,0,0,0,0|1,0,0]=3 747 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)N PI-30053 [0,2,0,0,0,0|2,0,0]=4 748 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)O PI-16200 [0,2,0,0,0,0|2,0,0]=4 749 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)O PI-10253 [0,2,0,0,0,0|1,0,0]=3 750 B13R1.74 ClCCOc1ccc(cc1)[N+](=O)[O-] PI-12524 [0,2,0,0,0,0|2,0,0]=4 751 B13R1.99 CC(=O)C1=C(C=C(C=C1)OC)OC PI-12349 [0,2,0,0,0,0|0,0,0]=2 752 B13R1.99 COC1=CC(=C(C=C1)C(=O)O)OC PI-27975 [0,2,0,0,0,0|1,0,0]=3 753 B13R1.99 COC1=CC(=C(C=C1)[N+](=O)[O-])OC PI-34325 [0,2,0,0,0,0|2,0,0]=4 754 B13R1.99 COc1cc(OC)ccc1C(=S)N PI-23354 [0,2,0,0,0,0|1,1,0]=4 755 B13R1.99 O=Cc1cc(OC)ccc1[N+](=O)[O-] PI-27320 [0,2,0,0,0,0|2,0,0]=4 756 B13R1.428 CC(=O)C1=C(C=C(C=C1O)OC)O PI-29902 [0,2,0,0,0,0|0,0,0]=2 757 B13R1.428 CC1=CC(=CC(=C1[N+](=O)[O-])C)OC PI-48858 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [0,0,1,1,0,0|1,0,1]=4 759 B11R2.190 O=CC1=CC=C2CCC2=C1 PI-40933 [1,0,0,1,0,0|1,0,0]=3 760 B13R2.2121 CC1=CC2=C(N1)C=CC(=C2)OC PI-29051 [0,0,0,1,0,1|1,0,0]=3 761 B13R2.2121 COC1=CC2=C(C=C1)N=C(N2)Cl PI-19172 [0,0,0,1,0,1|2,0,0]=4 762 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)Cl PI-19374 [0,0,0,1,0,1|1,1,0]=4 763 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 PI-45352 [0,0,0,1,0,1|1,0,0]=3 764 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)N2 PI-31170 [0,0,0,1,0,1|1,1,0]=4 765 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)S2 PI-45339 [0,0,0,1,0,1|1,1,0]=4 766 B13R2.2121 COC1=CC2=C(C=C1)SC(=N2)N PI-45300 [0,0,0,1,0,1|2,0,0]=4 767 B13R2.2121 COC1=CC=C2CC(=O)CC2=C1 PI-32103 [0,0,0,1,0,1|0,0,0]=2 768 B13R2.2121 COc1ccc2CC(=O)Nc2c1 PI-33951 [0,0,0,1,0,1|1,0,0]=3 769 B13R2.2121 COc1ccc2c(c1)sc(n2)N PI-14104 [0,0,0,1,0,1|1,1,0]=4 770 B13R2.2130 C1=CC(=CC2=C1C(CC2)=O)OC PI-11506 [0,1,0,1,0,0|0,0,0]=2 771 B13R2.2130 C1C2=C(C=CC(=C2)C#N)C(=O)O1 PI-10182 [0,1,0,1,0,0|2,0,0]=4 772 B13R2.2130 COc1ccc2c(c1)CCC2N PI-38852 [0,1,0,1,0,0|1,0,1]=4 773 B13R2.430 C1=CC2=C(C=CO2)C=C1C(=O)O PI-17138 [0,1,0,1,0,0|1,0,1]=4 774 B13R2.430 C1=CC2=NON=C2C=C1C(=O)Cl PI-14160 [0,1,0,1,0,0|2,0,0]=4 775 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)Cl PI-21252 [0,1,0,1,0,0|1,0,0]=3 776 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)N PI-44108 [0,1,0,1,0,0|1,0,0]=3 777 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)O PI-21254 [0,1,0,1,0,0|1,0,0]=3 778 B13R2.430 C1COC2=C1C=C(C=C2)C(=S)N PI-21255 [0,1,0,1,0,0|1,1,0]=4 779 B13R2.430 C1COC2=C1C=CC(=C2)C(=O)O PI-49010 [0,1,0,1,0,0|2,0,0]=4 780 B13R2.430 C1OC2=C(O1)C=C(C=C2)C(=O)O PI-12887 [0,1,0,1,0,0|1,0,0]=3 781 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 PI-26974 [0,1,0,1,0,0|0,0,0]=2 782 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 PI-29473 [0,1,0,1,0,0|0,0,0]=2 783 B13R2.430 OC(=O)c1ccc2c(c1)non2 PI-14161 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.21 CCC1=CC=C(O1)C=O PI-17705 [1,0,0,0,1,0|2,0,0]=4 785 B9R1.21 CSc1ccc(s1)C=O PI-29388 [1,0,0,0,1,0|1,1,0]=4 786 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [1,0,0,0,1,0|2,0,0]=4 787 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [1,0,0,0,1,0|2,0,0]=4 788 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [1,0,0,0,1,0|2,0,0]=4 789 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [1,0,0,0,1,0|2,0,0]=4 790 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [1,0,0,0,1,0|2,0,0]=4 791 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [1,0,0,0,1,0|2,0,0]=4 792 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [1,0,0,0,1,0|2,0,0]=4 793 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [1,0,0,0,1,0|1,0,0]=3 794 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [1,0,0,0,1,0|2,0,0]=4 795 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [1,0,0,0,1,0|2,0,0]=4 796 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [1,0,0,0,1,0|2,0,0]=4 797 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [1,0,0,0,0,1|2,0,0]=4 798 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [1,0,0,0,0,1|1,0,0]=3 799 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [1,0,0,0,0,1|2,0,0]=4 800 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [1,0,0,0,0,1|2,0,0]=4 801 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [1,0,0,0,0,1|2,0,0]=4 802 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [1,0,0,0,0,1|1,0,0]=3 803 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [1,0,0,0,0,1|2,0,0]=4 804 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [1,0,0,0,0,1|1,0,0]=3 805 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [1,0,0,0,0,1|0,0,1]=3 806 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [1,0,0,0,0,1|1,0,0]=3 807 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [1,0,0,0,0,1|1,0,0]=3 808 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [1,0,0,0,0,1|0,1,0]=3 809 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [1,0,0,0,0,1|2,0,0]=4 810 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [1,0,0,0,0,1|1,0,0]=3 811 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [1,0,0,0,0,1|0,0,0]=2 812 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [1,0,0,0,0,1|1,0,0]=3 813 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [1,0,0,0,0,1|1,0,0]=3 814 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [1,0,0,0,0,1|1,0,0]=3 815 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [1,0,0,0,0,1|1,0,0]=3 816 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [1,0,0,0,0,1|1,0,0]=3 817 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [1,0,0,0,0,1|1,1,0]=4 818 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [1,0,0,0,0,1|2,0,0]=4 819 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [1,0,0,0,0,1|2,0,0]=4 820 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [1,0,0,0,0,1|1,0,0]=3 821 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [1,0,0,0,0,1|1,1,0]=4 822 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [1,0,0,0,0,1|1,1,0]=4 823 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [1,0,0,0,0,1|2,0,0]=4 824 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [1,0,0,0,0,1|2,0,0]=4 825 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [1,0,0,0,0,1|1,0,0]=3 826 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [1,0,0,0,0,1|1,1,0]=4 827 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [0,0,0,0,1,1|0,0,0]=2 828 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [0,0,0,0,1,1|2,0,0]=4 829 B11R1.266 CC(=O)C1=NC(=NC=C1)SC PI-49758 [0,0,0,0,1,1|1,1,0]=4 830 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [0,0,0,0,1,1|1,0,0]=3 831 B11R1.266 CN(C)C1=CC(=CC=C1)OC PI-48688 [0,0,0,0,1,1|2,0,0]=4 832 B11R1.266 COC1=CC(=NC=C1)C(=O)N PI-26971 [0,0,0,0,1,1|1,0,0]=3 833 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [0,0,0,0,1,1|1,0,0]=3 834 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl PI-50560 [0,0,0,0,1,1|1,0,0]=3 835 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,0,0,0,1,1|1,0,0]=3 836 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [0,0,0,0,1,1|2,0,0]=4 837 B11R1.266 COC1=CN=CC(=C1)C(=O)O PI-39997 [0,0,0,0,1,1|1,0,0]=3 838 B11R1.266 COC1=NC=CC(=C1)C(=O)O PI-28037 [0,0,0,0,1,1|1,0,0]=3 839 B11R1.266 COc1cccc(c1)C(=O)N PI-30738 [0,0,0,0,1,1|1,0,0]=3 840 B11R1.266 COc1cccc(c1)[N+](=O)[O-] PI-29700 [0,0,0,0,1,1|2,0,0]=4 841 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [0,0,0,0,1,1|1,0,0]=3 842 B11R1.266 N#Cc1cccc(c1)C(=O)C PI-29763 [0,0,0,0,1,1|2,0,0]=4 843 B13R1.3 CC(COC1=CC=C(C=C1)OC)O PI-29595 [0,0,0,0,0,2|0,0,2]=4 844 B13R1.3 CN(C)CCC1=CC=C(C=C1)OC PI-49122 [0,0,0,0,0,2|2,0,0]=4 845 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O PI-11503 [0,0,0,0,0,2|1,0,0]=3 846 B13R1.3 COC1=CC=C(C=C1)OCC(=O)N PI-29464 [0,0,0,0,0,2|1,0,0]=3 847 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O PI-32588 [0,0,0,0,0,2|1,0,0]=3 848 B13R1.3 COC1=CC=C(C=C1)OCC(=S)N PI-29506 [0,0,0,0,0,2|1,1,0]=4 849 B13R1.3 COC1=CC=C(C=C1)\C=C\[N+](=O)[O-] PI-46513 [0,0,0,0,0,2|2,0,0]=4