0 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.6 C1=CN=C(C=N1)C(=N)N PI-33861 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.6 C1=CN=C(N=C1)C(=N)N PI-45842 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [0,0,0,0,0,0|2,1,0]=3 16 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 C1CC(CC=C1)C(=O)O PI-41428 [0,0,0,0,0,0|0,0,4]=4 19 B9R1.6 C1CCC(=CC1)C(=O)O PI-34191 [0,0,0,0,0,0|0,0,4]=4 20 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 CC(C)c1ccncc1 PI-16693 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.6 CC(c1ccccn1)N PI-38576 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.6 CC(c1ccncc1)N PI-38572 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.6 CN(C)c1ccncc1 PI-16263 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,0,0,0,0|1,0,1]=2 33 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,0,0,0,0,0|2,0,1]=3 36 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,0,0,0,0,0|2,0,1]=3 37 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,0,0,0,0|1,0,1]=2 41 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,0,0,0,0,0|2,1,0]=3 42 B9R1.6 FC(c1ccccn1)F PI-35198 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,0,0,0,0|1,1,0]=2 50 B9R1.6 NC(=S)c1cncnc1 PI-36422 [0,0,0,0,0,0|3,1,0]=4 51 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [0,0,0,0,0,0|2,0,1]=3 52 B9R1.6 OB(C1=NC=NC=C1)O PI-39710 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,0,0,0,0,0|1,0,1]=2 54 B9R1.6 OB(c1ccccn1)O PI-25302 [0,0,0,0,0,0|2,0,1]=3 55 B9R1.6 OB(c1ccncc1)O PI-16484 [0,0,0,0,0,0|2,0,1]=3 56 B9R1.6 OB(c1cncnc1)O PI-25045 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.6 OC(=O)[C@@H]1CCC=CC1 PI-41429 [0,0,0,0,0,0|0,0,4]=4 58 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,0,0,0,0|1,0,0]=1 59 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,0,0,0,0,0|1,0,1]=2 61 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [1,0,0,0,0,0|1,0,1]=3 63 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.2 C1=CN=CC=C1CCl PI-31734 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 C1=CN=CC=C1CO PI-16744 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.2 C1=CN=CN=C1C=O PI-34868 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.2 C1=CN=CN=C1CO PI-35498 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.2 CCC1=CC=CC=N1 PI-49466 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.2 CNC1=CC=CC=N1 PI-11864 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 CNC1=CC=NC=C1 PI-23603 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 CNC1=CN=CC=C1 PI-11328 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 COC1=CC=CC=N1 PI-33887 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 COC1=CC=NC=C1 PI-10034 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 COC1=CN=CC=C1 PI-33889 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 CSC1=CC=CC=N1 PI-16757 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.2 ClCc1ccccn1 PI-16716 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.2 NCC1=CC=CC=C1 PI-37209 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.2 NCC1=CC=NC=C1 PI-41875 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.2 NCc1ccccn1 PI-33905 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.2 NCc1cccnc1 PI-15236 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.2 NCc1ccncc1 PI-31790 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.2 NNC1=CC=CC=C1 PI-41551 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.2 O=Cc1ccccn1 PI-33895 [1,0,0,0,0,0|1,0,0]=2 94 B8R1.2 O=Cc1cccnc1 PI-33908 [1,0,0,0,0,0|1,0,0]=2 95 B8R1.2 O=Cc1ccncc1 PI-13140 [1,0,0,0,0,0|1,0,0]=2 96 B8R1.2 OCC1=CC=CN=C1 PI-11019 [1,0,0,0,0,0|1,0,1]=3 97 B8R1.2 OCC1=NC=CC=C1 PI-16261 [1,0,0,0,0,0|1,0,1]=3 98 B8R1.2 OCc1ccncc1 PI-16686 [1,0,0,0,0,0|1,0,1]=3 99 B8R1.2 ONc1ccccc1 PI-38448 [1,0,0,0,0,0|1,0,0]=2 100 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.13 B(C1=CC=C(C=C1)N)(O)O PI-25845 [0,1,0,0,0,0|1,0,1]=3 102 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [0,1,0,0,0,0|1,0,1]=3 103 B10R1.13 B(C1=CC=C(C=C1)S)(O)O PI-33001 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.13 B(C1=CN=C(C=C1)Br)(O)O PI-25364 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.13 B(C1=CN=C(C=C1)C)(O)O PI-44977 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.13 B(C1=CN=C(C=C1)F)(O)O PI-25465 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.13 B(C1=NC=C(C=C1)C)(O)O PI-25499 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.13 Brc1ccc(cc1)B(O)O PI-25661 [0,1,0,0,0,0|1,0,1]=3 109 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,1,0,0,0,0|0,0,0]=1 110 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [0,1,0,0,0,0|1,0,1]=3 111 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.13 Brc1ccc(cn1)[N+](=O)[O-] PI-10084 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.13 Brc1ccc(nc1)[N+](=O)[O-] PI-16738 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,1,0,0,0,0|0,0,0]=1 126 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,1,0,0,0,0|0,0,0]=1 127 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,1,0,0,0,0|0,0,1]=2 128 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [0,1,0,0,0,0|1,1,0]=3 129 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [0,1,0,0,0,0|1,0,1]=3 133 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [0,1,0,0,0,0|1,0,1]=3 134 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [0,1,0,0,0,0|1,0,1]=3 135 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])N PI-31194 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.13 C1=CC(=O)NC=C1[N+](=O)[O-] PI-11016 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.13 C1=C[N+](=CC=C1[N+](=O)[O-])[O-] PI-30069 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [0,1,0,0,0,0|1,0,1]=3 156 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [0,1,0,0,0,0|1,0,1]=3 158 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [0,1,0,0,0,0|1,0,1]=3 160 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [0,1,0,0,0,0|1,1,0]=3 164 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [0,1,0,0,0,0|1,0,1]=3 165 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [0,1,0,0,0,0|1,0,1]=3 166 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [0,1,0,0,0,0|1,0,1]=3 167 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.13 CC1=NC=C(C=C1)[N+](=O)[O-] PI-24226 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [0,1,0,0,0,0|1,0,1]=3 173 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [0,1,0,0,0,0|1,0,1]=3 175 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [0,1,0,0,0,0|1,0,1]=3 177 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [0,1,0,0,0,0|1,0,0]=2 180 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [0,1,0,0,0,0|1,0,1]=3 187 B10R1.13 Clc1ccc(cn1)B(O)O PI-25579 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.13 Clc1ccc(cn1)[N+](=O)[O-] PI-23540 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.13 Clc1ccc(nc1)[N+](=O)[O-] PI-10384 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.13 Fc1ccc(cc1)B(O)O PI-31092 [0,1,0,0,0,0|1,0,1]=3 192 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,1,0,0,0,0|0,0,0]=1 193 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [0,1,0,0,0,0|1,0,1]=3 195 B10R1.13 Fc1ccc(cn1)[N+](=O)[O-] PI-34426 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.13 IC1=CC=C(B(O)O)C=C1 PI-33000 [0,1,0,0,0,0|1,0,1]=3 197 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [0,1,0,0,0,0|1,1,0]=3 200 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [0,1,0,0,0,0|1,1,0]=3 201 B10R1.13 Nc1ccc(cc1)B(O)O PI-31529 [0,1,0,0,0,0|1,0,1]=3 202 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,1,0,0,0,0|1,0,0]=2 207 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,1,0,0,0,0|1,0,0]=2 208 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [0,1,0,0,0,0|1,0,1]=3 212 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [0,1,0,0,0,0|1,0,1]=3 217 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.15 C1=CC(=CN=C1)C(=NO)N PI-34835 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,1,0,0,0,0|0,0,1]=2 224 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,1,0,0,0,0|0,0,0]=1 225 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [0,1,0,0,0,0|1,0,1]=3 226 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,1,0,0,0,0|1,0,1]=3 227 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,1,0,0,0,0|1,0,1]=3 228 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,1,0,0,0,0|1,0,1]=3 229 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,1,0,0,0,0|0,0,2]=3 230 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.15 C1=CN=C(C=N1)C(=O)NN PI-35467 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,1,0,0,0,0|1,0,1]=3 238 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.15 COC(=O)c1ccncn1 PI-36498 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,1,0,0,0,0|1,0,1]=3 254 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,1,0,0,0,0|1,0,1]=3 255 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,1,0,0,0,0|0,0,2]=3 257 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,1,0,0,0,0|0,0,0]=1 258 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,1,0,0,0,0|1,0,1]=3 259 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,1,0,0,0,0|1,0,1]=3 260 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,1,0,0,0,0|0,0,2]=3 261 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,1,0,0,0,0|1,0,0]=2 262 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,1,0,0,0,0|1,0,0]=2 263 B10R1.28 C1=CC(=CN=C1)S(=O)(=O)[O-] PI-46992 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [0,1,0,0,0,0|1,0,1]=3 265 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [0,1,0,0,0,0|1,0,1]=3 266 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [0,1,0,0,0,0|1,0,0]=2 268 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [0,1,0,0,0,0|1,0,1]=3 269 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [0,1,0,0,0,0|2,1,0]=4 272 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [0,1,0,0,0,0|2,1,0]=4 273 B10R1.28 ClS(=O)(=O)c1cccnc1 PI-36817 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.28 ClS(=O)(=O)c1cccnc1 PI-36890 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.28 FC(F)(F)c1ccccc1 PI-34216 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.28 OS(=O)(=O)c1cccnc1 PI-33168 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.28 OS(=O)(=O)c1ccncc1 PI-40970 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.61 B(C1=C(C=NC=C1)Cl)(O)O PI-25587 [0,1,0,0,0,0|2,0,1]=4 279 B10R1.61 B(C1=C(N=CC=C1)Br)(O)O PI-25583 [0,1,0,0,0,0|2,0,1]=4 280 B10R1.61 B(C1=CC=CC=C1N)(O)O PI-31530 [0,1,0,0,0,0|1,0,1]=3 281 B10R1.61 C1=C(C(=NC=N1)N)C(=O)O PI-42082 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.61 C1=CC(=C(N=C1)Br)[N+](=O)[O-] PI-28253 [0,1,0,0,0,0|2,0,1]=4 285 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.61 C1=CC(=C(N=C1)N)[N+](=O)[O-] PI-10379 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])O PI-10087 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,1,0,0,0,0|1,0,0]=2 290 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,1,0,0,0,0|1,0,0]=2 291 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,1,0,0,0,0|0,0,0]=1 293 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,1,0,0,0,0|0,0,0]=1 294 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,1,0,0,0,0|0,0,1]=2 295 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [0,1,0,0,0,0|1,1,0]=3 296 B10R1.61 C1=CC=C(C(=C1)C(Cl)Cl)F PI-19438 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.61 C1=CC=CC(=C1B(O)O)Br PI-39926 [0,1,0,0,0,0|1,0,1]=3 298 B10R1.61 C1=CN=C(C(=O)N1)C(=O)[NH-] PI-49791 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,1,0,0,0,0|1,0,0]=2 300 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [0,1,0,0,0,0|1,0,0]=2 301 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [0,1,0,0,0,0|1,0,0]=2 302 B10R1.61 C1=CN=CC(=C1N)[N+](=O)[O-] PI-16571 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,1,0,0,0,0|1,0,0]=2 305 B10R1.61 C1=CNC=C(C1=O)[N+](=O)[O-] PI-12188 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.61 C1=CNC=C(C1=O)[N+](=O)[O-] PI-16572 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [0,1,0,0,0,0|2,0,0]=3 308 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,1,0,0,0,0|1,0,0]=2 309 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,1,0,0,0,0|1,0,0]=2 310 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,1,0,0,0,0|1,0,0]=2 311 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,1,0,0,0,0|1,0,0]=2 312 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,1,0,0,0,0|1,0,0]=2 314 B10R1.61 CC(C)c1ccccc1S PI-17353 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [0,1,0,0,0,0|1,0,1]=3 316 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [0,1,0,0,0,0|1,0,1]=3 317 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [0,1,0,0,0,0|1,0,1]=3 318 B10R1.61 CC(c1ccccc1Br)C PI-21543 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [0,1,0,0,0,0|1,0,0]=2 320 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,1,0,0,0,0|1,0,0]=2 321 B10R1.61 CC1=C(C=NC=C1)[N+](=O)[O-] PI-10377 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,1,0,0,0,0|1,0,0]=2 323 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,1,0,0,0,0|1,0,0]=2 324 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [0,1,0,0,0,0|1,0,1]=3 326 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [0,1,0,0,0,0|1,0,1]=3 327 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [0,1,0,0,0,0|1,0,1]=3 328 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [0,1,0,0,0,0|1,0,1]=3 329 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.61 FC(F)c1ccccc1Br PI-21634 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.61 NC(=O)c1nccnc1N PI-38832 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.61 NC(=O)c1nccnc1O PI-38271 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [0,1,0,0,0,0|1,1,0]=3 334 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [0,1,0,0,0,0|1,1,0]=3 335 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [0,1,0,0,0,0|1,0,0]=2 336 B10R1.61 O=[N+](C1=C(Br)C=CN=C1)[O-] PI-37164 [0,1,0,0,0,0|2,0,1]=4 337 B10R1.61 O=[N+](C1=CC=CN=C1F)[O-] PI-37086 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.61 OB(c1ccccc1C)O PI-10305 [0,1,0,0,0,0|1,0,1]=3 339 B10R1.61 OB(c1ccccc1F)O PI-28003 [0,1,0,0,0,0|1,0,1]=3 340 B10R1.61 OB(c1ccccc1O)O PI-37992 [0,1,0,0,0,0|1,0,1]=3 341 B10R1.61 OB(c1cccnc1Cl)O PI-25528 [0,1,0,0,0,0|2,0,1]=4 342 B10R1.61 OB(c1cccnc1F)O PI-25252 [0,1,0,0,0,0|2,0,1]=4 343 B10R1.61 OB(c1cnccc1C)O PI-25173 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,1,0,0,0,0|0,0,0]=1 345 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,1,0,0,0,0|1,0,0]=2 346 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,1,0,0,0,0|1,0,0]=2 347 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,1,0,0,0,0|1,0,0]=2 348 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,1,0,0,0,0|1,0,0]=2 349 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [0,1,0,0,0,0|1,0,0]=2 350 B10R1.61 OC(=O)c1ccncc1I PI-38273 [0,1,0,0,0,0|1,0,0]=2 351 B10R1.61 OC(=O)c1ccncc1N PI-10177 [0,1,0,0,0,0|1,0,0]=2 352 B10R1.61 OC(=O)c1ccncc1O PI-28020 [0,1,0,0,0,0|1,0,0]=2 353 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,1,0,0,0,0|1,0,0]=2 354 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,1,0,0,0,0|1,0,0]=2 355 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,1,0,0,0,0|1,0,0]=2 356 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,1,0,0,0,0|1,0,0]=2 357 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,1,0,0,0,0|1,0,0]=2 358 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,1,0,0,0,0|1,0,0]=2 359 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,1,0,0,0,0|1,0,0]=2 360 B10R1.61 OC(=O)c1nccnc1Cl PI-29423 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.61 OC(=O)c1nccnc1O PI-29323 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.61 SC1=CC=CC=C1B(O)O PI-40744 [0,1,0,0,0,0|1,0,1]=3 363 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [0,1,0,0,0,0|1,0,1]=3 364 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [0,1,0,0,0,0|1,0,1]=3 365 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [0,1,0,0,0,0|1,0,1]=3 366 B10R1.61 [O-][N+](=O)c1cccnc1C PI-31380 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.61 [O-][N+](=O)c1cccnc1Cl PI-25662 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.61 [O-][N+](=O)c1cccnc1O PI-10109 [0,1,0,0,0,0|2,0,1]=4 369 B10R1.61 [O-][N+](=O)c1cccnc1S PI-36518 [0,1,0,0,0,0|2,0,1]=4 370 B10R1.61 [O-][N+](=O)c1ccncc1Br PI-34857 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.61 [O-][N+](=O)c1cnccc1Cl PI-16715 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.61 [O-][N+](=O)c1cnccc1Cl PI-24477 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.61 [O-][N+](=O)c1ncccc1Br PI-35802 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.61 [O-][N+](=O)c1ncccc1N PI-16570 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O PI-25960 [0,1,0,0,0,0|1,0,1]=3 376 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [0,1,0,0,0,0|1,0,1]=3 377 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-25874 [0,1,0,0,0,0|1,0,1]=3 378 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-30837 [0,1,0,0,0,0|1,0,1]=3 379 B10R1.113 B(C1=CC(=CC=C1)O)(O)O PI-25936 [0,1,0,0,0,0|1,0,1]=3 380 B10R1.113 B(C1=CC(=CN=C1)Br)(O)O PI-25584 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.113 B(C1=CC(=CN=C1)C)(O)O PI-25250 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.113 B(C1=CC(=NC=C1)Cl)(O)O PI-25586 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.113 B(C1=NC(=CC=C1)Br)(O)O PI-33786 [0,1,0,0,0,0|2,0,1]=4 384 B10R1.113 B(C1=NC=CC(=C1)C)(O)O PI-25498 [0,1,0,0,0,0|2,0,1]=4 385 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,1,0,0,0,0|1,0,0]=2 387 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,1,0,0,0,0|0,0,0]=1 388 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [0,1,0,0,0,0|2,0,1]=4 389 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [0,1,0,0,0,0|2,0,1]=4 390 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [0,1,0,0,0,0|1,0,1]=3 391 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,1,0,0,0,0|1,0,0]=2 392 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [0,1,0,0,0,0|1,0,0]=2 393 B10R1.113 Brc1nccc(c1)[N+](=O)[O-] PI-31784 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,1,0,0,0,0|1,0,0]=2 395 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,1,0,0,0,0|1,0,0]=2 396 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,1,0,0,0,0|1,0,0]=2 397 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,1,0,0,0,0|1,0,0]=2 398 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [0,1,0,0,0,0|1,1,0]=3 399 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F PI-21635 [0,1,0,0,0,0|2,0,1]=4 400 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,1,0,0,0,0|1,0,0]=2 401 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,1,0,0,0,0|1,0,0]=2 402 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,1,0,0,0,0|0,0,0]=1 403 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [0,1,0,0,0,0|1,1,0]=3 404 B10R1.113 C1=CC(=CC(=C1)Cl)C(Cl)Cl PI-19154 [0,1,0,0,0,0|2,0,1]=4 405 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,1,0,0,0,0|1,0,0]=2 406 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,1,0,0,0,0|0,0,0]=1 407 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,1,0,0,0,0|0,0,1]=2 408 B10R1.113 C1=CC(=CC(=C1)F)C(Cl)Cl PI-19546 [0,1,0,0,0,0|2,0,1]=4 409 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=S)N PI-17387 [0,1,0,0,0,0|2,1,0]=4 411 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,1,0,0,0,0|1,0,0]=2 412 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,1,0,0,0,0|1,0,0]=2 413 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,1,0,0,0,0|1,0,0]=2 414 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [0,1,0,0,0,0|1,0,0]=2 415 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,1,0,0,0,0|1,0,0]=2 417 B10R1.113 C1=CN=C(C=C1F)[N+](=O)[O-] PI-34880 [0,1,0,0,0,0|2,0,1]=4 418 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,1,0,0,0,0|1,0,0]=2 420 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [0,1,0,0,0,0|1,0,0]=2 421 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,1,0,0,0,0|1,0,0]=2 422 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [0,1,0,0,0,0|1,0,1]=3 424 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [0,1,0,0,0,0|1,0,1]=3 425 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [0,1,0,0,0,0|2,0,1]=4 426 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [0,1,0,0,0,0|2,0,1]=4 427 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [0,1,0,0,0,0|1,0,1]=3 428 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [0,1,0,0,0,0|2,0,0]=3 429 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,1,0,0,0,0|1,0,0]=2 430 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [0,1,0,0,0,0|1,0,1]=3 432 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,1,0,0,0,0|1,0,0]=2 433 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,1,0,0,0,0|1,0,0]=2 434 B10R1.113 CC1=NC(=CC=C1)[N+](=O)[O-] PI-28224 [0,1,0,0,0,0|2,0,1]=4 435 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,1,0,0,0,0|2,0,0]=3 436 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [0,1,0,0,0,0|1,0,1]=3 437 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [0,1,0,0,0,0|1,0,1]=3 438 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [0,1,0,0,0,0|2,0,0]=3 439 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,1,0,0,0,0|1,0,0]=2 440 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [0,1,0,0,0,0|1,0,1]=3 441 B10R1.113 Cc1cccc(n1)B(O)O PI-25500 [0,1,0,0,0,0|2,0,1]=4 442 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,1,0,0,0,0|2,0,0]=3 443 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.113 Clc1cccc(c1)B(O)O PI-11573 [0,1,0,0,0,0|1,0,1]=3 445 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [0,1,0,0,0,0|2,0,1]=4 446 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [0,1,0,0,0,0|2,0,1]=4 447 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,1,0,0,0,0|1,0,0]=2 448 B10R1.113 Clc1cncc(c1)B(O)O PI-25937 [0,1,0,0,0,0|2,0,1]=4 449 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,1,0,0,0,0|2,0,0]=3 450 B10R1.113 Clc1nccc(c1)[N+](=O)[O-] PI-10054 [0,1,0,0,0,0|2,0,1]=4 451 B10R1.113 Fc1cccc(c1)B(O)O PI-23443 [0,1,0,0,0,0|1,0,1]=3 452 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,1,0,0,0,0|1,0,0]=2 453 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [0,1,0,0,0,0|1,0,1]=3 454 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,1,0,0,0,0|1,0,0]=2 455 B10R1.113 Fc1nccc(c1)B(O)O PI-25543 [0,1,0,0,0,0|2,0,1]=4 456 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [0,1,0,0,0,0|1,0,0]=2 457 B10R1.113 Fc1nccc(c1)[N+](=O)[O-] PI-24189 [0,1,0,0,0,0|2,0,1]=4 458 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,1,0,0,0,0|0,0,0]=1 459 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [0,1,0,0,0,0|1,0,0]=2 460 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [0,1,0,0,0,0|2,0,0]=3 461 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [0,1,0,0,0,0|1,1,0]=3 462 B10R1.113 Nc1cccc(c1)B(O)O PI-16837 [0,1,0,0,0,0|1,0,1]=3 463 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,1,0,0,0,0|1,0,0]=2 464 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,1,0,0,0,0|1,0,0]=2 465 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,1,0,0,0,0|1,0,0]=2 467 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,1,0,0,0,0|1,0,0]=2 468 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [0,1,0,0,0,0|2,0,0]=3 469 B10R1.113 O=[N+](C1=CC=CC(Br)=N1)[O-] PI-37150 [0,1,0,0,0,0|2,0,1]=4 470 B10R1.113 O=[N+](C1=CC=CC(Cl)=N1)[O-] PI-37415 [0,1,0,0,0,0|2,0,1]=4 471 B10R1.113 O=[N+](C1=CN=CC(Br)=C1)[O-] PI-37100 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.113 OC(=O)c1cc(Cl)nnc1 PI-38264 [0,1,0,0,0,0|2,0,0]=3 473 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,1,0,0,0,0|1,0,0]=2 474 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,1,0,0,0,0|1,0,0]=2 475 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,1,0,0,0,0|1,0,0]=2 476 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,1,0,0,0,0|0,0,0]=1 477 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [0,1,0,0,0,0|1,0,1]=3 478 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,1,0,0,0,0|1,0,0]=2 479 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [0,1,0,0,0,0|2,0,0]=3 480 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [0,1,0,0,0,0|1,1,0]=3 481 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [0,1,0,0,0,0|3,0,0]=4 482 B10R1.113 [O-][N+](=O)c1cc(C)ccn1 PI-28226 [0,1,0,0,0,0|2,0,1]=4 483 B10R2.6 C1CC1c2ccccc2 PI-17840 [0,0,0,1,0,0|2,0,1]=4 484 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [0,0,0,1,0,0|1,0,1]=3 485 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [0,0,0,1,0,0|1,0,1]=3 486 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,0,0,1,0,0|1,0,0]=2 487 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [0,0,0,1,0,0|2,0,1]=4 488 B8R1.7 B(C1=CNC=C1)(O)O PI-33181 [0,0,0,0,1,0|2,0,1]=4 489 B8R1.7 B(C1=CSC=C1)(O)O PI-28689 [0,0,0,0,1,0|2,0,1]=4 490 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [0,0,0,0,1,0|2,0,0]=3 491 B8R1.7 C1=C(N=NS1)C(=O)O PI-28513 [0,0,0,0,1,0|3,0,0]=4 492 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [0,0,0,0,1,0|2,0,0]=3 493 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [0,0,0,0,1,0|3,0,0]=4 494 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [0,0,0,0,1,0|2,0,0]=3 495 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [0,0,0,0,1,0|2,0,0]=3 496 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,0,0,0,1,0|1,0,0]=2 497 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,0,0,0,1,0|1,0,0]=2 498 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [0,0,0,0,1,0|2,0,0]=3 499 B8R1.7 C1=COC=C1C(=N)N PI-19708 [0,0,0,0,1,0|3,0,0]=4 500 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [0,0,0,0,1,0|2,0,0]=3 501 B8R1.7 C1=COC=C1C(=O)O PI-16502 [0,0,0,0,1,0|1,0,0]=2 502 B8R1.7 C1=COC=C1C(=S)N PI-19750 [0,0,0,0,1,0|2,1,0]=4 503 B8R1.7 C1=CON=C1C(=O)O PI-48871 [0,0,0,0,1,0|2,0,0]=3 504 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [0,0,0,0,1,0|3,0,0]=4 505 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [0,0,0,0,1,0|2,0,0]=3 506 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [0,0,0,0,1,0|1,0,1]=3 507 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] PI-10995 [0,0,0,0,1,0|2,0,1]=4 508 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [0,0,0,0,1,0|3,0,0]=4 509 B8R1.7 C1C=CCC1C(=O)O PI-33725 [0,0,0,0,1,0|0,0,3]=4 510 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [0,0,0,0,1,0|0,0,3]=4 511 B8R1.7 C1COC=C1C(=O)O PI-48370 [0,0,0,0,1,0|1,0,2]=4 512 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,0,0,0,1,0|2,0,0]=3 513 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [0,0,0,0,1,0|3,0,0]=4 514 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [0,0,0,0,1,0|3,0,0]=4 515 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [0,0,0,0,1,0|3,0,0]=4 516 B8R1.7 CC(=O)c1cscc1 PI-16499 [0,0,0,0,1,0|2,0,0]=3 517 B8R1.7 CC(=O)n1cncc1 PI-31807 [0,0,0,0,1,0|3,0,0]=4 518 B8R1.7 CC(C1=CC=CS1)O PI-12508 [0,0,0,0,1,0|2,0,1]=4 519 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [0,0,0,0,1,0|1,0,2]=4 520 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [0,0,0,0,1,0|3,0,0]=4 521 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [0,0,0,0,1,0|2,0,1]=4 522 B8R1.7 ClC(=O)c1cscc1 PI-10762 [0,0,0,0,1,0|2,0,0]=3 523 B8R1.7 NC(=S)c1ccco1 PI-19230 [0,0,0,0,1,0|2,1,0]=4 524 B8R1.7 NC(=S)c1cccs1 PI-39110 [0,0,0,0,1,0|2,1,0]=4 525 B8R1.7 NC(=S)c1cscc1 PI-29381 [0,0,0,0,1,0|2,1,0]=4 526 B8R1.7 OB(c1ccco1)O PI-33002 [0,0,0,0,1,0|2,0,1]=4 527 B8R1.7 OB(c1cccs1)O PI-16529 [0,0,0,0,1,0|2,0,1]=4 528 B8R1.7 OB(c1cocc1)O PI-18685 [0,0,0,0,1,0|2,0,1]=4 529 B8R1.7 OC(=O)C1=CNN=N1 PI-40359 [0,0,0,0,1,0|3,0,0]=4 530 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [0,0,0,0,1,0|1,0,2]=4 531 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [0,0,0,0,1,0|2,0,0]=3 532 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [0,0,0,0,1,0|2,0,0]=3 533 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,0,0,0,1,0|1,0,0]=2 534 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,0,0,0,1,0|1,0,0]=2 535 B8R1.7 OC(=O)c1ccno1 PI-29335 [0,0,0,0,1,0|2,0,0]=3 536 B8R1.7 OC(=O)c1cocn1 PI-43182 [0,0,0,0,1,0|2,0,0]=3 537 B8R1.7 OC(=O)c1cscc1 PI-10764 [0,0,0,0,1,0|1,0,0]=2 538 B8R1.7 OC(=O)c1cscn1 PI-28011 [0,0,0,0,1,0|2,0,0]=3 539 B8R1.7 OC(=O)c1n[nH]cn1 PI-10407 [0,0,0,0,1,0|3,0,0]=4 540 B8R1.7 OC(=O)n1scc[nH]1 PI-29827 [0,0,0,0,1,0|3,0,0]=4 541 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,0,0,0,0,1|1,0,1]=3 542 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,0,0,0,0,1|2,0,0]=3 543 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,0,1|1,0,0]=2 544 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,0,1|1,0,0]=2 545 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,0,0,0,0,1|2,0,0]=3 546 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,0,0,0,1|1,0,0]=2 547 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,0,1|1,0,0]=2 548 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [0,0,0,0,0,1|2,0,0]=3 549 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,0,0,0,1|2,0,0]=3 550 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,0,1|2,0,0]=3 551 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,0,0,0,1|2,0,0]=3 552 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,0,0,0,1|2,0,0]=3 553 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [0,0,0,0,0,1|3,0,0]=4 554 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [0,0,0,0,0,1|2,0,1]=4 555 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,0,1|2,0,0]=3 556 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,0,0,0,0,1|1,1,0]=3 557 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,0,0,0,0,1|2,0,0]=3 558 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,0,1|1,0,0]=2 559 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,0,0,0,0,1|1,0,0]=2 560 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [0,0,0,0,0,1|2,0,0]=3 561 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [1,0,1,0,0,0|0,0,2]=4 562 B7R1.3 Brc1cccnc1 PI-11914 [2,0,0,0,0,0|2,0,0]=4 563 B7R1.3 Brc1ccncc1 PI-10390 [2,0,0,0,0,0|2,0,0]=4 564 B7R1.3 C1=CC(=CN=C1)I PI-11390 [2,0,0,0,0,0|2,0,0]=4 565 B7R1.3 C1=CC(=CN=C1)O PI-44714 [2,0,0,0,0,0|1,0,0]=3 566 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [2,0,0,0,0,0|1,0,1]=4 567 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [2,0,0,0,0,0|1,0,0]=3 568 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [2,0,0,0,0,0|1,0,0]=3 569 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [2,0,0,0,0,0|1,0,0]=3 570 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [2,0,0,0,0,0|1,1,0]=4 571 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [2,0,0,0,0,0|0,1,0]=3 572 B7R1.3 C1=CC=NC(=C1)I PI-32173 [2,0,0,0,0,0|2,0,0]=4 573 B7R1.3 C1=CN=CC=C1Cl PI-16703 [2,0,0,0,0,0|2,0,0]=4 574 B7R1.3 C1=CN=CC=C1F PI-10293 [2,0,0,0,0,0|2,0,0]=4 575 B7R1.3 C1=CN=CC=C1F PI-28763 [2,0,0,0,0,0|2,0,0]=4 576 B7R1.3 C1=CN=CC=C1I PI-16167 [2,0,0,0,0,0|2,0,0]=4 577 B7R1.3 C1=CN=CNC1=O PI-21341 [2,0,0,0,0,0|2,0,0]=4 578 B7R1.3 C1=CN=CNC1=O PI-45002 [2,0,0,0,0,0|2,0,0]=4 579 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [2,0,0,0,0,0|2,0,0]=4 580 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [2,0,0,0,0,0|2,0,0]=4 581 B7R1.3 C1=CNC=CC1=S PI-33123 [2,0,0,0,0,0|1,1,0]=4 582 B7R1.3 C1=COC=CC1=O PI-43972 [2,0,0,0,0,0|1,0,0]=3 583 B7R1.3 CC1=CC=CC=N1 PI-38534 [2,0,0,0,0,0|1,0,1]=4 584 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [2,0,0,0,0,0|1,0,1]=4 585 B7R1.3 C[n+]1ccccc1 PI-17168 [2,0,0,0,0,0|1,0,1]=4 586 B7R1.3 Clc1cccnc1 PI-11921 [2,0,0,0,0,0|2,0,0]=4 587 B7R1.3 Fc1ccccn1 PI-11583 [2,0,0,0,0,0|2,0,0]=4 588 B7R1.3 Fc1cccnc1 PI-16759 [2,0,0,0,0,0|2,0,0]=4 589 B7R1.3 Ic1ccccc1 PI-37973 [2,0,0,0,0,0|1,0,0]=3 590 B7R1.3 N[n+]1ccccc1 PI-10984 [2,0,0,0,0,0|2,0,0]=4 591 B7R1.3 O=C1C=CC=NN1 PI-40006 [2,0,0,0,0,0|2,0,0]=4 592 B7R1.3 O=C1C=CNC=C1 PI-33984 [2,0,0,0,0,0|1,0,0]=3 593 B7R1.3 Oc1cncnc1 PI-36495 [2,0,0,0,0,0|2,0,0]=4 594 B7R1.3 [S-]c1ccccc1 PI-17985 [2,0,0,0,0,0|0,1,0]=3 595 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [1,1,0,0,0,0|1,0,1]=4 596 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [1,1,0,0,0,0|1,0,1]=4 597 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.1 Brc1ccc(cc1)[N+]#N PI-10983 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.1 C#CC1=CC=C(C=C1)Br PI-30915 [1,1,0,0,0,0|1,0,1]=4 600 B9R1.1 C#Cc1ccc(F)cc1 PI-30917 [1,1,0,0,0,0|1,0,1]=4 601 B9R1.1 C1=CC(=CC=C1C#N)I PI-31146 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.1 C1=CC(=CC=C1C#N)N PI-10997 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [1,1,0,0,0,0|0,0,0]=2 604 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [1,1,0,0,0,0|0,0,0]=2 605 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [1,1,0,0,0,0|1,0,1]=4 606 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [1,1,0,0,0,0|1,0,1]=4 608 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [1,1,0,0,0,0|1,0,1]=4 609 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [1,1,0,0,0,0|1,0,1]=4 610 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [1,1,0,0,0,0|0,0,1]=3 611 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [1,1,0,0,0,0|0,0,1]=3 612 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [1,1,0,0,0,0|0,1,1]=4 613 B9R1.1 C1=CC(=CC=C1NN)Br PI-14502 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.1 C1=CC(=CC=C1NN)Br PI-50387 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.1 C1=CC(=CC=C1NN)Br PI-50485 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.1 C1=CC(=CC=C1NN)Cl PI-16438 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.1 C1=CC(=CC=C1NN)Cl PI-50281 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.1 C1=CC(=CC=C1NN)F PI-31312 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.1 C1=CC(=CC=C1NN)I PI-29108 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [1,1,0,0,0,0|1,0,0]=3 621 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [1,1,0,0,0,0|1,0,0]=3 622 B9R1.1 C1=CC(=NC=C1CO)N PI-44054 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [1,1,0,0,0,0|1,0,0]=3 624 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [1,1,0,0,0,0|1,0,1]=4 629 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [1,1,0,0,0,0|1,0,1]=4 630 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [1,1,0,0,0,0|1,0,0]=3 631 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [1,1,0,0,0,0|1,0,1]=4 632 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [1,1,0,0,0,0|1,0,1]=4 633 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [1,1,0,0,0,0|1,0,1]=4 634 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [1,1,0,0,0,0|1,0,1]=4 635 B9R1.1 CCc1ccc(C)cc1 PI-36542 [1,1,0,0,0,0|1,0,1]=4 636 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.1 CNc1ccc(cc1)Br PI-21585 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.1 COc1ccc(cc1)Br PI-34196 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.1 COc1ccc(cc1)I PI-33808 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.1 COc1ccc(cc1)O PI-31355 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.1 CSc1ccc(cc1)O PI-18075 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [1,1,0,0,0,0|1,0,1]=4 648 B9R1.1 N#Cc1ccc(Br)cc1 PI-11462 [1,1,0,0,0,0|1,0,1]=4 649 B9R1.1 N#Cc1ccc(Cl)cc1 PI-11470 [1,1,0,0,0,0|1,0,1]=4 650 B9R1.1 N#Cc1ccc(cc1)F PI-16865 [1,1,0,0,0,0|1,0,1]=4 651 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [1,1,0,0,0,0|1,0,1]=4 652 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.1 NCc1ccc(F)cc1 PI-11985 [1,1,0,0,0,0|1,0,1]=4 654 B9R1.1 NCc1ccc(cc1)Br PI-20544 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.1 NCc1ccc(cc1)Br PI-38542 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.1 NNc1ccc(C)cc1 PI-13126 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [1,1,0,0,0,0|1,0,0]=3 658 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [1,1,0,0,0,0|0,0,0]=2 660 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [1,1,0,0,0,0|0,0,0]=2 661 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [1,1,0,0,0,0|0,0,0]=2 662 B9R1.1 O=Cc1cnc(N)nc1 PI-34787 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.1 OCc1ccc(Cl)nc1 PI-16749 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.1 OCc1ccc(S)cc1 PI-35674 [1,1,0,0,0,0|0,0,1]=3 665 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [1,1,0,0,0,0|0,0,1]=3 666 B9R1.1 OCc1ccc(cc1)I PI-33685 [1,1,0,0,0,0|0,0,1]=3 667 B9R1.1 OCc1ccc(cc1)O PI-29788 [1,1,0,0,0,0|0,0,1]=3 668 B9R1.1 OCc1ccc(cn1)Br PI-10546 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br PI-22497 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.2 BrCc1cccc(I)c1 PI-29628 [1,1,0,0,0,0|1,0,1]=4 671 B9R1.2 BrCc1cccc(c1)Br PI-13393 [1,1,0,0,0,0|1,0,1]=4 672 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [1,1,0,0,0,0|1,0,0]=3 674 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [1,1,0,0,0,0|1,0,1]=4 677 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.2 C1=C(C=NC=C1Br)CO PI-47170 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [1,1,0,0,0,0|1,0,1]=4 680 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [1,1,0,0,0,0|1,0,1]=4 681 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [1,1,0,0,0,0|0,0,1]=3 683 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [1,1,0,0,0,0|1,0,1]=4 686 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [1,1,0,0,0,0|0,0,1]=3 688 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,1,0,0,0,0|0,0,0]=2 690 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,1,0,0,0,0|0,0,0]=2 691 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [1,1,0,0,0,0|1,0,1]=4 693 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [1,1,0,0,0,0|0,0,1]=3 694 B9R1.2 C1=CC(=NC(=C1)Br)C=O PI-21494 [1,1,0,0,0,0|1,0,0]=3 695 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [1,1,0,0,0,0|1,0,1]=4 696 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [1,1,0,0,0,0|1,0,1]=4 698 B9R1.2 C1=CN=C(C=C1CO)Br PI-27098 [1,1,0,0,0,0|1,0,1]=4 699 B9R1.2 C1=CN=C(C=C1CO)F PI-44971 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [1,1,0,0,0,0|1,0,1]=4 701 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [1,1,0,0,0,0|1,0,0]=3 702 B9R1.2 C=Cc1cccc(c1)C PI-40767 [1,1,0,0,0,0|1,0,0]=3 703 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,1,0,0,0,0|0,0,0]=2 704 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [1,1,0,0,0,0|1,0,1]=4 705 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [1,1,0,0,0,0|1,0,0]=3 706 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [1,1,0,0,0,0|1,0,0]=3 708 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [1,1,0,0,0,0|1,0,1]=4 709 B9R1.2 CNc1cccc(c1)F PI-29299 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.2 COc1cccc(c1)O PI-34658 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.2 CSc1cccc(c1)N PI-11908 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [1,1,0,0,0,0|1,0,0]=3 719 B9R1.2 Clc1cccc(c1)C#N PI-31301 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [1,1,0,0,0,0|1,0,0]=3 721 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [1,1,0,0,0,0|1,0,1]=4 722 B9R1.2 N#Cc1cccc(c1)I PI-10114 [1,1,0,0,0,0|1,0,1]=4 723 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [1,1,0,0,0,0|1,0,1]=4 724 B9R1.2 NCc1cccc(c1)Br PI-21372 [1,1,0,0,0,0|1,0,1]=4 725 B9R1.2 NCc1cccc(c1)Br PI-38545 [1,1,0,0,0,0|1,0,1]=4 726 B9R1.2 NCc1cccc(c1)F PI-23480 [1,1,0,0,0,0|1,0,1]=4 727 B9R1.2 NNc1cccc(c1)Br PI-29422 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.2 NNc1cccc(c1)C PI-29814 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,1,0,0,0,0|0,0,0]=2 730 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,1,0,0,0,0|0,0,0]=2 731 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,1,0,0,0,0|0,0,0]=2 732 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,1,0,0,0,0|0,0,0]=2 733 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,1,0,0,0,0|0,0,0]=2 734 B9R1.2 O=Cc1ccnc(C)n1 PI-33598 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.2 O=Cc1ccnc(c1)Br PI-27099 [1,1,0,0,0,0|1,0,0]=3 736 B9R1.2 O=Cc1ccnc(c1)Cl PI-31791 [1,1,0,0,0,0|1,0,0]=3 737 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [1,1,0,0,0,0|1,0,1]=4 738 B9R1.2 OCC1=CC(N)=CN=C1 PI-35898 [1,1,0,0,0,0|1,0,1]=4 739 B9R1.2 OCc1cccc(c1)C PI-38620 [1,1,0,0,0,0|0,0,1]=3 740 B9R1.2 OCc1cccc(c1)Cl PI-11919 [1,1,0,0,0,0|0,0,1]=3 741 B9R1.2 SCc1cccc(F)c1 PI-23495 [1,1,0,0,0,0|0,1,1]=4 742 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,1,0,0,0,0|1,0,1]=4 744 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,1,0,0,0,0|1,0,1]=4 745 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,1,0,0,0,0|1,0,0]=3 746 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,1,0,0,0,0|0,1,1]=4 747 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,1,0,0,0,0|1,0,1]=4 748 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,1,0,0,0,0|1,0,1]=4 749 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,1,0,0,0,0|0,0,1]=3 750 B9R1.8 C1=CN=C(N=C1)C=NO PI-32947 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [1,1,0,0,0,0|1,0,0]=3 752 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,1,0,0,0,0|1,0,0]=3 753 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,1,0,0,0,0|1,0,1]=4 754 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,1,0,0,0,0|0,0,1]=3 755 B9R1.8 COCc1ccccn1 PI-38670 [1,1,0,0,0,0|1,0,1]=4 756 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,1,0,0,0,0|1,0,0]=3 757 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.8 NOCc1ccccc1 PI-11329 [1,1,0,0,0,0|0,0,1]=3 759 B9R1.8 O=C=Nc1cccnc1 PI-38566 [1,1,0,0,0,0|1,0,1]=4 760 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,1,0,0,0,0|1,0,1]=4 761 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,1,0,0,0,0|0,0,1]=3 762 B9R1.8 O\N=C\c1ccccn1 PI-38007 [1,1,0,0,0,0|1,0,0]=3 763 B9R1.15 BrC1=NC=CC=C1C=O PI-39999 [1,1,0,0,0,0|1,0,0]=3 764 B9R1.15 BrCc1ccccc1Br PI-11809 [1,1,0,0,0,0|1,0,1]=4 765 B9R1.15 BrCc1ccccc1I PI-29573 [1,1,0,0,0,0|1,0,1]=4 766 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [1,1,0,0,0,0|1,0,1]=4 767 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [1,1,0,0,0,0|1,0,1]=4 768 B9R1.15 C#Cc1ccccc1Br PI-30911 [1,1,0,0,0,0|1,0,1]=4 769 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [1,1,0,0,0,0|1,0,0]=3 770 B9R1.15 C1=CC(=C(N=C1)CO)Br PI-44198 [1,1,0,0,0,0|1,0,1]=4 771 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,1,0,0,0,0|1,0,1]=4 772 B9R1.15 C1=CC(=C(N=C1)Cl)C=O PI-34991 [1,1,0,0,0,0|1,0,0]=3 773 B9R1.15 C1=CC(=C(N=C1)Cl)CO PI-33153 [1,1,0,0,0,0|1,0,1]=4 774 B9R1.15 C1=CC(=C(N=C1)F)C=O PI-39564 [1,1,0,0,0,0|1,0,0]=3 775 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [1,1,0,0,0,0|1,0,1]=4 776 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,1,0,0,0,0|0,0,0]=2 777 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [1,1,0,0,0,0|1,0,1]=4 778 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [1,1,0,0,0,0|1,0,1]=4 779 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [1,1,0,0,0,0|1,0,1]=4 780 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [1,1,0,0,0,0|1,0,1]=4 781 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [1,1,0,0,0,0|1,0,1]=4 782 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [1,1,0,0,0,0|1,0,1]=4 783 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [1,1,0,0,0,0|0,0,1]=3 784 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [1,1,0,0,0,0|0,0,1]=3 785 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [1,1,0,0,0,0|0,0,1]=3 786 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [1,1,0,0,0,0|0,1,1]=4 787 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [1,1,0,0,0,0|0,1,1]=4 788 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [1,1,0,0,0,0|1,0,0]=3 793 B9R1.15 C1=CN=CC(=C1Cl)CO PI-34716 [1,1,0,0,0,0|1,0,1]=4 794 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [1,1,0,0,0,0|1,0,0]=3 795 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,1,0,0,0,0|1,0,0]=3 796 B9R1.15 C=Cc1ccccc1F PI-33746 [1,1,0,0,0,0|1,0,0]=3 797 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,1,0,0,0,0|0,0,0]=2 798 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,1,0,0,0,0|1,0,1]=4 799 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,1,0,0,0,0|1,0,1]=4 800 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,1,0,0,0,0|1,0,1]=4 801 B9R1.15 CCc1ccccc1C PI-36541 [1,1,0,0,0,0|1,0,1]=4 802 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.15 COc1ccccc1S PI-21364 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.15 CSc1ccccc1I PI-13705 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.15 N#Cc1ccccc1Br PI-11808 [1,1,0,0,0,0|1,0,1]=4 816 B9R1.15 N#Cc1ccccc1Cl PI-34735 [1,1,0,0,0,0|1,0,1]=4 817 B9R1.15 N#Cc1ccccc1F PI-27555 [1,1,0,0,0,0|1,0,1]=4 818 B9R1.15 N#Cc1ccccc1N PI-11517 [1,1,0,0,0,0|1,0,1]=4 819 B9R1.15 N#Cc1ccccc1O PI-11836 [1,1,0,0,0,0|1,0,1]=4 820 B9R1.15 NCc1ccccc1Br PI-38543 [1,1,0,0,0,0|1,0,1]=4 821 B9R1.15 NNc1ccccc1C PI-29808 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.15 O=CC1=C(Cl)C=CN=C1 PI-37019 [1,1,0,0,0,0|1,0,0]=3 823 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,1,0,0,0,0|0,0,0]=2 824 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,1,0,0,0,0|0,0,0]=2 825 B9R1.15 O=Cc1ccccc1F PI-27600 [1,1,0,0,0,0|0,0,0]=2 826 B9R1.15 O=Cc1cccnc1N PI-15940 [1,1,0,0,0,0|1,0,0]=3 827 B9R1.15 O=Cc1cnccc1Br PI-36813 [1,1,0,0,0,0|1,0,0]=3 828 B9R1.15 OCc1ccccc1F PI-28537 [1,1,0,0,0,0|0,0,1]=3 829 B9R1.15 OCc1ccccc1O PI-36548 [1,1,0,0,0,0|0,0,1]=3 830 B9R1.15 OCc1cccnc1N PI-33953 [1,1,0,0,0,0|1,0,1]=4 831 B9R1.15 SCc1ccccc1F PI-23494 [1,1,0,0,0,0|0,1,1]=4 832 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [1,1,0,0,0,0|2,0,0]=4 833 B9R1.11 C1=COC(=C1)C(=NO)N PI-19376 [0,1,0,0,1,0|2,0,0]=4 834 B9R1.11 C1=CSC(=C1)C(=NO)N PI-29669 [0,1,0,0,1,0|2,0,0]=4 835 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [0,1,0,0,1,0|2,0,0]=4 836 B9R1.11 C1=CSC=C1C(=O)CBr PI-29147 [0,1,0,0,1,0|2,0,0]=4 837 B9R1.11 C1=CSC=C1C(=O)NN PI-29542 [0,1,0,0,1,0|2,0,0]=4 838 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [0,1,0,0,1,0|2,0,0]=4 839 B9R1.11 CCC(=O)c1ccco1 PI-17052 [0,1,0,0,1,0|2,0,0]=4 840 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [0,1,0,0,1,0|1,0,0]=3 841 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [0,1,0,0,1,0|2,0,0]=4 842 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [0,1,0,0,1,0|2,0,0]=4 843 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [0,1,0,0,1,0|2,0,0]=4 844 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [0,1,0,0,1,0|1,0,0]=3 845 B9R1.11 COC(=O)c1cccs1 PI-30692 [0,1,0,0,1,0|1,0,0]=3 846 B9R1.11 NNC(=O)c1ccco1 PI-28398 [0,1,0,0,1,0|2,0,0]=4 847 B9R1.11 NNC(=O)c1cccs1 PI-18375 [0,1,0,0,1,0|2,0,0]=4 848 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [0,1,0,0,1,0|1,0,0]=3 849 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [0,1,0,0,1,0|1,0,0]=3 850 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [0,1,0,0,1,0|1,0,0]=3 851 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [0,1,0,0,1,0|2,0,0]=4 852 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [0,1,0,0,1,0|2,0,0]=4 853 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [0,1,0,0,1,0|2,0,0]=4 854 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,1,0,0,1,0|2,0,0]=4 855 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,1,0,0,1,0|1,0,0]=3 856 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,1,0,0,1,0|1,0,0]=3 857 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [0,1,0,0,1,0|2,0,0]=4 858 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [0,1,0,0,1,0|2,0,0]=4 859 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,1,0,0,1,0|1,0,0]=3 860 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,1,0,0,1,0|1,0,0]=3 861 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [0,1,0,0,1,0|2,0,0]=4 862 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [0,1,0,0,1,0|2,0,0]=4 863 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [0,1,0,0,1,0|2,0,0]=4 864 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,1,0,0,1,0|2,0,0]=4 865 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [0,1,0,0,1,0|2,0,0]=4 866 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [0,1,0,0,1,0|2,0,0]=4 867 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,1,0,0,1,0|2,0,0]=4 868 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,1,0,0,1,0|2,0,0]=4 869 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,1,0,0,1,0|1,0,0]=3 870 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,1,0,0,1,0|2,0,0]=4 871 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,1,0,0,1,0|1,0,0]=3 872 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,1,0,0,1,0|1,0,0]=3 873 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,1,0,0,1,0|2,0,0]=4 874 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,1,0,0,1,0|2,0,0]=4 875 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [0,1,0,0,1,0|2,0,0]=4 876 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,1,0,0,1,0|2,0,0]=4 877 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,1,0,0,1,0|2,0,0]=4 878 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [0,1,0,0,1,0|1,0,0]=3 879 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,1,0,0,1,0|1,0,0]=3 880 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [0,1,0,0,1,0|1,0,0]=3 881 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,1,0,0,1,0|1,0,0]=3 882 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [0,1,0,0,1,0|2,0,0]=4 883 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [0,1,0,0,1,0|2,0,0]=4 884 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [0,1,0,0,1,0|2,0,0]=4 885 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [0,1,0,0,1,0|1,0,0]=3 886 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [0,1,0,0,1,0|2,0,0]=4 887 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,1,0,0,1,0|1,0,0]=3 888 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [0,1,0,0,1,0|2,0,0]=4 889 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [0,1,0,0,1,0|2,0,0]=4 890 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,1,0,0,1,0|1,0,0]=3 891 B9R1.41 C1=NNC(=C1C(=O)O)N PI-13600 [0,1,0,0,1,0|2,0,0]=4 892 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [0,1,0,0,1,0|2,0,0]=4 893 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [0,1,0,0,1,0|2,0,0]=4 894 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [0,1,0,0,1,0|2,0,0]=4 895 B9R1.41 CC1=C(C=NO1)C(=O)O PI-10238 [0,1,0,0,1,0|2,0,0]=4 896 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,1,0,0,1,0|1,0,0]=3 897 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [0,1,0,0,1,0|2,0,0]=4 898 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [0,1,0,0,1,0|2,0,0]=4 899 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [0,1,0,0,1,0|2,0,0]=4 900 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,1,0,0,1,0|1,0,0]=3 901 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [0,1,0,0,1,0|2,0,0]=4 902 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [0,1,0,0,1,0|2,0,0]=4 903 B9R1.41 Cn1cncc1C(=O)O PI-35821 [0,1,0,0,1,0|2,0,0]=4 904 B9R1.41 NC(=O)c1sccc1N PI-14136 [0,1,0,0,1,0|2,0,0]=4 905 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [0,1,0,0,1,0|1,0,0]=3 906 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [0,1,0,0,1,0|2,0,0]=4 907 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,1,0,0,1,0|1,0,0]=3 908 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,1,0,0,1,0|1,0,0]=3 909 B11R1.20 C1=C(C=NC(=N1)CC(=O)O)F PI-45132 [0,1,0,0,0,1|2,0,0]=4 910 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,1,0,0,0,1|1,0,0]=3 911 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,1,0,0,0,1|1,0,0]=3 912 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,1,0,0,0,1|0,0,0]=2 913 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,1,0,0,0,1|0,0,0]=2 914 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,1,0,0,0,1|0,0,0]=2 915 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,0,1|1,0,0]=3 916 B11R1.20 C1=CC(=CC=C1N)N=C(N)N PI-47263 [0,1,0,0,0,1|2,0,0]=4 917 B11R1.20 C1=CC(=CC=C1N=C(N)N)I PI-47260 [0,1,0,0,0,1|2,0,0]=4 918 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,1,0,0,0,1|1,0,0]=3 919 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,1,0,0,0,1|1,0,0]=3 920 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,0,1|1,0,0]=3 921 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,0,0,0,1|1,0,0]=3 922 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,0,0,0,1|1,0,0]=3 923 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,0,1|1,0,0]=3 924 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,0,0,0,1|1,0,0]=3 925 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [0,1,0,0,0,1|2,0,0]=4 926 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,0,1|1,0,0]=3 927 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,0,0,0,1|1,0,0]=3 928 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,0,0,0,1|1,0,0]=3 929 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,0,0,0,1|1,0,0]=3 930 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,0,0,0,1|1,0,0]=3 931 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,1,0,0,0,1|0,0,0]=2 932 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,1,0,0,0,1|1,0,0]=3 933 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [0,1,0,0,0,1|1,1,0]=4 934 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,1,0,0,0,1|1,0,0]=3 935 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,1,0,0,0,1|1,0,0]=3 936 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,1,0,0,0,1|1,0,0]=3 937 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [0,1,0,0,0,1|1,1,0]=4 938 B11R1.20 NC(=S)Nc1ccc(cc1)Br PI-22567 [0,1,0,0,0,1|1,1,0]=4 939 B11R1.20 NC(=S)Nc1ccc(cc1)Cl PI-30541 [0,1,0,0,0,1|1,1,0]=4 940 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [0,1,0,0,0,1|1,1,0]=4 941 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,1,0,0,0,1|0,0,0]=2 942 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,1,0,0,0,1|0,0,0]=2 943 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,0,0,0,1|0,0,0]=2 944 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,1,0,0,0,1|0,0,0]=2 945 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,0,0,0,1|0,0,0]=2 946 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,0,0,0,1|0,0,0]=2 947 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,0,0,0,1|0,0,0]=2 948 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [0,1,0,0,0,1|1,0,0]=3 949 B11R1.36 C1C=CCC(=C1)C(C(=O)O)N PI-28324 [0,1,0,0,0,1|0,0,2]=4 950 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,0,0,0,1|0,0,0]=2 951 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,0,0,0,1|0,0,0]=2 952 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,0,0,0,1|0,0,0]=2 953 B11R1.36 CN(C1=CC=CC=C1)C(=S)Cl PI-24196 [0,1,0,0,0,1|1,1,0]=4 954 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,0,0,0,1|0,0,0]=2 955 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,0,0,0,1|0,0,0]=2 956 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,1,0,0,0,1|1,0,0]=3 957 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,0,1|1,0,0]=3 958 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,0,0,0,1|0,0,0]=2 959 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,0,0,0,1|0,0,0]=2 960 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,0,0,0,1|0,0,0]=2 961 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [0,1,0,0,0,1|1,0,0]=3 962 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,1,0,0,0,1|1,0,0]=3 963 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,1,0,0,0,1|1,1,0]=4 964 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,1,0,0,0,1|1,0,0]=3 965 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,0,0,0,1|1,0,0]=3 966 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,1,0,0,0,1|1,1,0]=4 967 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,1,0,0,0,1|1,1,0]=4 968 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,1,0,0,0,1|1,0,0]=3 969 B11R1.40 COC(=O)CC1=NC=CN=C1 PI-29522 [0,1,0,0,0,1|2,0,0]=4 970 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,1,0,0,0,1|1,0,0]=3 971 B11R1.40 O=C(OC)CC1=NC=CC=N1 PI-46781 [0,1,0,0,0,1|2,0,0]=4 972 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,1,0,0,0,1|1,0,1]=4 973 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,1,0,0,0,1|1,0,1]=4 974 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,1,0,0,0,1|0,0,0]=2 975 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,1,0,0,0,1|0,0,0]=2 976 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,0,0,0,1|1,0,0]=3 977 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,1,0,0,0,1|1,0,0]=3 978 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,1,0,0,0,1|1,0,0]=3 979 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,1,0,0,0,1|1,0,0]=3 980 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,1,0,0,0,1|1,0,0]=3 981 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,1,0,0,0,1|1,0,0]=3 982 B11R1.86 CC1=CC=CC=C1N=C(N)N PI-47265 [0,1,0,0,0,1|2,0,0]=4 983 B11R1.86 CC1=CC=CC=C1NC(=S)N PI-24519 [0,1,0,0,0,1|1,1,0]=4 984 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,1,0,0,0,1|1,0,0]=3 985 B11R1.86 NC(=S)Nc1ccccc1Br PI-22565 [0,1,0,0,0,1|1,1,0]=4 986 B11R1.86 NC(=S)Nc1ccccc1F PI-29832 [0,1,0,0,0,1|1,1,0]=4 987 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,1,0,0,0,1|0,0,0]=2 988 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,1,0,0,0,1|0,0,0]=2 989 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,1,0,0,0,1|0,0,0]=2 990 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,1,0,0,0,1|0,0,0]=2 991 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,1,0,0,0,1|0,0,0]=2 992 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,1,0,0,0,1|0,0,0]=2 993 B11R1.157 C1=CC(=CC(=C1)Cl)N=C(N)N PI-47259 [0,1,0,0,0,1|2,0,0]=4 994 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,1,0,0,0,1|0,0,0]=2 995 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,0,0,0,1|1,0,0]=3 996 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,1,0,0,0,1|1,0,0]=3 997 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,0,0,0,1|1,0,0]=3 998 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,1,0,0,0,1|1,0,0]=3 999 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,0,0,0,1|1,0,0]=3 1000 B11R1.157 CC1=CC(=CC=C1)NC(=S)N PI-24525 [0,1,0,0,0,1|1,1,0]=4 1001 B11R1.157 CC1=NC(=CC=C1)NC(=O)C PI-46994 [0,1,0,0,0,1|2,0,0]=4 1002 B11R1.157 NC(=S)Nc1cccc(c1)Br PI-22566 [0,1,0,0,0,1|1,1,0]=4 1003 B11R1.157 NC(=S)Nc1cccc(c1)Cl PI-40813 [0,1,0,0,0,1|1,1,0]=4 1004 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,1,0,0,0,1|0,0,0]=2 1005 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,1,0,0,0,1|0,0,0]=2 1006 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,1,0,0,0,1|0,0,0]=2 1007 B11R1.509 C1=CC=C(C=C1)OP(=O)(Cl)Cl PI-44900 [0,1,0,0,0,1|2,0,0]=4 1008 B11R1.509 C1=CC=C(C=C1)OP(=O)(Cl)Cl PI-44923 [0,1,0,0,0,1|2,0,0]=4 1009 B11R1.509 C1=CC=C(C=C1)OP(=O)(N)N PI-30898 [0,1,0,0,0,1|2,0,0]=4 1010 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [0,1,0,0,0,1|1,0,1]=4 1011 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 PI-13514 [0,1,0,0,0,1|1,0,1]=4 1012 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 PI-12785 [0,1,0,0,0,1|1,0,1]=4 1013 B11R1.509 ClS(=O)(=O)Cc1ccccc1 PI-30257 [0,1,0,0,0,1|1,0,1]=4 1014 B11R1.509 NS(=O)(=O)Cc1ccccc1 PI-30638 [0,1,0,0,0,1|1,0,1]=4 1015 B11R1.509 OP(=O)(Cc1ccccc1)O PI-30850 [0,1,0,0,0,1|1,0,0]=3 1016 B11R1.3 B(C1=CC=C(C=C1)CBr)(O)O PI-25789 [0,2,0,0,0,0|1,0,1]=4 1017 B11R1.3 B(C1=CC=C(C=C1)SC)(O)O PI-23605 [0,2,0,0,0,0|1,0,1]=4 1018 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,2,0,0,0,0|0,0,0]=2 1019 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [0,2,0,0,0,0|0,0,0]=2 1020 B11R1.3 C#CC1=CC=C(C=C1)[N+](=O)[O-] PI-30982 [0,2,0,0,0,0|1,0,1]=4 1021 B11R1.3 C#Cc1ccc(cc1)B(O)O PI-38738 [0,2,0,0,0,0|1,0,1]=4 1022 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [0,2,0,0,0,0|0,0,0]=2 1023 B11R1.3 C1=CC(=CC=C1CN)[N+](=O)[O-] PI-41579 [0,2,0,0,0,0|1,0,1]=4 1024 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,2,0,0,0,0|0,0,0]=2 1025 B11R1.3 C1=CC(=NC=C1C(=O)O)NN PI-35028 [0,2,0,0,0,0|1,0,0]=3 1026 B11R1.3 C1=CC(=NC=C1C=O)C(=O)O PI-43981 [0,2,0,0,0,0|1,0,0]=3 1027 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [0,2,0,0,0,0|0,0,0]=2 1028 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,2,0,0,0,0|1,0,0]=3 1029 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,2,0,0,0,0|1,0,0]=3 1030 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,2,0,0,0,0|1,0,1]=4 1032 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,2,0,0,0,0|1,0,0]=3 1033 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [0,2,0,0,0,0|1,0,0]=3 1035 B11R1.3 CCc1ccc(cc1)B(O)O PI-28704 [0,2,0,0,0,0|1,0,1]=4 1036 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] PI-26020 [0,2,0,0,0,0|1,0,1]=4 1037 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [0,2,0,0,0,0|1,0,0]=3 1038 B11R1.3 COc1ccc(cc1)B(O)O PI-11577 [0,2,0,0,0,0|1,0,1]=4 1039 B11R1.3 COc1ccc(cc1)C(=N)N PI-38826 [0,2,0,0,0,0|2,0,0]=4 1040 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,2,0,0,0,0|0,0,0]=2 1041 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [0,2,0,0,0,0|1,0,0]=3 1042 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,2,0,0,0,0|1,0,0]=3 1043 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,2,0,0,0,0|1,0,0]=3 1044 B11R1.3 COc1ncc(nc1)C(=O)O PI-38849 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] PI-12010 [0,2,0,0,0,0|1,0,1]=4 1046 B11R1.3 C[C@@H](C1=CC=C(C=C1)C#N)O PI-49825 [0,2,0,0,0,0|1,0,1]=4 1047 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,2,0,0,0,0|1,0,1]=4 1048 B11R1.3 C[C@H](C1=CC=C(C=C1)C#N)O PI-49824 [0,2,0,0,0,0|1,0,1]=4 1049 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,2,0,0,0,0|0,0,0]=2 1050 B11R1.3 N#Cc1ccc(cc1)B(O)O PI-16439 [0,2,0,0,0,0|1,0,1]=4 1051 B11R1.3 N#Cc1ccc(cc1)C(=O)Cl PI-20292 [0,2,0,0,0,0|1,0,0]=3 1052 B11R1.3 N#Cc1ccc(cc1)[N+](=O)[O-] PI-10999 [0,2,0,0,0,0|1,0,1]=4 1053 B11R1.3 NC(=O)C1=CC=C(C=C1)C#N PI-30451 [0,2,0,0,0,0|1,0,0]=3 1054 B11R1.3 NCC1=CC=C([N+]([O-])=O)C=C1 PI-26234 [0,2,0,0,0,0|1,0,1]=4 1055 B11R1.3 NCc1ccc(cc1)B(O)O PI-25826 [0,2,0,0,0,0|1,0,1]=4 1056 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,2,0,0,0,0|0,0,0]=2 1057 B11R1.3 NNc1ccc(cc1)[N+](=O)[O-] PI-15513 [0,2,0,0,0,0|1,0,1]=4 1058 B11R1.3 NNc1ccc(cc1)[N+](=O)[O-] PI-16510 [0,2,0,0,0,0|1,0,1]=4 1059 B11R1.3 O=C(N)C1=CC=C(NN)C=C1 PI-41015 [0,2,0,0,0,0|1,0,0]=3 1060 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,2,0,0,0,0|0,0,0]=2 1061 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [0,2,0,0,0,0|0,0,0]=2 1062 B11R1.3 O=Cc1ccc(cc1)B(O)O PI-16440 [0,2,0,0,0,0|1,0,1]=4 1063 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [0,2,0,0,0,0|0,0,0]=2 1064 B11R1.3 O=Cc1ccc(cc1)[N+](=O)[O-] PI-12008 [0,2,0,0,0,0|1,0,1]=4 1065 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [0,2,0,0,0,0|0,0,0]=2 1066 B11R1.3 OCc1ccc(cc1)B(O)O PI-25712 [0,2,0,0,0,0|1,0,1]=4 1067 B11R1.3 OCc1ccc(cc1)[N+](=O)[O-] PI-32225 [0,2,0,0,0,0|1,0,1]=4 1068 B11R1.3 [C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-] PI-48992 [0,2,0,0,0,0|1,0,1]=4 1069 B11R1.19 Brc1ccc(cc1)S(=O)(=O)C PI-22518 [0,2,0,0,0,0|1,0,1]=4 1070 B11R1.19 Brc1ccc(cc1)S(=O)(=O)N PI-38845 [0,2,0,0,0,0|1,0,1]=4 1071 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)Cl PI-16934 [0,2,0,0,0,0|1,0,1]=4 1072 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)O PI-28451 [0,2,0,0,0,0|1,0,0]=3 1073 B11R1.19 C1=CC(=CC=C1S(=O)(=O)Cl)I PI-21383 [0,2,0,0,0,0|1,0,1]=4 1074 B11R1.19 C1=CC(=CC=C1S(=O)(=O)O)Cl PI-21379 [0,2,0,0,0,0|1,0,0]=3 1075 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C PI-25437 [0,2,0,0,0,0|1,0,1]=4 1076 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)F PI-24422 [0,2,0,0,0,0|1,0,1]=4 1077 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-48935 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-49467 [0,2,0,0,0,0|1,0,0]=3 1079 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] PI-18245 [0,2,0,0,0,0|1,0,1]=4 1080 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] PI-30710 [0,2,0,0,0,0|1,0,1]=4 1081 B11R1.19 CC1=CC=C(S(=O)([O-])=O)C=C1 PI-10885 [0,2,0,0,0,0|1,0,1]=4 1082 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N PI-12897 [0,2,0,0,0,0|1,0,1]=4 1083 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O PI-37598 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] PI-23777 [0,2,0,0,0,0|1,0,1]=4 1085 B11R1.19 ClS(=O)(=O)c1ccc(Br)cc1 PI-21377 [0,2,0,0,0,0|1,0,1]=4 1086 B11R1.19 Fc1ccc(cc1)S(=O)(=O)N PI-10430 [0,2,0,0,0,0|1,0,1]=4 1087 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O PI-41319 [0,2,0,0,0,0|1,0,0]=3 1088 B11R1.19 O=S(C1=CC=C(F)C=C1)(C)=O PI-29606 [0,2,0,0,0,0|1,0,1]=4 1089 B11R1.19 Oc1ccc(cc1)S(=O)(=O)C PI-27192 [0,2,0,0,0,0|1,0,1]=4 1090 B11R1.19 Oc1ccc(cc1)S(=O)(=O)Cl PI-39391 [0,2,0,0,0,0|1,0,1]=4 1091 B11R1.19 Oc1ccc(cc1)S(=O)(=O)N PI-20732 [0,2,0,0,0,0|1,0,1]=4 1092 B11R1.21 B(C1=CC(=C(C=C1)Br)F)(O)O PI-14427 [0,2,0,0,0,0|1,0,1]=4 1093 B11R1.21 B(C1=CC(=C(C=C1)C)C)(O)O PI-25668 [0,2,0,0,0,0|1,0,1]=4 1094 B11R1.21 B(C1=CC(=C(C=C1)C)Cl)(O)O PI-25257 [0,2,0,0,0,0|1,0,1]=4 1095 B11R1.21 B(C1=CC(=C(C=C1)C)F)(O)O PI-25232 [0,2,0,0,0,0|1,0,1]=4 1096 B11R1.21 B(C1=CC(=C(C=C1)C)N)(O)O PI-25361 [0,2,0,0,0,0|1,0,1]=4 1097 B11R1.21 B(C1=CC(=C(C=C1)Cl)C)(O)O PI-20170 [0,2,0,0,0,0|1,0,1]=4 1098 B11R1.21 B(C1=CC(=C(C=C1)F)Cl)(O)O PI-16842 [0,2,0,0,0,0|1,0,1]=4 1099 B11R1.21 B(C1=CC(=C(C=C1)O)C)(O)O PI-49991 [0,2,0,0,0,0|1,0,1]=4 1100 B11R1.21 B(C1=CC(=C(C=C1)O)Cl)(O)O PI-49917 [0,2,0,0,0,0|1,0,1]=4 1101 B11R1.21 B(C1=CC(=C(C=C1)O)F)(O)O PI-49906 [0,2,0,0,0,0|1,0,1]=4 1102 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,2,0,0,0,0|0,0,0]=2 1103 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Cl PI-16724 [0,2,0,0,0,0|1,0,0]=3 1104 B11R1.21 C1=C(C=NC(=C1Br)F)C(=O)O PI-36514 [0,2,0,0,0,0|1,0,0]=3 1105 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O PI-16262 [0,2,0,0,0,0|1,0,0]=3 1106 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1F)C PI-16887 [0,2,0,0,0,0|1,0,1]=4 1107 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Br)F PI-14433 [0,2,0,0,0,0|1,0,0]=3 1108 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [0,2,0,0,0,0|1,0,0]=3 1109 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F PI-34234 [0,2,0,0,0,0|1,0,0]=3 1110 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)F)F PI-32220 [0,2,0,0,0,0|1,0,0]=3 1111 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [0,2,0,0,0,0|1,0,0]=3 1112 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [0,2,0,0,0,0|1,0,0]=3 1113 B11R1.21 C1=CC(=C(C=C1C(=O)N)O)O PI-11250 [0,2,0,0,0,0|1,0,0]=3 1114 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [0,2,0,0,0,0|0,0,0]=2 1115 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [0,2,0,0,0,0|0,0,0]=2 1116 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [0,2,0,0,0,0|0,0,0]=2 1117 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [0,2,0,0,0,0|0,0,0]=2 1118 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [0,2,0,0,0,0|0,0,0]=2 1119 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [0,2,0,0,0,0|0,0,0]=2 1120 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [0,2,0,0,0,0|0,0,0]=2 1121 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [0,2,0,0,0,0|0,0,0]=2 1122 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [0,2,0,0,0,0|0,0,0]=2 1123 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [0,2,0,0,0,0|0,0,0]=2 1124 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [0,2,0,0,0,0|0,0,0]=2 1125 B11R1.21 C1=CC(=C(C=C1C(=S)N)Cl)F PI-17455 [0,2,0,0,0,0|1,1,0]=4 1126 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Br)Cl PI-14393 [0,2,0,0,0,0|1,0,1]=4 1127 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)F PI-16935 [0,2,0,0,0,0|1,0,1]=4 1128 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)I PI-19561 [0,2,0,0,0,0|1,0,1]=4 1129 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)Br PI-34345 [0,2,0,0,0,0|1,0,1]=4 1130 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)Cl PI-10723 [0,2,0,0,0,0|1,0,1]=4 1131 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)I PI-10724 [0,2,0,0,0,0|1,0,1]=4 1132 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])I)O PI-29966 [0,2,0,0,0,0|1,0,1]=4 1133 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)Br PI-24032 [0,2,0,0,0,0|1,0,1]=4 1134 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)Cl PI-32426 [0,2,0,0,0,0|1,0,1]=4 1135 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)F PI-16945 [0,2,0,0,0,0|1,0,1]=4 1136 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)N PI-30685 [0,2,0,0,0,0|1,0,1]=4 1137 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])O)Cl PI-28691 [0,2,0,0,0,0|1,0,1]=4 1138 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [0,2,0,0,0,0|1,0,0]=3 1139 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [0,2,0,0,0,0|1,0,0]=3 1140 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [0,2,0,0,0,0|1,0,0]=3 1141 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [0,2,0,0,0,0|1,0,0]=3 1142 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [0,2,0,0,0,0|1,0,0]=3 1143 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [0,2,0,0,0,0|1,0,0]=3 1144 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [0,2,0,0,0,0|1,0,0]=3 1145 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [0,2,0,0,0,0|1,0,0]=3 1146 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [0,2,0,0,0,0|1,0,0]=3 1147 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [0,2,0,0,0,0|1,0,0]=3 1148 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [0,2,0,0,0,0|1,0,0]=3 1149 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F PI-23735 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [0,2,0,0,0,0|1,0,0]=3 1151 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [0,2,0,0,0,0|1,0,0]=3 1152 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [0,2,0,0,0,0|1,0,0]=3 1153 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [0,2,0,0,0,0|1,0,0]=3 1154 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [0,2,0,0,0,0|1,0,0]=3 1155 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [0,2,0,0,0,0|1,0,0]=3 1156 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [0,2,0,0,0,0|1,0,0]=3 1157 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,2,0,0,0,0|0,0,0]=2 1158 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,2,0,0,0,0|0,0,0]=2 1159 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,2,0,0,0,0|0,0,0]=2 1160 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,2,0,0,0,0|0,0,0]=2 1161 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-34331 [0,2,0,0,0,0|1,0,1]=4 1162 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I PI-26904 [0,2,0,0,0,0|1,0,1]=4 1163 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O PI-28629 [0,2,0,0,0,0|1,0,1]=4 1164 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [0,2,0,0,0,0|1,0,0]=3 1165 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F PI-23750 [0,2,0,0,0,0|1,0,0]=3 1166 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)Br PI-30206 [0,2,0,0,0,0|1,0,0]=3 1167 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N PI-35808 [0,2,0,0,0,0|1,0,0]=3 1168 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,2,0,0,0,0|0,0,0]=2 1169 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,2,0,0,0,0|0,0,0]=2 1170 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,2,0,0,0,0|0,0,0]=2 1171 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,2,0,0,0,0|0,0,0]=2 1172 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])Br PI-22210 [0,2,0,0,0,0|1,0,1]=4 1173 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])F PI-31201 [0,2,0,0,0,0|1,0,1]=4 1174 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])I PI-26715 [0,2,0,0,0,0|1,0,1]=4 1175 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])O PI-42105 [0,2,0,0,0,0|1,0,1]=4 1176 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,2,0,0,0,0|1,0,0]=3 1177 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O PI-11485 [0,2,0,0,0,0|2,0,0]=4 1178 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [0,2,0,0,0,0|1,0,0]=3 1179 B11R1.21 NC(=N)c1ccc(c(c1)N)N PI-38924 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.21 Nc1ccc(cc1F)[N+]([O-])=O PI-34505 [0,2,0,0,0,0|1,0,1]=4 1181 B11R1.21 O=C(N)C1=CC=C(F)C(C)=C1 PI-23732 [0,2,0,0,0,0|1,0,0]=3 1182 B11R1.21 O=C(N)C1=CC=C(F)C(Cl)=C1 PI-20058 [0,2,0,0,0,0|1,0,0]=3 1183 B11R1.21 O=C(N)C1=CC=C(F)C(F)=C1 PI-30958 [0,2,0,0,0,0|1,0,0]=3 1184 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 PI-28135 [0,2,0,0,0,0|1,0,1]=4 1185 B11R1.21 OB(c1ccc(c(c1)C)F)O PI-16844 [0,2,0,0,0,0|1,0,1]=4 1186 B11R1.21 OB(c1ccc(c(c1)Cl)Cl)O PI-14297 [0,2,0,0,0,0|1,0,1]=4 1187 B11R1.21 OB(c1ccc(c(c1)F)F)O PI-16839 [0,2,0,0,0,0|1,0,1]=4 1188 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [0,2,0,0,0,0|0,0,0]=2 1189 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,2,0,0,0,0|0,0,0]=2 1190 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [0,2,0,0,0,0|0,0,0]=2 1191 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,2,0,0,0,0|0,0,0]=2 1192 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [0,2,0,0,0,0|0,0,0]=2 1193 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [0,2,0,0,0,0|0,0,0]=2 1194 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,2,0,0,0,0|0,0,0]=2 1195 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [0,2,0,0,0,0|0,0,0]=2 1196 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [0,2,0,0,0,0|0,0,0]=2 1197 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [0,2,0,0,0,0|0,0,0]=2 1198 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [0,2,0,0,0,0|0,0,0]=2 1199 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [0,2,0,0,0,0|0,0,0]=2 1200 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [0,2,0,0,0,0|0,0,0]=2 1201 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [0,2,0,0,0,0|0,0,0]=2 1202 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [0,2,0,0,0,0|0,0,0]=2 1203 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [0,2,0,0,0,0|1,0,0]=3 1204 B11R1.21 OC(=O)c1cnc(c(c1)Br)Cl PI-34711 [0,2,0,0,0,0|1,0,0]=3 1205 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [0,2,0,0,0,0|1,0,0]=3 1206 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [0,2,0,0,0,0|1,0,0]=3 1207 B11R1.21 [O-][N+](=O)c1ccc(Cl)c(C)c1 PI-32802 [0,2,0,0,0,0|1,0,1]=4 1208 B11R1.21 [O-][N+](=O)c1ccc(F)c(F)c1 PI-16944 [0,2,0,0,0,0|1,0,1]=4 1209 B11R1.21 [O-][N+](=O)c1ccc(O)c(Br)c1 PI-29720 [0,2,0,0,0,0|1,0,1]=4 1210 B11R1.21 [O-][N+](=O)c1ccc(O)c(F)c1 PI-28507 [0,2,0,0,0,0|1,0,1]=4 1211 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Br)C PI-11805 [0,2,0,0,0,0|1,0,1]=4 1212 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Br)F PI-21469 [0,2,0,0,0,0|1,0,1]=4 1213 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Cl)N PI-32574 [0,2,0,0,0,0|1,0,1]=4 1214 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Cl)O PI-29782 [0,2,0,0,0,0|1,0,1]=4 1215 B11R1.21 [O-][N+](=O)c1ccc(c(c1)N)O PI-26997 [0,2,0,0,0,0|1,0,1]=4 1216 B11R1.21 [O-][N+](=O)c1ccc(c(c1)O)Br PI-38213 [0,2,0,0,0,0|1,0,1]=4 1217 B11R1.21 [O-][N+](=O)c1ccc(c(c1)O)F PI-34727 [0,2,0,0,0,0|1,0,1]=4 1218 B11R1.22 BrC1=CC=C(C(CBr)=O)C=N1 PI-41793 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,2,0,0,0,0|1,0,0]=3 1220 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,2,0,0,0,0|1,0,0]=3 1221 B11R1.22 C1=CC(=CC=C1C(=NO)N)Br PI-14454 [0,2,0,0,0,0|1,0,0]=3 1222 B11R1.22 C1=CC(=CC=C1C(=NO)N)Cl PI-30654 [0,2,0,0,0,0|1,0,0]=3 1223 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [0,2,0,0,0,0|1,0,0]=3 1224 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [0,2,0,0,0,0|0,0,1]=3 1225 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,2,0,0,0,0|0,0,1]=3 1226 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,2,0,0,0,0|0,0,1]=3 1227 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,2,0,0,0,0|1,0,0]=3 1228 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,2,0,0,0,0|1,0,0]=3 1229 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,2,0,0,0,0|1,0,0]=3 1230 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,2,0,0,0,0|1,0,0]=3 1231 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,2,0,0,0,0|1,0,0]=3 1232 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,2,0,0,0,0|1,0,0]=3 1233 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,2,0,0,0,0|1,0,0]=3 1234 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,2,0,0,0,0|0,0,0]=2 1235 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,2,0,0,0,0|0,0,0]=2 1236 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,2,0,0,0,0|0,0,0]=2 1237 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [0,2,0,0,0,0|1,0,0]=3 1238 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [0,2,0,0,0,0|1,0,0]=3 1239 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [0,2,0,0,0,0|1,0,0]=3 1240 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [0,2,0,0,0,0|1,0,0]=3 1241 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,2,0,0,0,0|1,0,0]=3 1242 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,2,0,0,0,0|1,0,1]=4 1243 B11R1.22 C1=CC(=NC=C1C(=O)NN)Cl PI-50259 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.22 C1=CC(=NC=C1C(=O)NN)N PI-36889 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [0,2,0,0,0,0|1,0,0]=3 1246 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [0,2,0,0,0,0|1,0,0]=3 1247 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,2,0,0,0,0|1,0,0]=3 1248 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,2,0,0,0,0|1,0,0]=3 1249 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,2,0,0,0,0|1,0,0]=3 1250 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,2,0,0,0,0|0,0,0]=2 1251 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,2,0,0,0,0|1,0,0]=3 1252 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,2,0,0,0,0|1,0,0]=3 1253 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [0,2,0,0,0,0|1,0,0]=3 1254 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,2,0,0,0,0|0,0,0]=2 1255 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,2,0,0,0,0|0,0,0]=2 1256 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,2,0,0,0,0|0,0,0]=2 1257 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [0,2,0,0,0,0|1,0,0]=3 1258 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl PI-40861 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [0,2,0,0,0,0|1,0,0]=3 1261 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,2,0,0,0,0|0,0,0]=2 1262 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,2,0,0,0,0|1,0,0]=3 1263 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [0,2,0,0,0,0|1,0,0]=3 1264 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [0,2,0,0,0,0|1,0,0]=3 1265 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [0,2,0,0,0,0|0,0,0]=2 1267 B11R1.22 NNC(=O)c1ccc(C)nc1 PI-24807 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,2,0,0,0,0|1,0,0]=3 1269 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [0,2,0,0,0,0|1,0,0]=3 1270 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,2,0,0,0,0|0,0,0]=2 1271 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [0,2,0,0,0,0|1,0,0]=3 1272 B11R1.166 B(C1=C(C=C(C=C1)Br)F)(O)O PI-14426 [0,2,0,0,0,0|1,0,1]=4 1273 B11R1.166 B(C1=C(C=C(C=C1)C)C)(O)O PI-25669 [0,2,0,0,0,0|1,0,1]=4 1274 B11R1.166 B(C1=C(C=C(C=C1)C)Cl)(O)O PI-19135 [0,2,0,0,0,0|1,0,1]=4 1275 B11R1.166 B(C1=C(C=C(C=C1)Cl)C)(O)O PI-19305 [0,2,0,0,0,0|1,0,1]=4 1276 B11R1.166 B(C1=C(C=C(C=C1)F)C)(O)O PI-23765 [0,2,0,0,0,0|1,0,1]=4 1277 B11R1.166 B(C1=C(C=C(C=C1)F)Cl)(O)O PI-10412 [0,2,0,0,0,0|1,0,1]=4 1278 B11R1.166 B(C1=C(C=C(C=C1)I)F)(O)O PI-16841 [0,2,0,0,0,0|1,0,1]=4 1279 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,2,0,0,0,0|1,0,0]=3 1280 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,2,0,0,0,0|0,0,0]=2 1281 B11R1.166 Brc1ccc([N+](=O)[O-])c(F)c1 PI-10417 [0,2,0,0,0,0|1,0,1]=4 1282 B11R1.166 Brc1ccc(c(c1)N)[N+](=O)[O-] PI-39432 [0,2,0,0,0,0|1,0,1]=4 1283 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,2,0,0,0,0|0,0,0]=2 1284 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,2,0,0,0,0|0,0,0]=2 1285 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,2,0,0,0,0|0,0,0]=2 1286 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N PI-30371 [0,2,0,0,0,0|1,0,0]=3 1287 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)Cl PI-11845 [0,2,0,0,0,0|1,0,0]=3 1288 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N PI-35500 [0,2,0,0,0,0|1,0,0]=3 1289 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] PI-11297 [0,2,0,0,0,0|1,0,1]=4 1290 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,2,0,0,0,0|0,0,0]=2 1291 B11R1.166 C1=CC(=C(C=C1Cl)O)[N+](=O)[O-] PI-37794 [0,2,0,0,0,0|1,0,1]=4 1292 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,2,0,0,0,0|0,0,0]=2 1293 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl PI-20069 [0,2,0,0,0,0|1,0,0]=3 1294 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)N PI-20057 [0,2,0,0,0,0|1,0,0]=3 1295 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,2,0,0,0,0|0,0,0]=2 1296 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl PI-14894 [0,2,0,0,0,0|1,0,0]=3 1297 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N PI-31316 [0,2,0,0,0,0|1,0,0]=3 1298 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,2,0,0,0,0|0,0,0]=2 1299 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] PI-16979 [0,2,0,0,0,0|1,0,1]=4 1300 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,2,0,0,0,0|0,0,0]=2 1301 B11R1.166 C1=CC(=C(C=C1N)Cl)[N+](=O)[O-] PI-26933 [0,2,0,0,0,0|1,0,1]=4 1302 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,2,0,0,0,0|0,0,0]=2 1303 B11R1.166 C1=CC(=C(C=C1O)Cl)[N+](=O)[O-] PI-35943 [0,2,0,0,0,0|1,0,1]=4 1304 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,2,0,0,0,0|0,0,0]=2 1305 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,2,0,0,0,0|0,0,0]=2 1306 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,2,0,0,0,0|1,0,0]=3 1307 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,2,0,0,0,0|1,0,0]=3 1308 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,2,0,0,0,0|1,0,0]=3 1309 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,2,0,0,0,0|1,0,0]=3 1310 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,2,0,0,0,0|1,0,0]=3 1311 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,2,0,0,0,0|1,0,0]=3 1312 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,2,0,0,0,0|1,0,0]=3 1313 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,2,0,0,0,0|1,0,0]=3 1314 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,2,0,0,0,0|1,0,0]=3 1315 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,2,0,0,0,0|1,0,0]=3 1316 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,2,0,0,0,0|1,0,0]=3 1317 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,2,0,0,0,0|1,0,0]=3 1318 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)Cl PI-39384 [0,2,0,0,0,0|1,0,0]=3 1319 B11R1.166 CC1=C(C=CC(=C1)Cl)[N+](=O)[O-] PI-26718 [0,2,0,0,0,0|1,0,1]=4 1320 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,2,0,0,0,0|0,0,0]=2 1321 B11R1.166 CC1=C(C=CC(=C1)N)[N+](=O)[O-] PI-26795 [0,2,0,0,0,0|1,0,1]=4 1322 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,2,0,0,0,0|1,0,0]=3 1323 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-12007 [0,2,0,0,0,0|1,0,1]=4 1324 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,2,0,0,0,0|1,0,0]=3 1325 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,2,0,0,0,0|1,0,0]=3 1326 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,2,0,0,0,0|0,0,0]=2 1327 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,2,0,0,0,0|0,0,0]=2 1328 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,2,0,0,0,0|0,0,0]=2 1329 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Cl PI-16550 [0,2,0,0,0,0|1,0,1]=4 1330 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F PI-10269 [0,2,0,0,0,0|1,0,1]=4 1331 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])I PI-19675 [0,2,0,0,0,0|1,0,1]=4 1332 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N PI-26762 [0,2,0,0,0,0|1,0,1]=4 1333 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])O PI-28770 [0,2,0,0,0,0|1,0,1]=4 1334 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O PI-13132 [0,2,0,0,0,0|1,0,0]=3 1335 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O PI-18513 [0,2,0,0,0,0|1,0,0]=3 1336 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [0,2,0,0,0,0|1,0,0]=3 1337 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,2,0,0,0,0|0,0,0]=2 1338 B11R1.166 Cc1ccc(c(c1)F)B(O)O PI-25239 [0,2,0,0,0,0|1,0,1]=4 1339 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,2,0,0,0,0|1,0,0]=3 1340 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,2,0,0,0,0|0,0,0]=2 1341 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,2,0,0,0,0|1,0,0]=3 1342 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)Cl PI-31177 [0,2,0,0,0,0|1,0,0]=3 1343 B11R1.166 Clc1ccc(B(O)O)c(F)c1 PI-25209 [0,2,0,0,0,0|1,0,1]=4 1344 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,2,0,0,0,0|0,0,0]=2 1345 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,2,0,0,0,0|0,0,0]=2 1346 B11R1.166 Clc1ccc(C(=S)N)c(Cl)c1 PI-30416 [0,2,0,0,0,0|1,1,0]=4 1347 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,2,0,0,0,0|0,0,0]=2 1348 B11R1.166 Clc1ccc(c(c1)Cl)B(O)O PI-11579 [0,2,0,0,0,0|1,0,1]=4 1349 B11R1.166 Clc1ccc(c(c1)F)[N+](=O)[O-] PI-28769 [0,2,0,0,0,0|1,0,1]=4 1350 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,2,0,0,0,0|1,0,0]=3 1351 B11R1.166 Fc1ccc(B(O)O)c(F)c1 PI-28150 [0,2,0,0,0,0|1,0,1]=4 1352 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,2,0,0,0,0|0,0,0]=2 1353 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,2,0,0,0,0|0,0,0]=2 1354 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,2,0,0,0,0|0,0,0]=2 1355 B11R1.166 Fc1ccc([N+](=O)[O-])c(Br)c1 PI-34343 [0,2,0,0,0,0|1,0,1]=4 1356 B11R1.166 Fc1ccc(c(c1)C)[N+](=O)[O-] PI-16978 [0,2,0,0,0,0|1,0,1]=4 1357 B11R1.166 Fc1ccc(c(c1)Cl)[N+](=O)[O-] PI-10433 [0,2,0,0,0,0|1,0,1]=4 1358 B11R1.166 Fc1ccc(c(c1)F)[N+](=O)[O-] PI-15216 [0,2,0,0,0,0|1,0,1]=4 1359 B11R1.166 Fc1cnc(c(c1)F)C(=O)O PI-38255 [0,2,0,0,0,0|1,0,0]=3 1360 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,2,0,0,0,0|0,0,0]=2 1361 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,2,0,0,0,0|1,0,0]=3 1362 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,2,0,0,0,0|0,0,0]=2 1363 B11R1.166 Nc1ccc(c(c1)F)[N+](=O)[O-] PI-29376 [0,2,0,0,0,0|1,0,1]=4 1364 B11R1.166 Nc1ccc(c(c1)N)[N+](=O)[O-] PI-11302 [0,2,0,0,0,0|1,0,1]=4 1365 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,2,0,0,0,0|1,0,0]=3 1366 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,2,0,0,0,0|0,0,0]=2 1367 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl PI-38189 [0,2,0,0,0,0|1,0,0]=3 1368 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,2,0,0,0,0|1,0,0]=3 1369 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,2,0,0,0,0|0,0,0]=2 1370 B11R1.166 Oc1ccc(c(c1)C)B(O)O PI-19648 [0,2,0,0,0,0|1,0,1]=4 1371 B11R1.166 Oc1ccc(c(c1)F)[N+](=O)[O-] PI-16955 [0,2,0,0,0,0|1,0,1]=4 1372 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [0,2,0,0,0,0|1,0,0]=3 1373 B11R1.7 C#CC(c1ccccc1)(O)C PI-39335 [0,2,0,0,0,0|1,0,1]=4 1374 B11R1.7 C1=C([S](C=C)(=O)=O)C=CC=C1 PI-13118 [0,2,0,0,0,0|1,0,1]=4 1375 B11R1.7 C1=CC=C(C=C1)S(=O)(=O)CF PI-46454 [0,2,0,0,0,0|1,0,1]=4 1376 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 PI-29736 [0,2,0,0,0,0|1,0,1]=4 1377 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 PI-37901 [0,2,0,0,0,0|1,0,0]=3 1378 B11R1.16 C1=CC(=CN=C1)C(=O)NCO PI-10800 [0,2,0,0,0,0|1,0,0]=3 1379 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [0,2,0,0,0,0|0,0,1]=3 1380 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [0,2,0,0,0,0|1,0,1]=4 1381 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [0,2,0,0,0,0|1,0,1]=4 1382 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [0,2,0,0,0,0|1,0,1]=4 1383 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [0,2,0,0,0,0|0,0,0]=2 1384 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,2,0,0,0,0|1,0,1]=4 1385 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,2,0,0,0,0|1,0,1]=4 1386 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,2,0,0,0,0|1,0,0]=3 1387 B11R1.16 CCOC(=O)C1=CC=NC=C1 PI-33278 [0,2,0,0,0,0|1,0,0]=3 1388 B11R1.16 CCOC(=O)C1=CN=CC=C1 PI-39994 [0,2,0,0,0,0|1,0,0]=3 1389 B11R1.16 CCOC(=O)c1ccccn1 PI-33276 [0,2,0,0,0,0|1,0,0]=3 1390 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,2,0,0,0,0|0,0,0]=2 1391 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,2,0,0,0,0|0,0,0]=2 1392 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,2,0,0,0,0|1,0,0]=3 1393 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [0,2,0,0,0,0|1,0,1]=4 1394 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [0,2,0,0,0,0|1,0,1]=4 1395 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,2,0,0,0,0|1,0,0]=3 1396 B11R1.16 N#CCC(C1=CC=NC=C1)=O PI-39619 [0,2,0,0,0,0|2,0,0]=4 1397 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,2,0,0,0,0|0,0,0]=2 1398 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [0,2,0,0,0,0|0,0,0]=2 1399 B11R1.16 S=C=NC(=O)c1ccccc1 PI-14851 [0,2,0,0,0,0|0,1,0]=3 1400 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,2,0,0,0,0|1,0,0]=3 1401 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [0,2,0,0,0,0|0,0,0]=2 1402 B11R1.23 C1=C(C=NC=C1Br)C(=O)NN PI-50341 [0,2,0,0,0,0|2,0,0]=4 1403 B11R1.23 C1=CC(=CC(=C1)Br)C(=O)NN PI-20531 [0,2,0,0,0,0|1,0,0]=3 1404 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [0,2,0,0,0,0|1,0,1]=4 1405 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,2,0,0,0,0|1,0,0]=3 1406 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,2,0,0,0,0|1,0,0]=3 1407 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN PI-23137 [0,2,0,0,0,0|1,0,0]=3 1408 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,2,0,0,0,0|1,0,0]=3 1409 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN PI-23455 [0,2,0,0,0,0|1,0,0]=3 1410 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN PI-50336 [0,2,0,0,0,0|1,0,0]=3 1411 B11R1.23 C1=CC(=CC(=C1)N)C(=O)NN PI-30136 [0,2,0,0,0,0|1,0,0]=3 1412 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [0,2,0,0,0,0|1,0,1]=4 1413 B11R1.23 C1=CN=C(C=C1C(=O)NN)N PI-30745 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.23 CC1=CC(=CC=C1)C(=NO)N PI-19541 [0,2,0,0,0,0|1,0,0]=3 1415 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [0,2,0,0,0,0|1,0,0]=3 1416 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,2,0,0,0,0|0,0,0]=2 1417 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,2,0,0,0,0|1,0,0]=3 1418 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,2,0,0,0,0|1,0,0]=3 1419 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,2,0,0,0,0|1,0,0]=3 1420 B11R1.23 CNC(=O)C1=CC(=CC=C1)N PI-17436 [0,2,0,0,0,0|1,0,0]=3 1421 B11R1.23 CNC(=O)c1cc(Cl)ccn1 PI-35278 [0,2,0,0,0,0|2,0,0]=4 1422 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [0,2,0,0,0,0|0,0,0]=2 1423 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [0,2,0,0,0,0|0,0,0]=2 1424 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,2,0,0,0,0|0,0,0]=2 1425 B11R1.23 COC(=O)C1=CC(=NC=C1)Cl PI-35024 [0,2,0,0,0,0|1,0,0]=3 1426 B11R1.23 COC(=O)C1=CN=CC(=N1)Br PI-50062 [0,2,0,0,0,0|2,0,0]=4 1427 B11R1.23 COC(=O)C1=NC(=CC=C1)Cl PI-35288 [0,2,0,0,0,0|1,0,0]=3 1428 B11R1.23 COC(=O)C1=NC(=NC=C1)Cl PI-42080 [0,2,0,0,0,0|2,0,0]=4 1429 B11R1.23 COC(=O)c1cc(Cl)ccn1 PI-34710 [0,2,0,0,0,0|1,0,0]=3 1430 B11R1.23 COC(=O)c1cc(I)ccn1 PI-38432 [0,2,0,0,0,0|1,0,0]=3 1431 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PI-38426 [0,2,0,0,0,0|1,0,0]=3 1432 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [0,2,0,0,0,0|0,0,0]=2 1433 B11R1.23 COC(=O)c1cccc(n1)Br PI-38915 [0,2,0,0,0,0|1,0,0]=3 1434 B11R1.23 COC(=O)c1ccnc(c1)Br PI-39300 [0,2,0,0,0,0|1,0,0]=3 1435 B11R1.23 COC(=O)c1ccnc(c1)N PI-27027 [0,2,0,0,0,0|1,0,0]=3 1436 B11R1.23 COC(=O)c1cncc(Br)c1 PI-22189 [0,2,0,0,0,0|1,0,0]=3 1437 B11R1.23 COC(=O)c1cnnc(c1)Cl PI-38433 [0,2,0,0,0,0|2,0,0]=4 1438 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 PI-46646 [0,2,0,0,0,0|1,0,1]=4 1439 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [0,2,0,0,0,0|0,0,0]=2 1440 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,2,0,0,0,0|1,0,0]=3 1441 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,2,0,0,0,0|1,0,0]=3 1442 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,2,0,0,0,0|1,0,0]=3 1443 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,2,0,0,0,0|1,0,0]=3 1444 B11R1.222 C1=CC(=C(N=C1)N)C(=O)NN PI-50253 [0,2,0,0,0,0|2,0,0]=4 1445 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [0,2,0,0,0,0|1,0,0]=3 1446 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [0,2,0,0,0,0|1,0,0]=3 1447 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [0,2,0,0,0,0|1,0,0]=3 1448 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [0,2,0,0,0,0|1,0,0]=3 1449 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [0,2,0,0,0,0|1,0,0]=3 1450 B11R1.222 CC1=C(C=CC=N1)C(=O)OC PI-13128 [0,2,0,0,0,0|1,0,0]=3 1451 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,2,0,0,0,0|1,0,0]=3 1452 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [0,2,0,0,0,0|1,0,0]=3 1453 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,2,0,0,0,0|1,0,0]=3 1454 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,2,0,0,0,0|1,0,0]=3 1455 B11R1.222 COC(=O)C1=C(C=CC=N1)Cl PI-34713 [0,2,0,0,0,0|1,0,0]=3 1456 B11R1.222 COC(=O)C1=C(C=CN=C1)N PI-33897 [0,2,0,0,0,0|1,0,0]=3 1457 B11R1.222 COC(=O)C1=C(C=NC=C1)O PI-34886 [0,2,0,0,0,0|1,0,0]=3 1458 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl PI-24397 [0,2,0,0,0,0|1,0,0]=3 1459 B11R1.222 COC(=O)C1=C(N=CC=C1)N PI-35287 [0,2,0,0,0,0|1,0,0]=3 1460 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [0,2,0,0,0,0|0,0,0]=2 1461 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [0,2,0,0,0,0|0,0,0]=2 1462 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [0,2,0,0,0,0|0,0,0]=2 1463 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [0,2,0,0,0,0|0,0,0]=2 1464 B11R1.222 COC(=O)C1=NC=CN=C1N PI-10107 [0,2,0,0,0,0|2,0,0]=4 1465 B11R1.222 COC(=O)c1ccccc1I PI-10942 [0,2,0,0,0,0|0,0,0]=2 1466 B11R1.222 COC(=O)c1ccncc1Br PI-38429 [0,2,0,0,0,0|1,0,0]=3 1467 B11R1.222 COC(=O)c1ccncc1Cl PI-36383 [0,2,0,0,0,0|1,0,0]=3 1468 B11R1.222 COC(=O)c1ccncc1N PI-35280 [0,2,0,0,0,0|1,0,0]=3 1469 B11R1.222 COC(=O)c1ncccc1N PI-39311 [0,2,0,0,0,0|1,0,0]=3 1470 B11R1.222 COC(=O)c1ncccc1O PI-31931 [0,2,0,0,0,0|1,0,0]=3 1471 B11R1.222 COC(=O)c1nccnc1Cl PI-38428 [0,2,0,0,0,0|2,0,0]=4 1472 B11R1.222 O=C(C1=CC=CNC1=O)OC PI-40201 [0,2,0,0,0,0|1,0,0]=3 1473 B11R1.222 O=C(C1=NC=CC=C1Br)OC PI-39663 [0,2,0,0,0,0|1,0,0]=3 1474 B11R1.222 OC1=NC=CN=C1C(=O)OC PI-40997 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [0,2,0,0,0,0|0,0,0]=2 1476 B11R1.87 Brc1ccccc1S(=O)(=O)Cl PI-14385 [0,2,0,0,0,0|1,0,1]=4 1477 B11R1.87 C1=CC(=C(N=C1)S(=O)(=O)O)N PI-13182 [0,2,0,0,0,0|2,0,0]=4 1478 B11R1.87 C1=CC=C(C(=C1)F)S(=O)(=O)Cl PI-23452 [0,2,0,0,0,0|1,0,1]=4 1479 B11R1.87 C1=CC=C(C(=C1)F)S(=O)(=O)N PI-23446 [0,2,0,0,0,0|1,0,1]=4 1480 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)Cl)Cl PI-15668 [0,2,0,0,0,0|1,0,1]=4 1481 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)N)Cl PI-23132 [0,2,0,0,0,0|1,0,1]=4 1482 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)O)I PI-48829 [0,2,0,0,0,0|1,0,0]=3 1483 B11R1.87 C1=CNC=C(C1=O)S(=O)(=O)O PI-16728 [0,2,0,0,0,0|2,0,0]=4 1484 B11R1.87 CC(C)(C1=CC=CC=C1Br)O PI-48990 [0,2,0,0,0,0|1,0,1]=4 1485 B11R1.87 CC1=CC=CC=C1S(=O)(=O)Cl PI-50626 [0,2,0,0,0,0|1,0,1]=4 1486 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 PI-42394 [0,2,0,0,0,0|2,0,0]=4 1487 B11R1.87 Ic1ccccc1S(=O)(=O)Cl PI-36530 [0,2,0,0,0,0|1,0,1]=4 1488 B11R1.87 Nc1ccccc1S(=O)(=O)N PI-30481 [0,2,0,0,0,0|1,0,1]=4 1489 B11R1.87 O=S(C1=CC=CC=C1Br)(N)=O PI-14384 [0,2,0,0,0,0|1,0,1]=4 1490 B11R1.155 C1=CC(=CC(=C1)Br)S(=O)(=O)Cl PI-14386 [0,2,0,0,0,0|1,0,1]=4 1491 B11R1.155 C1=CC(=CC(=C1)S(=O)(=O)Cl)F PI-23453 [0,2,0,0,0,0|1,0,1]=4 1492 B11R1.155 C1=CC(=CC(=C1)S(=O)(=O)N)F PI-23447 [0,2,0,0,0,0|1,0,1]=4 1493 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PI-22517 [0,2,0,0,0,0|1,0,1]=4 1494 B11R1.155 Cc1cccc(c1)S(=O)(=O)Cl PI-24195 [0,2,0,0,0,0|1,0,1]=4 1495 B11R1.155 O=S(C1=CC=CC(Br)=C1)(N)=O PI-35263 [0,2,0,0,0,0|1,0,1]=4 1496 B11R1.53 B(C1=CC=CC=C1C=C)(O)O PI-25181 [0,2,0,0,0,0|1,0,1]=4 1497 B11R1.53 B(C1=CC=CC=C1CBr)(O)O PI-14464 [0,2,0,0,0,0|1,0,1]=4 1498 B11R1.53 B(C1=CC=CC=C1CC)(O)O PI-32999 [0,2,0,0,0,0|1,0,1]=4 1499 B11R1.53 B(C1=CC=CC=C1CO)(O)O PI-25935 [0,2,0,0,0,0|1,0,1]=4 1500 B11R1.53 BrCc1ccccc1[N+](=O)[O-] PI-12707 [0,2,0,0,0,0|1,0,1]=4 1501 B11R1.53 C#CC1=CC=CC=C1C(=O)O PI-46516 [0,2,0,0,0,0|0,0,0]=2 1502 B11R1.53 C#Cc1ccccc1[N+](=O)[O-] PI-38879 [0,2,0,0,0,0|1,0,1]=4 1503 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)N PI-30209 [0,2,0,0,0,0|1,0,0]=3 1504 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O PI-10222 [0,2,0,0,0,0|0,0,0]=2 1505 B11R1.53 C1=CC=C(C(=C1)CCl)C(=O)Cl PI-46932 [0,2,0,0,0,0|1,0,0]=3 1506 B11R1.53 C1=CC=C(C(=C1)CN)[N+](=O)[O-] PI-26345 [0,2,0,0,0,0|1,0,1]=4 1507 B11R1.53 C1=CC=C(C(=C1)NN)[N+](=O)[O-] PI-29797 [0,2,0,0,0,0|1,0,1]=4 1508 B11R1.53 C1=CC=C(C(=C1)NN)[N+](=O)[O-] PI-50514 [0,2,0,0,0,0|1,0,1]=4 1509 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [0,2,0,0,0,0|0,0,0]=2 1510 B11R1.53 CC(=O)C1=CC=CC=C1C#N PI-30977 [0,2,0,0,0,0|1,0,0]=3 1511 B11R1.53 CNC1=CC=CC=C1C(=O)N PI-30904 [0,2,0,0,0,0|1,0,0]=3 1512 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [0,2,0,0,0,0|0,0,0]=2 1513 B11R1.53 COC1=C(C=CN=C1)C(=O)O PI-28728 [0,2,0,0,0,0|1,0,0]=3 1514 B11R1.53 COC1=CC=CC=C1C(=O)N PI-30368 [0,2,0,0,0,0|1,0,0]=3 1515 B11R1.53 COC1=NC=NC=C1C(=O)O PI-45147 [0,2,0,0,0,0|2,0,0]=4 1516 B11R1.53 COc1ccccc1C(=O)C PI-12757 [0,2,0,0,0,0|1,0,0]=3 1517 B11R1.53 COc1ccccc1C(=O)Cl PI-11858 [0,2,0,0,0,0|1,0,0]=3 1518 B11R1.53 COc1ncccc1C(=O)O PI-16704 [0,2,0,0,0,0|1,0,0]=3 1519 B11R1.53 CSC1=C(C=CC=N1)C(=O)Cl PI-30995 [0,2,0,0,0,0|2,0,0]=4 1520 B11R1.53 CSC1=CC=CC=C1[N+](=O)[O-] PI-11877 [0,2,0,0,0,0|1,0,1]=4 1521 B11R1.53 CSc1ccccc1B(O)O PI-11570 [0,2,0,0,0,0|1,0,1]=4 1522 B11R1.53 N#Cc1ccccc1B(O)O PI-25137 [0,2,0,0,0,0|1,0,1]=4 1523 B11R1.53 N#Cc1ccccc1[N+](=O)[O-] PI-11875 [0,2,0,0,0,0|1,0,1]=4 1524 B11R1.53 NNc1ccccc1C(=O)O PI-18621 [0,2,0,0,0,0|0,0,0]=2 1525 B11R1.53 NNc1ccccc1[N+](=O)[O-] PI-25422 [0,2,0,0,0,0|1,0,1]=4 1526 B11R1.53 O=Cc1ccccc1B(O)O PI-16628 [0,2,0,0,0,0|1,0,1]=4 1527 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [0,2,0,0,0,0|0,0,0]=2 1528 B11R1.53 O=Cc1ccccc1[N+](=O)[O-] PI-28637 [0,2,0,0,0,0|1,0,1]=4 1529 B11R1.53 OCc1ccccc1[N+](=O)[O-] PI-11876 [0,2,0,0,0,0|1,0,1]=4 1530 B11R1.156 B(C1=C(C=CC=C1Br)F)(O)O PI-49956 [0,2,0,0,0,0|1,0,1]=4 1531 B11R1.156 C1=C(C(=C(C=N1)Cl)C(=O)O)Cl PI-21048 [0,2,0,0,0,0|1,0,0]=3 1532 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)N PI-36015 [0,2,0,0,0,0|0,0,0]=2 1533 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl PI-11762 [0,2,0,0,0,0|1,0,0]=3 1534 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)F PI-30935 [0,2,0,0,0,0|1,0,0]=3 1535 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)Cl PI-33780 [0,2,0,0,0,0|1,0,0]=3 1536 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)F PI-28735 [0,2,0,0,0,0|1,0,0]=3 1537 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F PI-16105 [0,2,0,0,0,0|0,0,0]=2 1538 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)N PI-10860 [0,2,0,0,0,0|0,0,0]=2 1539 B11R1.156 C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])F PI-10480 [0,2,0,0,0,0|1,0,1]=4 1540 B11R1.156 C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])N PI-29729 [0,2,0,0,0,0|1,0,1]=4 1541 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)Cl)F PI-32221 [0,2,0,0,0,0|1,0,0]=3 1542 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)F PI-16897 [0,2,0,0,0,0|1,0,0]=3 1543 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)N PI-15919 [0,2,0,0,0,0|1,0,0]=3 1544 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)O PI-34340 [0,2,0,0,0,0|0,0,0]=2 1545 B11R1.156 C1=CC(=C(C(=C1)F)[N+](=O)[O-])F PI-10466 [0,2,0,0,0,0|1,0,1]=4 1546 B11R1.156 C1=CC(=C(C(=C1)F)[N+](=O)[O-])O PI-29536 [0,2,0,0,0,0|1,0,1]=4 1547 B11R1.156 C1=CC(=C(C(=C1)I)C(=O)O)F PI-34284 [0,2,0,0,0,0|0,0,0]=2 1548 B11R1.156 C1=CC(=C(C(=C1)O)C(=O)N)O PI-30464 [0,2,0,0,0,0|1,0,0]=3 1549 B11R1.156 C1=CC(=C(C(=C1)O)[N+](=O)[O-])O PI-16193 [0,2,0,0,0,0|1,0,1]=4 1550 B11R1.156 CC(=O)c1c(Cl)cccc1Cl PI-20998 [0,2,0,0,0,0|1,0,0]=3 1551 B11R1.156 CC(=O)c1c(F)cccc1Cl PI-20054 [0,2,0,0,0,0|1,0,0]=3 1552 B11R1.156 CC(=O)c1c(F)cccc1F PI-31057 [0,2,0,0,0,0|1,0,0]=3 1553 B11R1.156 CC(=O)c1c(O)cccc1O PI-11029 [0,2,0,0,0,0|1,0,0]=3 1554 B11R1.156 CC1=C(C(=CC=C1)Br)[N+](=O)[O-] PI-22211 [0,2,0,0,0,0|1,0,1]=4 1555 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)C PI-30312 [0,2,0,0,0,0|1,0,0]=3 1556 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O PI-27811 [0,2,0,0,0,0|0,0,0]=2 1557 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N PI-30032 [0,2,0,0,0,0|1,0,0]=3 1558 B11R1.156 CC1=C(C(=CC=C1)Cl)[N+](=O)[O-] PI-28920 [0,2,0,0,0,0|1,0,1]=4 1559 B11R1.156 CC1=C(C(=CC=C1)N)[N+](=O)[O-] PI-32623 [0,2,0,0,0,0|1,0,1]=4 1560 B11R1.156 CC1=C(C(=NC=N1)C)C(=O)O PI-35013 [0,2,0,0,0,0|2,0,0]=4 1561 B11R1.156 ClC(=O)c1c(Cl)cccc1Br PI-20619 [0,2,0,0,0,0|1,0,0]=3 1562 B11R1.156 O=C(C1=C(F)C=NC=C1F)O PI-39693 [0,2,0,0,0,0|1,0,0]=3 1563 B11R1.156 OB(O)c1c(C)cccc1C PI-25020 [0,2,0,0,0,0|1,0,1]=4 1564 B11R1.156 OB(O)c1c(Cl)cccc1Cl PI-35960 [0,2,0,0,0,0|1,0,1]=4 1565 B11R1.156 OB(c1c(C)cccc1F)O PI-39214 [0,2,0,0,0,0|1,0,1]=4 1566 B11R1.156 OB(c1c(F)cccc1Cl)O PI-39190 [0,2,0,0,0,0|1,0,1]=4 1567 B11R1.156 OB(c1c(F)cccc1F)O PI-28192 [0,2,0,0,0,0|1,0,1]=4 1568 B11R1.156 OC(=O)c1c(C)cccc1Cl PI-11820 [0,2,0,0,0,0|0,0,0]=2 1569 B11R1.156 OC(=O)c1c(C)cccc1F PI-10193 [0,2,0,0,0,0|0,0,0]=2 1570 B11R1.156 OC(=O)c1c(C)cccc1N PI-18553 [0,2,0,0,0,0|0,0,0]=2 1571 B11R1.156 OC(=O)c1c(Cl)cccc1Br PI-20612 [0,2,0,0,0,0|0,0,0]=2 1572 B11R1.156 OC(=O)c1c(Cl)cccc1Cl PI-14298 [0,2,0,0,0,0|0,0,0]=2 1573 B11R1.156 OC(=O)c1c(Cl)ncnc1Cl PI-38834 [0,2,0,0,0,0|2,0,0]=4 1574 B11R1.156 OC(=O)c1c(F)cccc1Br PI-10187 [0,2,0,0,0,0|0,0,0]=2 1575 B11R1.156 OC(=O)c1c(F)cccc1F PI-31178 [0,2,0,0,0,0|0,0,0]=2 1576 B11R1.156 OC(=O)c1c(N)cccc1F PI-16068 [0,2,0,0,0,0|0,0,0]=2 1577 B11R1.156 OC(=O)c1c(N)cccc1I PI-36088 [0,2,0,0,0,0|0,0,0]=2 1578 B11R1.156 OC(=O)c1c(O)cccc1O PI-32768 [0,2,0,0,0,0|0,0,0]=2 1579 B11R1.156 [O-][N+](=O)c1c(C)cccc1F PI-38283 [0,2,0,0,0,0|1,0,1]=4 1580 B11R1.156 [O-][N+](=O)c1c(C)cccc1O PI-28579 [0,2,0,0,0,0|1,0,1]=4 1581 B11R1.156 [O-][N+](=O)c1c(N)cccc1Br PI-29872 [0,2,0,0,0,0|1,0,1]=4 1582 B11R1.159 B(C1=C(C(=CC=C1)Cl)C)(O)O PI-19429 [0,2,0,0,0,0|1,0,1]=4 1583 B11R1.159 B(C1=C(C(=CC=C1)Cl)Cl)(O)O PI-33003 [0,2,0,0,0,0|1,0,1]=4 1584 B11R1.159 B(C1=C(C(=CC=C1)Cl)F)(O)O PI-25475 [0,2,0,0,0,0|1,0,1]=4 1585 B11R1.159 B(C1=C(C(=CC=C1)F)Cl)(O)O PI-48731 [0,2,0,0,0,0|1,0,1]=4 1586 B11R1.159 C1=CC(=C(C(=C1)Br)Cl)[N+](=O)[O-] PI-50751 [0,2,0,0,0,0|1,0,1]=4 1587 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [0,2,0,0,0,0|0,0,0]=2 1588 B11R1.159 C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-] PI-50063 [0,2,0,0,0,0|1,0,1]=4 1589 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl PI-11727 [0,2,0,0,0,0|1,0,0]=3 1590 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=S)N PI-30957 [0,2,0,0,0,0|1,1,0]=4 1591 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)Cl PI-20070 [0,2,0,0,0,0|1,0,0]=3 1592 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O PI-16070 [0,2,0,0,0,0|0,0,0]=2 1593 B11R1.159 C1=CC(=C(C(=C1)Cl)F)[N+](=O)[O-] PI-20103 [0,2,0,0,0,0|1,0,1]=4 1594 B11R1.159 C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-] PI-29914 [0,2,0,0,0,0|1,0,1]=4 1595 B11R1.159 C1=CC(=C(C(=C1)Cl)O)[N+](=O)[O-] PI-28675 [0,2,0,0,0,0|1,0,1]=4 1596 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [0,2,0,0,0,0|0,0,0]=2 1597 B11R1.159 C1=CC(=C(C(=C1)F)Cl)[N+](=O)[O-] PI-28271 [0,2,0,0,0,0|1,0,1]=4 1598 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)Cl PI-21145 [0,2,0,0,0,0|1,0,0]=3 1599 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)N PI-21125 [0,2,0,0,0,0|1,0,0]=3 1600 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [0,2,0,0,0,0|0,0,0]=2 1601 B11R1.159 C1=CC(=C(C(=C1)F)F)[N+](=O)[O-] PI-28760 [0,2,0,0,0,0|1,0,1]=4 1602 B11R1.159 C1=CC(=C(C(=C1)F)I)[N+](=O)[O-] PI-10726 [0,2,0,0,0,0|1,0,1]=4 1603 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [0,2,0,0,0,0|0,0,0]=2 1604 B11R1.159 C1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PI-28174 [0,2,0,0,0,0|1,0,1]=4 1605 B11R1.159 C1=CC(=C(C(=C1)N)F)C(=O)O PI-34457 [0,2,0,0,0,0|0,0,0]=2 1606 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)N PI-48121 [0,2,0,0,0,0|1,0,0]=3 1607 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [0,2,0,0,0,0|0,0,0]=2 1608 B11R1.159 C1=CC(=C(C(=C1)N)O)C(=O)O PI-14096 [0,2,0,0,0,0|0,0,0]=2 1609 B11R1.159 C1=CC(=C(C(=C1)O)Cl)[N+](=O)[O-] PI-34746 [0,2,0,0,0,0|1,0,1]=4 1610 B11R1.159 C1=CC(=C(C(=C1)O)F)[N+](=O)[O-] PI-34808 [0,2,0,0,0,0|1,0,1]=4 1611 B11R1.159 C1=CC(=C(C(=C1)O)N)[N+](=O)[O-] PI-11463 [0,2,0,0,0,0|1,0,1]=4 1612 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O PI-16110 [0,2,0,0,0,0|0,0,0]=2 1613 B11R1.159 CC(=O)C1=C(C(=CC=C1)Cl)Cl PI-20997 [0,2,0,0,0,0|1,0,0]=3 1614 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [0,2,0,0,0,0|1,0,0]=3 1615 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [0,2,0,0,0,0|1,0,0]=3 1616 B11R1.159 CC(=O)c1cccc(Br)c1F PI-34270 [0,2,0,0,0,0|1,0,0]=3 1617 B11R1.159 CC(=O)c1cccc(c1F)F PI-21122 [0,2,0,0,0,0|1,0,0]=3 1618 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [0,2,0,0,0,0|1,0,0]=3 1619 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [0,2,0,0,0,0|1,0,0]=3 1620 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [0,2,0,0,0,0|1,0,0]=3 1621 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [0,2,0,0,0,0|1,0,0]=3 1622 B11R1.159 CC1=C(C(=CC=C1)C(=O)Cl)C PI-21939 [0,2,0,0,0,0|1,0,0]=3 1623 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,2,0,0,0,0|0,0,0]=2 1624 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [0,2,0,0,0,0|0,0,0]=2 1625 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [0,2,0,0,0,0|0,0,0]=2 1626 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [0,2,0,0,0,0|0,0,0]=2 1627 B11R1.159 CC1=C(C(=CC=C1)[N+](=O)[O-])O PI-28104 [0,2,0,0,0,0|1,0,1]=4 1628 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [0,2,0,0,0,0|0,0,0]=2 1629 B11R1.159 CC1=C(C=CC=C1Br)[N+](=O)[O-] PI-26737 [0,2,0,0,0,0|1,0,1]=4 1630 B11R1.159 CC1=C(C=CC=C1Cl)[N+](=O)[O-] PI-34382 [0,2,0,0,0,0|1,0,1]=4 1631 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [0,2,0,0,0,0|0,0,0]=2 1632 B11R1.159 CC1=C(C=CC=C1O)[N+](=O)[O-] PI-31225 [0,2,0,0,0,0|1,0,1]=4 1633 B11R1.159 CC1=C(C=CC=C1[N+](=O)[O-])N PI-31240 [0,2,0,0,0,0|1,0,1]=4 1634 B11R1.159 CC1=C(N=CN=C1Cl)C(=O)O PI-36441 [0,2,0,0,0,0|2,0,0]=4 1635 B11R1.159 ClC(=O)c1cccc(c1C)Br PI-39385 [0,2,0,0,0,0|1,0,0]=3 1636 B11R1.159 ClC1=NC=CC(=C1F)C(=O)O PI-34444 [0,2,0,0,0,0|1,0,0]=3 1637 B11R1.159 Fc1cccc(B(O)O)c1F PI-28087 [0,2,0,0,0,0|1,0,1]=4 1638 B11R1.159 NC(=O)c1cccc(c1F)Cl PI-30045 [0,2,0,0,0,0|1,0,0]=3 1639 B11R1.159 O=C(N)C1=CC=CC(C)=C1C PI-30715 [0,2,0,0,0,0|1,0,0]=3 1640 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [0,2,0,0,0,0|0,0,0]=2 1641 B11R1.159 O=C(O)C1=CC=NC(Br)=C1F PI-39723 [0,2,0,0,0,0|1,0,0]=3 1642 B11R1.159 OB(C1=CC=CC(C)=C1C)O PI-25274 [0,2,0,0,0,0|1,0,1]=4 1643 B11R1.159 OB(c1cccc(c1C)F)O PI-19177 [0,2,0,0,0,0|1,0,1]=4 1644 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [0,2,0,0,0,0|0,0,0]=2 1645 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [0,2,0,0,0,0|0,0,0]=2 1646 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [0,2,0,0,0,0|0,0,0]=2 1647 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [0,2,0,0,0,0|0,0,0]=2 1648 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [0,2,0,0,0,0|0,0,0]=2 1649 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [0,2,0,0,0,0|0,0,0]=2 1650 B11R1.159 OC(=O)c1cccc(c1F)Br PI-10188 [0,2,0,0,0,0|0,0,0]=2 1651 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [0,2,0,0,0,0|0,0,0]=2 1652 B11R1.159 OC(=O)c1ccnc(c1N)Cl PI-38953 [0,2,0,0,0,0|1,0,0]=3 1653 B11R1.159 [O-][N+](=O)c1cccc(C)c1F PI-10679 [0,2,0,0,0,0|1,0,1]=4 1654 B11R1.159 [O-][N+](=O)c1cccc(F)c1C PI-32534 [0,2,0,0,0,0|1,0,1]=4 1655 B11R1.159 [O-][N+](=O)c1cccc(F)c1N PI-29258 [0,2,0,0,0,0|1,0,1]=4 1656 B11R1.159 [O-][N+](=O)c1cccc(O)c1Br PI-33349 [0,2,0,0,0,0|1,0,1]=4 1657 B11R1.159 [O-][N+](=O)c1cccc(c1Br)C PI-26622 [0,2,0,0,0,0|1,0,1]=4 1658 B11R1.159 [O-][N+](=O)c1cccc(c1Br)F PI-10720 [0,2,0,0,0,0|1,0,1]=4 1659 B11R1.159 [O-][N+](=O)c1cccc(c1Cl)C PI-27556 [0,2,0,0,0,0|1,0,1]=4 1660 B11R1.159 [O-][N+](=O)c1cccc(c1F)Br PI-35228 [0,2,0,0,0,0|1,0,1]=4 1661 B11R1.159 [O-][N+](=O)c1cccc(c1N)C PI-27717 [0,2,0,0,0,0|1,0,1]=4 1662 B11R1.159 [O-][N+](=O)c1cccc(c1N)N PI-30539 [0,2,0,0,0,0|1,0,1]=4 1663 B11R1.159 [O-][N+](=O)c1cccc(c1O)Br PI-27135 [0,2,0,0,0,0|1,0,1]=4 1664 B11R1.167 B(C1=C(C=CC(=C1)Cl)C)(O)O PI-19142 [0,2,0,0,0,0|1,0,1]=4 1665 B11R1.167 B(C1=C(C=CC(=C1)F)C)(O)O PI-25223 [0,2,0,0,0,0|1,0,1]=4 1666 B11R1.167 B(C1=C(C=CC(=C1)F)Cl)(O)O PI-40463 [0,2,0,0,0,0|1,0,1]=4 1667 B11R1.167 B(C1=C(C=CC(=C1)F)F)(O)O PI-28247 [0,2,0,0,0,0|1,0,1]=4 1668 B11R1.167 B(C1=C(C=CC(=C1)O)F)(O)O PI-49982 [0,2,0,0,0,0|1,0,1]=4 1669 B11R1.167 Brc1ccc(Cl)c(c1)C(=O)Cl PI-20620 [0,2,0,0,0,0|1,0,0]=3 1670 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [0,2,0,0,0,0|0,0,0]=2 1671 B11R1.167 Brc1ccc(c(c1)C(=O)Cl)C PI-39383 [0,2,0,0,0,0|1,0,0]=3 1672 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [0,2,0,0,0,0|0,0,0]=2 1673 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [0,2,0,0,0,0|0,0,0]=2 1674 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [0,2,0,0,0,0|0,0,0]=2 1675 B11R1.167 Brc1ccc(c(c1)[N+](=O)[O-])Cl PI-38903 [0,2,0,0,0,0|1,0,1]=4 1676 B11R1.167 Brc1ccc(c(c1)[N+](=O)[O-])N PI-11964 [0,2,0,0,0,0|1,0,1]=4 1677 B11R1.167 Brc1cnc(N)c(c1)C(=O)O PI-22190 [0,2,0,0,0,0|1,0,0]=3 1678 B11R1.167 C1=C(C(=NN=C1Cl)Cl)C(=O)O PI-41119 [0,2,0,0,0,0|2,0,0]=4 1679 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O PI-12916 [0,2,0,0,0,0|1,0,0]=3 1680 B11R1.167 C1=C(C(=O)NC=C1Cl)C(=O)O PI-30553 [0,2,0,0,0,0|1,0,0]=3 1681 B11R1.167 C1=C(C=NC(=C1C(=O)O)Cl)Br PI-24300 [0,2,0,0,0,0|1,0,0]=3 1682 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O PI-12030 [0,2,0,0,0,0|1,0,0]=3 1683 B11R1.167 C1=C(N=C(C(=N1)Br)C(=O)O)Br PI-45629 [0,2,0,0,0,0|2,0,0]=4 1684 B11R1.167 C1=C(N=C(C(=N1)N)C(=O)O)Br PI-41222 [0,2,0,0,0,0|2,0,0]=4 1685 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [0,2,0,0,0,0|0,0,0]=2 1686 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [0,2,0,0,0,0|0,0,0]=2 1687 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])Br PI-50761 [0,2,0,0,0,0|1,0,1]=4 1688 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])F PI-16938 [0,2,0,0,0,0|1,0,1]=4 1689 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])O PI-13653 [0,2,0,0,0,0|1,0,1]=4 1690 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)Cl)F PI-28486 [0,2,0,0,0,0|1,0,0]=3 1691 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)Cl PI-30757 [0,2,0,0,0,0|1,0,0]=3 1692 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)N PI-30674 [0,2,0,0,0,0|1,0,0]=3 1693 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [0,2,0,0,0,0|0,0,0]=2 1694 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [0,2,0,0,0,0|0,0,0]=2 1695 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [0,2,0,0,0,0|0,0,0]=2 1696 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,2,0,0,0,0|0,0,0]=2 1697 B11R1.167 C1=CC(=C(C=C1Cl)[N+](=O)[O-])F PI-20104 [0,2,0,0,0,0|1,0,1]=4 1698 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Br PI-28051 [0,2,0,0,0,0|1,0,0]=3 1699 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Cl PI-34138 [0,2,0,0,0,0|1,0,0]=3 1700 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)Cl PI-28878 [0,2,0,0,0,0|1,0,0]=3 1701 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)F PI-21126 [0,2,0,0,0,0|1,0,0]=3 1702 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)N PI-31251 [0,2,0,0,0,0|1,0,0]=3 1703 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [0,2,0,0,0,0|0,0,0]=2 1704 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,2,0,0,0,0|0,0,0]=2 1705 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])Br PI-10721 [0,2,0,0,0,0|1,0,1]=4 1706 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])Cl PI-28414 [0,2,0,0,0,0|1,0,1]=4 1707 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])I PI-10727 [0,2,0,0,0,0|1,0,1]=4 1708 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])N PI-28444 [0,2,0,0,0,0|1,0,1]=4 1709 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])O PI-31180 [0,2,0,0,0,0|1,0,1]=4 1710 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [0,2,0,0,0,0|0,0,0]=2 1711 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [0,2,0,0,0,0|0,0,0]=2 1712 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [0,2,0,0,0,0|0,0,0]=2 1713 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,2,0,0,0,0|0,0,0]=2 1714 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])Br PI-29667 [0,2,0,0,0,0|1,0,1]=4 1715 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])F PI-11983 [0,2,0,0,0,0|1,0,1]=4 1716 B11R1.167 C1=CC(=C(C=C1O)[N+](=O)[O-])Cl PI-29756 [0,2,0,0,0,0|1,0,1]=4 1717 B11R1.167 C1=CC(=C(C=C1O)[N+](=O)[O-])I PI-29638 [0,2,0,0,0,0|1,0,1]=4 1718 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [0,2,0,0,0,0|1,0,0]=3 1719 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [0,2,0,0,0,0|1,0,0]=3 1720 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,2,0,0,0,0|1,0,0]=3 1721 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,2,0,0,0,0|1,0,0]=3 1722 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [0,2,0,0,0,0|1,0,0]=3 1723 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,2,0,0,0,0|1,0,0]=3 1724 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [0,2,0,0,0,0|1,0,0]=3 1725 B11R1.167 CC(=O)C1=C(N=CC(=C1)Br)F PI-48367 [0,2,0,0,0,0|2,0,0]=4 1726 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [0,2,0,0,0,0|1,0,0]=3 1727 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [0,2,0,0,0,0|1,0,0]=3 1728 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,2,0,0,0,0|0,0,0]=2 1729 B11R1.167 CC1=C(C=C(C=C1)Br)[N+](=O)[O-] PI-11598 [0,2,0,0,0,0|1,0,1]=4 1730 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl PI-23751 [0,2,0,0,0,0|1,0,0]=3 1731 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)N PI-23733 [0,2,0,0,0,0|1,0,0]=3 1732 B11R1.167 CC1=C(C=C(C=C1)F)[N+](=O)[O-] PI-16977 [0,2,0,0,0,0|1,0,1]=4 1733 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,2,0,0,0,0|0,0,0]=2 1734 B11R1.167 CC1=C(C=C(C=C1)I)[N+](=O)[O-] PI-26624 [0,2,0,0,0,0|1,0,1]=4 1735 B11R1.167 CC1=C(C=C(C=C1)O)[N+](=O)[O-] PI-10544 [0,2,0,0,0,0|1,0,1]=4 1736 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,2,0,0,0,0|0,0,0]=2 1737 B11R1.167 CC1=CC(=C(C=C1)Br)[N+](=O)[O-] PI-22212 [0,2,0,0,0,0|1,0,1]=4 1738 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,2,0,0,0,0|1,0,0]=3 1739 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,2,0,0,0,0|0,0,0]=2 1740 B11R1.167 CC1=CC(=C(C=C1)C)[N+](=O)[O-] PI-13194 [0,2,0,0,0,0|1,0,1]=4 1741 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,2,0,0,0,0|0,0,0]=2 1742 B11R1.167 CC1=CC(=C(C=C1)Cl)[N+](=O)[O-] PI-34332 [0,2,0,0,0,0|1,0,1]=4 1743 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,2,0,0,0,0|1,0,0]=3 1744 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,2,0,0,0,0|0,0,0]=2 1745 B11R1.167 CC1=CC(=C(C=C1)F)[N+](=O)[O-] PI-10423 [0,2,0,0,0,0|1,0,1]=4 1746 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,2,0,0,0,0|0,0,0]=2 1747 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N PI-11516 [0,2,0,0,0,0|1,0,0]=3 1748 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,2,0,0,0,0|1,0,0]=3 1749 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [0,2,0,0,0,0|1,0,0]=3 1750 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,2,0,0,0,0|0,0,0]=2 1751 B11R1.167 Cc1ccc(C)c(c1)B(O)O PI-33619 [0,2,0,0,0,0|1,0,1]=4 1752 B11R1.167 Cc1ccc(c(c1)B(O)O)Cl PI-19269 [0,2,0,0,0,0|1,0,1]=4 1753 B11R1.167 Cc1ccc(c(c1)B(O)O)F PI-19183 [0,2,0,0,0,0|1,0,1]=4 1754 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,2,0,0,0,0|0,0,0]=2 1755 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,2,0,0,0,0|0,0,0]=2 1756 B11R1.167 Clc1ccc(N)c(c1)[N+](=O)[O-] PI-32440 [0,2,0,0,0,0|1,0,1]=4 1757 B11R1.167 Clc1ccc(c(c1)B(O)O)Cl PI-11580 [0,2,0,0,0,0|1,0,1]=4 1758 B11R1.167 Clc1ccc(c(c1)B(O)O)O PI-39030 [0,2,0,0,0,0|1,0,1]=4 1759 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,2,0,0,0,0|1,0,0]=3 1760 B11R1.167 Clc1ccc(c(c1)C(=O)Cl)Cl PI-12081 [0,2,0,0,0,0|1,0,0]=3 1761 B11R1.167 Clc1ccc(c(c1)[N+](=O)[O-])C PI-31778 [0,2,0,0,0,0|1,0,1]=4 1762 B11R1.167 Clc1ccc(c(n1)C(=O)O)C PI-39087 [0,2,0,0,0,0|1,0,0]=3 1763 B11R1.167 Clc1ccc(c(n1)C(=O)O)Cl PI-16736 [0,2,0,0,0,0|1,0,0]=3 1764 B11R1.167 Clc1ncc(c(c1)C(=O)O)Br PI-36973 [0,2,0,0,0,0|1,0,0]=3 1765 B11R1.167 Clc1ncc(c(c1)C(=O)O)Cl PI-38193 [0,2,0,0,0,0|1,0,0]=3 1766 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [0,2,0,0,0,0|1,0,0]=3 1767 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [0,2,0,0,0,0|0,0,0]=2 1768 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [0,2,0,0,0,0|0,0,0]=2 1769 B11R1.167 Fc1ccc(c(c1)C(=O)Cl)F PI-28434 [0,2,0,0,0,0|1,0,0]=3 1770 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,2,0,0,0,0|0,0,0]=2 1771 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [0,2,0,0,0,0|0,0,0]=2 1772 B11R1.167 Fc1ccc(c(c1)[N+](=O)[O-])F PI-32232 [0,2,0,0,0,0|1,0,1]=4 1773 B11R1.167 Fc1ncc(c(c1)C(=O)O)N PI-32204 [0,2,0,0,0,0|1,0,0]=3 1774 B11R1.167 IC1=CC=C(Br)C([N+]([O-])=O)=C1 PI-46833 [0,2,0,0,0,0|1,0,1]=4 1775 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [0,2,0,0,0,0|0,0,0]=2 1776 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [0,2,0,0,0,0|0,0,0]=2 1777 B11R1.167 Ic1ccc(c(c1)[N+](=O)[O-])N PI-39062 [0,2,0,0,0,0|1,0,1]=4 1778 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [0,2,0,0,0,0|0,0,0]=2 1779 B11R1.167 NC1=CC=C(N)C=C1[N+]([O-])=O PI-37805 [0,2,0,0,0,0|1,0,1]=4 1780 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [0,2,0,0,0,0|0,0,0]=2 1781 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [0,2,0,0,0,0|0,0,0]=2 1782 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [0,2,0,0,0,0|0,0,0]=2 1783 B11R1.167 Nc1ccc(c(c1)[N+](=O)[O-])O PI-28082 [0,2,0,0,0,0|1,0,1]=4 1784 B11R1.167 O=C(N)C1=CC(Br)=CC=C1O PI-30813 [0,2,0,0,0,0|1,0,0]=3 1785 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [0,2,0,0,0,0|0,0,0]=2 1786 B11R1.167 O=C([O-])C1=CC(N)=CC=C1O PI-35671 [0,2,0,0,0,0|0,0,1]=3 1787 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O PI-12846 [0,2,0,0,0,0|0,0,1]=3 1788 B11R1.167 OB(C1=CC(Cl)=CC=C1F)O PI-25476 [0,2,0,0,0,0|1,0,1]=4 1789 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,2,0,0,0,0|1,0,0]=3 1790 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [0,2,0,0,0,0|0,0,0]=2 1791 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,2,0,0,0,0|0,0,0]=2 1792 B11R1.167 Oc1ccc(c(c1)[N+](=O)[O-])F PI-13385 [0,2,0,0,0,0|1,0,1]=4 1793 B11R1.167 Oc1ccc(c(c1)[N+](=O)[O-])N PI-31244 [0,2,0,0,0,0|1,0,1]=4 1794 B11R1.74 B(C1=CC(=CC(=C1)Br)C)(O)O PI-19936 [0,2,0,0,0,0|1,0,1]=4 1795 B11R1.74 B(C1=CC(=CC(=C1)Br)Cl)(O)O PI-49933 [0,2,0,0,0,0|1,0,1]=4 1796 B11R1.74 B(C1=CC(=CC(=C1)Cl)Cl)(O)O PI-30843 [0,2,0,0,0,0|1,0,1]=4 1797 B11R1.74 B(C1=CC(=CC(=C1)F)C)(O)O PI-19946 [0,2,0,0,0,0|1,0,1]=4 1798 B11R1.74 B(C1=CC(=CC(=C1)F)F)(O)O PI-16838 [0,2,0,0,0,0|1,0,1]=4 1799 B11R1.74 B(C1=CC(=CC(=C1)F)O)(O)O PI-49940 [0,2,0,0,0,0|1,0,1]=4 1800 B11R1.74 Brc1cc(Br)cc(c1)B(O)O PI-30086 [0,2,0,0,0,0|1,0,1]=4 1801 B11R1.74 C1=C(C=C(C=C1Br)Br)C(=O)N PI-20958 [0,2,0,0,0,0|1,0,0]=3 1802 B11R1.74 C1=C(C=C(C=C1Br)I)C(=O)O PI-21371 [0,2,0,0,0,0|0,0,0]=2 1803 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=N)N PI-30342 [0,2,0,0,0,0|2,0,0]=4 1804 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)Cl PI-11893 [0,2,0,0,0,0|1,0,0]=3 1805 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)N PI-21002 [0,2,0,0,0,0|1,0,0]=3 1806 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O PI-11891 [0,2,0,0,0,0|0,0,0]=2 1807 B11R1.74 C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-] PI-10896 [0,2,0,0,0,0|1,0,1]=4 1808 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O PI-16064 [0,2,0,0,0,0|0,0,0]=2 1809 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)Cl PI-31045 [0,2,0,0,0,0|1,0,0]=3 1810 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)N PI-21127 [0,2,0,0,0,0|1,0,0]=3 1811 B11R1.74 C1=C(C=C(C=C1N)N)C(=O)O PI-33050 [0,2,0,0,0,0|0,0,0]=2 1812 B11R1.74 C1=C(C=C(C=C1O)Br)C(=O)O PI-47172 [0,2,0,0,0,0|0,0,0]=2 1813 B11R1.74 C1=C(C=C(C=C1O)Cl)C(=O)O PI-47171 [0,2,0,0,0,0|0,0,0]=2 1814 B11R1.74 C1=C(C=C(N=C1C(=O)O)Cl)Cl PI-50621 [0,2,0,0,0,0|1,0,0]=3 1815 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O PI-41126 [0,2,0,0,0,0|1,0,0]=3 1816 B11R1.74 CC(=O)C1=CC(=CC(=C1)Br)Br PI-40368 [0,2,0,0,0,0|1,0,0]=3 1817 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,2,0,0,0,0|1,0,0]=3 1818 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O PI-16883 [0,2,0,0,0,0|1,0,0]=3 1819 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O PI-11032 [0,2,0,0,0,0|1,0,0]=3 1820 B11R1.74 CC1=CC(=CC(=C1)Br)[N+](=O)[O-] PI-19674 [0,2,0,0,0,0|1,0,1]=4 1821 B11R1.74 CC1=CC(=CC(=C1)Cl)[N+](=O)[O-] PI-34391 [0,2,0,0,0,0|1,0,1]=4 1822 B11R1.74 CC1=CC(=CC(=C1)F)[N+](=O)[O-] PI-10680 [0,2,0,0,0,0|1,0,1]=4 1823 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)Cl PI-20177 [0,2,0,0,0,0|2,0,0]=4 1824 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)O PI-49440 [0,2,0,0,0,0|1,0,0]=3 1825 B11R1.74 Cc1cc(C)cc(c1)B(O)O PI-25243 [0,2,0,0,0,0|1,0,1]=4 1826 B11R1.74 Cc1cc(C)cc(c1)C(=O)C PI-30691 [0,2,0,0,0,0|1,0,0]=3 1827 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,2,0,0,0,0|0,0,0]=2 1828 B11R1.74 Cc1cc(C)cc(c1)[N+](=O)[O-] PI-34009 [0,2,0,0,0,0|1,0,1]=4 1829 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,2,0,0,0,0|0,0,0]=2 1830 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,2,0,0,0,0|0,0,0]=2 1831 B11R1.74 Clc1cc(Br)cc(c1)C(=O)O PI-35805 [0,2,0,0,0,0|0,0,0]=2 1832 B11R1.74 Fc1cc(Br)cc(c1)[N+](=O)[O-] PI-39135 [0,2,0,0,0,0|1,0,1]=4 1833 B11R1.74 Fc1cc(F)cc(c1)C(=O)O PI-10428 [0,2,0,0,0,0|0,0,0]=2 1834 B11R1.74 Fc1cc(F)cc(c1)[N+](=O)[O-] PI-31112 [0,2,0,0,0,0|1,0,1]=4 1835 B11R1.74 Ic1cc(I)cc(c1)C(=O)O PI-36327 [0,2,0,0,0,0|0,0,0]=2 1836 B11R1.74 Nc1cc(F)cc(c1)[N+](=O)[O-] PI-28007 [0,2,0,0,0,0|1,0,1]=4 1837 B11R1.74 Nc1cc(cc(c1)N)[N+](=O)[O-] PI-30659 [0,2,0,0,0,0|1,0,1]=4 1838 B11R1.74 OC(=O)c1cc(Br)cc(c1)Br PI-20961 [0,2,0,0,0,0|0,0,0]=2 1839 B11R1.74 OC(=O)c1cc(Cl)nc(c1)Cl PI-16190 [0,2,0,0,0,0|1,0,0]=3 1840 B11R1.74 Oc1cc(O)cc(c1)C(=O)O PI-33401 [0,2,0,0,0,0|0,0,0]=2 1841 B11R1.266 B(C1=CC(=CC=C1)C=C)(O)O PI-25182 [0,2,0,0,0,0|1,0,1]=4 1842 B11R1.266 B(C1=CC(=CC=C1)CBr)(O)O PI-14465 [0,2,0,0,0,0|1,0,1]=4 1843 B11R1.266 B(C1=CC(=CC=C1)CN)(O)O PI-14109 [0,2,0,0,0,0|1,0,1]=4 1844 B11R1.266 B(C1=CC(=CC=C1)CN)(O)O PI-25469 [0,2,0,0,0,0|1,0,1]=4 1845 B11R1.266 B(C1=CC(=CC=C1)OC)(O)O PI-16835 [0,2,0,0,0,0|1,0,1]=4 1846 B11R1.266 B(C1=CC(=CC=C1)SC)(O)O PI-11569 [0,2,0,0,0,0|1,0,1]=4 1847 B11R1.266 C#Cc1cccc(c1)[N+](=O)[O-] PI-39183 [0,2,0,0,0,0|1,0,1]=4 1848 B11R1.266 C1=CC(=CC(=C1)C(=N)N)C=O PI-30727 [0,2,0,0,0,0|2,0,0]=4 1849 B11R1.266 C1=CC(=CC(=C1)C(=O)Cl)CCl PI-35901 [0,2,0,0,0,0|1,0,0]=3 1850 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N PI-16124 [0,2,0,0,0,0|0,0,0]=2 1851 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [0,2,0,0,0,0|0,0,0]=2 1852 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [0,2,0,0,0,0|0,0,0]=2 1853 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [0,2,0,0,0,0|0,0,0]=2 1854 B11R1.266 C1=CC(=CC(=C1)[N+](=O)[O-])CBr PI-10982 [0,2,0,0,0,0|1,0,1]=4 1855 B11R1.266 C1=CC(=CC(=C1)[N+](=O)[O-])CO PI-32226 [0,2,0,0,0,0|1,0,1]=4 1856 B11R1.266 C1=CC(=CC(=C1)[N+](=O)[O-])NN PI-29813 [0,2,0,0,0,0|1,0,1]=4 1857 B11R1.266 C=CC1=CC(=CC=C1)[N+](=O)[O-] PI-46939 [0,2,0,0,0,0|1,0,1]=4 1858 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [0,2,0,0,0,0|1,0,0]=3 1859 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [0,2,0,0,0,0|1,0,0]=3 1860 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [0,2,0,0,0,0|1,0,0]=3 1861 B11R1.266 COC1=CC(=NC=C1)C(=O)N PI-26971 [0,2,0,0,0,0|2,0,0]=4 1862 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [0,2,0,0,0,0|1,0,0]=3 1863 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl PI-50560 [0,2,0,0,0,0|1,0,0]=3 1864 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,2,0,0,0,0|0,0,0]=2 1865 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [0,2,0,0,0,0|1,0,0]=3 1866 B11R1.266 COC1=CN=CC(=C1)C(=O)O PI-39997 [0,2,0,0,0,0|1,0,0]=3 1867 B11R1.266 COC1=NC=CC(=C1)C(=O)O PI-28037 [0,2,0,0,0,0|1,0,0]=3 1868 B11R1.266 COc1cccc(c1)C(=O)N PI-30738 [0,2,0,0,0,0|1,0,0]=3 1869 B11R1.266 COc1cccc(c1)[N+](=O)[O-] PI-29700 [0,2,0,0,0,0|1,0,1]=4 1870 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [0,2,0,0,0,0|1,0,0]=3 1871 B11R1.266 CSc1nccc(n1)C(=O)O PI-36376 [0,2,0,0,0,0|2,0,0]=4 1872 B11R1.266 ClCc1cccc(c1)[N+](=O)[O-] PI-26802 [0,2,0,0,0,0|1,0,1]=4 1873 B11R1.266 N#Cc1cccc(c1)B(O)O PI-16427 [0,2,0,0,0,0|1,0,1]=4 1874 B11R1.266 N#Cc1cccc(c1)C(=O)C PI-29763 [0,2,0,0,0,0|1,0,0]=3 1875 B11R1.266 N#Cc1cccc(c1)[N+](=O)[O-] PI-11941 [0,2,0,0,0,0|1,0,1]=4 1876 B11R1.266 NCC1=CC=CC([N+]([O-])=O)=C1 PI-26356 [0,2,0,0,0,0|1,0,1]=4 1877 B11R1.266 NCc1cccc(c1)C(=O)N PI-38245 [0,2,0,0,0,0|1,0,0]=3 1878 B11R1.266 O=Cc1cccc(c1)B(O)O PI-16428 [0,2,0,0,0,0|1,0,1]=4 1879 B11R1.266 O=Cc1cccc(c1)C(=O)O PI-31248 [0,2,0,0,0,0|0,0,0]=2 1880 B11R1.266 O=Cc1cccc(c1)[N+](=O)[O-] PI-34272 [0,2,0,0,0,0|1,0,1]=4 1881 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [0,2,0,0,0,0|0,0,0]=2 1882 B11R1.266 OCc1cccc(c1)B(O)O PI-10035 [0,2,0,0,0,0|1,0,1]=4 1883 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [0,0,1,1,0,0|1,0,1]=4 1884 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [0,0,1,1,0,0|0,0,2]=4 1885 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [0,0,1,1,0,0|1,0,1]=4 1886 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [0,0,1,1,0,0|1,0,1]=4 1887 B9R1.5 Oc1cccccc1=O PI-12283 [0,0,1,1,0,0|2,0,0]=4 1888 B9R2.50 C1CC2=CC=CC=C21 PI-40928 [1,0,0,1,0,0|1,0,1]=4 1889 B11R2.10 BrB1Oc2c(O1)cccc2 PI-38370 [0,0,0,1,0,1|2,0,0]=4 1890 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [0,0,0,1,0,1|1,0,0]=3 1891 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [0,0,0,1,0,1|1,0,0]=3 1892 B11R2.10 C1=CC=C2C(=C1)C=C(S2)Br PI-40410 [0,0,0,1,0,1|1,1,0]=4 1893 B11R2.10 C1=CC=C2C(=C1)N=C(S2)Cl PI-15671 [0,0,0,1,0,1|1,1,0]=4 1894 B11R2.10 C1=CC=C2C(=C1)N=C(S2)F PI-23463 [0,0,0,1,0,1|1,1,0]=4 1895 B11R2.10 C1=CC=C2C(=C1)N=C(S2)N PI-45314 [0,0,0,1,0,1|1,1,0]=4 1896 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 PI-13021 [0,0,0,1,0,1|1,1,0]=4 1897 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [0,0,0,1,0,1|0,1,0]=3 1898 B11R2.10 C1=CN=CC2=C1NC(=O)N2 PI-47254 [0,0,0,1,0,1|2,0,0]=4 1899 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,1,0,1|1,0,0]=3 1900 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [0,0,0,1,0,1|1,0,1]=4 1901 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,1,0,1|2,0,0]=4 1902 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,1,0,1|2,0,0]=4 1903 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,0,0,1,0,1|2,0,0]=4 1904 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [0,0,0,1,0,1|1,1,0]=4 1905 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [0,0,0,1,0,1|2,0,0]=4 1906 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [0,0,0,1,0,1|1,0,0]=3 1907 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [0,0,0,1,0,1|1,0,1]=4 1908 B11R2.10 ClB1Oc2c(O1)cccc2 PI-38371 [0,0,0,1,0,1|2,0,0]=4 1909 B11R2.10 Clc1nc2c([nH]1)cccc2 PI-31005 [0,0,0,1,0,1|2,0,0]=4 1910 B11R2.10 Clc1nc2ccccc2o1 PI-33937 [0,0,0,1,0,1|1,0,0]=3 1911 B11R2.10 Ic1cc2c(s1)cccc2 PI-38228 [0,0,0,1,0,1|1,1,0]=4 1912 B11R2.10 Nc1nc2c(s1)cccc2 PI-31667 [0,0,0,1,0,1|1,1,0]=4 1913 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [0,0,0,1,0,1|2,0,0]=4 1914 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,0,0,1,0,1|1,0,0]=3 1915 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,1,0,1|1,0,0]=3 1916 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,1,0,1|0,0,0]=2 1917 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,0,0,1,0,1|0,0,0]=2 1918 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [0,0,0,1,0,1|0,1,0]=3 1919 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [0,0,0,1,0,1|1,0,0]=3 1920 B11R2.10 Sc1nc2c(s1)cccc2 PI-33935 [0,0,0,1,0,1|0,2,0]=4 1921 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [0,1,0,1,0,0|1,0,1]=4 1922 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [0,1,0,1,0,0|1,0,1]=4 1923 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [0,1,0,1,0,0|2,0,0]=4 1924 B11R2.1 C1=CC2=NNC(=O)N2C=C1 PI-11229 [0,1,0,1,0,0|2,0,0]=4 1925 B11R2.1 C1=CC2=NO[N+](=C2C=C1)[O-] PI-32324 [0,1,0,1,0,0|1,0,1]=4 1926 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,1,0,1,0,0|2,0,0]=4 1927 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,1,0,1,0,0|1,0,0]=3 1928 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [0,1,0,1,0,0|1,1,0]=4 1929 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,1,0,1,0,0|0,1,0]=3 1930 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,1,0,1,0,0|1,0,0]=3 1931 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [0,1,0,1,0,0|1,1,0]=4 1932 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [0,1,0,1,0,0|0,1,0]=3 1933 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [0,1,0,1,0,0|2,0,0]=4 1934 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,1,0,1,0,0|0,0,0]=2 1935 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,1,0,1,0,0|0,0,0]=2 1936 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [0,1,0,1,0,0|1,0,0]=3 1937 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,1,0,1,0,0|1,0,0]=3 1938 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,1,0,1,0,0|1,1,0]=4 1939 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,1,0,1,0,0|2,0,0]=4 1940 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [0,1,0,1,0,0|1,0,0]=3 1941 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,1,0,1,0,0|0,1,0]=3 1942 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,1,0,1,0,0|0,0,0]=2 1943 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [0,1,0,1,0,0|0,1,0]=3 1944 B11R2.1 On1nnc2ccccc12 PI-15275 [0,1,0,1,0,0|2,0,0]=4 1945 B11R2.1 On1nnc2ccccc12 PI-15359 [0,1,0,1,0,0|2,0,0]=4 1946 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [0,1,0,1,0,0|1,0,1]=4 1947 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [0,1,0,1,0,0|1,0,1]=4 1948 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,1,0,1,0,0|1,0,1]=4 1949 B11R2.35 C1C(O1)C2=CC(=CC=C2)Cl PI-35811 [0,1,0,1,0,0|1,0,1]=4 1950 B11R2.35 Clc1cccc(c1)[C@@H]2CO2 PI-10846 [0,1,0,1,0,0|1,0,1]=4 1951 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [1,0,0,0,1,0|2,0,0]=4 1952 B7R1.1 C1=C(N=CS1)C=O PI-25454 [1,0,0,0,1,0|2,0,0]=4 1953 B7R1.1 C1=C(NC=N1)C=O PI-34783 [1,0,0,0,1,0|2,0,0]=4 1954 B7R1.1 C1=CNC=C1C=O PI-34088 [1,0,0,0,1,0|1,0,0]=3 1955 B7R1.1 C1=CSC(=C1)C=O PI-44709 [1,0,0,0,1,0|1,0,0]=3 1956 B7R1.1 C1=CSC(=C1)CO PI-11151 [1,0,0,0,1,0|1,0,1]=4 1957 B7R1.1 O=CC1=NC=CO1 PI-39572 [1,0,0,0,1,0|2,0,0]=4 1958 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [1,0,0,0,1,0|2,0,0]=4 1959 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [1,0,0,0,1,0|1,0,0]=3 1960 B7R1.1 O=Cc1cnco1 PI-38922 [1,0,0,0,1,0|2,0,0]=4 1961 B7R1.1 O=Cc1cncs1 PI-25019 [1,0,0,0,1,0|2,0,0]=4 1962 B7R1.1 O=Cc1cscc1 PI-10763 [1,0,0,0,1,0|1,0,0]=3 1963 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [1,0,0,0,1,0|2,0,0]=4 1964 B7R1.1 O=Cc1nccs1 PI-11133 [1,0,0,0,1,0|2,0,0]=4 1965 B7R1.1 OCc1cscc1 PI-29874 [1,0,0,0,1,0|1,0,1]=4 1966 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [0,0,0,0,0,2|0,0,1]=3 1967 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,0,0,0,0,2|1,0,0]=3 1968 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,0,0,0,0,2|0,0,0]=2 1969 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,0,0,0,0,2|0,0,0]=2 1970 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,0,0,0,0,2|0,0,1]=3 1971 B11R1.91 C1=CN=C(N=C1)SCC(=O)O PI-21347 [0,0,0,0,0,2|2,0,0]=4 1972 B11R1.91 C1=CN=CC=C1SCC(=O)Cl PI-45977 [0,0,0,0,0,2|2,0,0]=4 1973 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,0,0,0,0,2|2,0,0]=4 1974 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,0,2|1,0,0]=3 1975 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,0,0,0,0,2|1,0,1]=4 1976 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,0,0,0,0,2|1,0,1]=4 1977 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,0,0,0,0,2|1,0,0]=3 1978 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [0,0,0,0,0,2|1,1,0]=4 1979 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,0,0,0,0,2|1,0,1]=4 1980 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [0,0,0,0,0,2|1,0,1]=4 1981 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,0,0,0,0,2|0,0,0]=2 1982 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [0,0,0,0,0,2|1,0,0]=3 1983 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [0,0,0,0,0,2|1,0,0]=3 1984 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [0,0,0,0,0,2|1,0,0]=3 1985 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,0,0,0,0,2|0,0,1]=3 1986 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,0,0,0,0,2|1,0,1]=4 1987 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [0,0,0,0,0,2|1,0,1]=4