0 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 C1=CN=C(C=N1)C(=N)N PI-33861 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 C1=CN=C(N=C1)C(=N)N PI-45842 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [0,0,0,0,0,0|3,1,0]=4 15 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [0,0,0,0,0,0|1,0,3]=4 19 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 CC(C)c1ccncc1 PI-16693 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.6 CC(c1ccccn1)N PI-38576 [0,0,0,0,0,0|1,0,1]=2 28 B9R1.6 CC(c1ccncc1)N PI-38572 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.6 CN(C)c1ccncc1 PI-16263 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [0,0,0,0,0,0|2,0,2]=4 33 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [0,0,0,0,0,0|1,0,1]=2 34 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,0,0,0,0,0|0,0,2]=2 35 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,0,0,0,0,0|2,0,1]=3 36 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [0,0,0,0,0,0|2,0,2]=4 37 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,0,0,0,0,0|0,0,2]=2 38 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,0,0,0,0|1,0,2]=3 40 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,0,0,0,0,0|2,1,0]=3 41 B9R1.6 FC(c1ccccn1)F PI-35198 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,0,0,0,0|2,1,0]=3 49 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.6 OB(C1=NC=NC=C1)O PI-39710 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.6 OB(c1ccccn1)O PI-25302 [0,0,0,0,0,0|2,0,1]=3 53 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,0,0,0,0,0|1,0,0]=1 56 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [1,0,0,0,0,0|1,0,2]=4 58 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [1,0,0,0,0,0|0,0,2]=3 59 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 C1=CN=C(C=N1)NN PI-48275 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 C1=CN=C(N=C1)C#N PI-15315 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [1,0,0,0,0,0|1,0,0]=2 65 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.2 C1=CN=CN=C1C=O PI-34868 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.2 C1=CN=CN=C1CO PI-35498 [1,0,0,0,0,0|1,0,2]=4 68 B8R1.2 CCC1=CC=CC=N1 PI-49466 [1,0,0,0,0,0|0,0,1]=2 69 B8R1.2 CCC1=NC=CN=C1 PI-11040 [1,0,0,0,0,0|1,0,1]=3 70 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 CNC1=CC=CC=N1 PI-11864 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.2 CNC1=CC=NC=C1 PI-23603 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 CNC1=CN=CC=C1 PI-11328 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 COC1=CC=CC=N1 PI-33887 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.2 COC1=CC=NC=C1 PI-10034 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 COC1=CN=CC=C1 PI-33889 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 COC1=NC=CN=C1 PI-11859 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 CSC1=CC=CC=N1 PI-16757 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.2 CSC1=NC=CN=C1 PI-11048 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.2 CSC1=NN=CC=N1 PI-37184 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.2 ClCc1ccccn1 PI-16716 [1,0,0,0,0,0|1,0,1]=3 85 B8R1.2 ClCc1ncccn1 PI-35014 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.2 ClCc1ncccn1 PI-40553 [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|2,0,1]=4 88 B8R1.2 NCc1ccccn1 PI-33905 [1,0,0,0,0,0|1,0,1]=3 89 B8R1.2 NCc1ncccn1 PI-34855 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.2 NCc1ncccn1 PI-34856 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.2 NNC1=CC=CC=C1 PI-41551 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.2 O=Cc1ccccn1 PI-33895 [1,0,0,0,0,0|0,0,0]=1 93 B8R1.2 O=Cc1cccnc1 PI-33908 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.2 O=Cc1ccncc1 PI-13140 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.2 OCC1=NC=CC=C1 PI-16261 [1,0,0,0,0,0|0,0,2]=3 96 B8R1.2 ONc1ccccc1 PI-38448 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [1,0,0,0,0,0|1,0,2]=4 98 B8R1.2 c1nccnc1C#N PI-11837 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.13 B(C1=NC=C(C=C1)C)(O)O PI-25499 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.13 Brc1ccc(nc1)[N+](=O)[O-] PI-16738 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [0,1,0,0,0,0|2,1,0]=4 119 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,1,0,0,0,0|0,0,0]=1 135 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.13 CC(C)C1=NNC(=O)C=C1 PI-48300 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [0,1,0,0,0,0|1,0,2]=4 144 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [0,1,0,0,0,0|1,0,1]=3 146 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [0,1,0,0,0,0|2,1,0]=4 151 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [0,1,0,0,0,0|1,0,2]=4 152 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [0,1,0,0,0,0|1,0,2]=4 153 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [0,1,0,0,0,0|1,0,2]=4 154 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.13 CN(C)C1=CN=C(C=N1)Br PI-47342 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.13 CN(C)C1=NC=C(Br)C=C1 PI-46676 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.13 CN(C)C1=NC=C(C=C1)N PI-33882 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [0,1,0,0,0,0|1,0,2]=4 162 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [0,1,0,0,0,0|1,0,2]=4 164 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [0,1,0,0,0,0|1,0,2]=4 166 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [0,1,0,0,0,0|1,0,1]=3 167 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [0,1,0,0,0,0|1,0,2]=4 168 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.13 Clc1ccc(nc1)[N+](=O)[O-] PI-10384 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [0,1,0,0,0,0|1,0,2]=4 179 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [0,1,0,0,0,0|2,1,0]=4 183 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [0,1,0,0,0,0|2,1,0]=4 184 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [0,1,0,0,0,0|1,0,1]=3 190 B10R1.13 Nc1ccc(nc1)N(C)C PI-36330 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,1,0,0,0,0|0,0,0]=1 202 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,1,0,0,0,0|1,0,1]=3 205 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,1,0,0,0,0|1,0,1]=3 206 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,1,0,0,0,0|1,0,2]=4 208 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,1,0,0,0,0|1,0,2]=4 209 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,1,0,0,0,0|1,0,2]=4 210 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,1,0,0,0,0|1,0,2]=4 211 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.15 C1=CN=C(C=N1)C(=O)NN PI-35467 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,1,0,0,0,0|1,0,1]=3 214 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,1,0,0,0,0|1,0,2]=4 219 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,1,0,0,0,0|1,0,2]=4 222 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,1,0,0,0,0|1,0,2]=4 224 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,1,0,0,0,0|0,0,0]=1 231 B10R1.15 COC(=O)c1ccncn1 PI-36498 [0,1,0,0,0,0|1,0,0]=2 232 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,1,0,0,0,0|1,0,0]=2 234 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,1,0,0,0,0|1,0,2]=4 235 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,1,0,0,0,0|1,0,2]=4 236 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,1,0,0,0,0|1,0,2]=4 238 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,1,0,0,0,0|1,0,2]=4 242 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [0,1,0,0,0,0|1,0,2]=4 246 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 PI-35345 [0,1,0,0,0,0|1,1,0]=3 252 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [0,1,0,0,0,0|2,1,0]=4 253 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [0,1,0,0,0,0|2,1,0]=4 254 B10R1.28 ClS(=O)(=O)c1nccnc1 PI-36830 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])O PI-10087 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [0,1,0,0,0,0|2,1,0]=4 267 B10R1.61 C1=CN=C(C(=O)N1)C(=O)[NH-] PI-49791 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,1,0,0,0,0|1,0,0]=2 275 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,1,0,0,0,0|1,0,0]=2 276 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,1,0,0,0,0|1,0,0]=2 277 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,1,0,0,0,0|1,0,0]=2 279 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,1,0,0,0,0|1,0,0]=2 280 B10R1.61 CC(C)c1ccccc1S PI-17353 [0,1,0,0,0,0|2,0,1]=4 281 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [0,1,0,0,0,0|1,0,2]=4 282 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [0,1,0,0,0,0|1,0,2]=4 283 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [0,1,0,0,0,0|1,0,2]=4 284 B10R1.61 CC(c1ccccc1Br)C PI-21543 [0,1,0,0,0,0|2,0,1]=4 285 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,1,0,0,0,0|1,0,0]=2 288 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [0,1,0,0,0,0|1,0,0]=2 290 B10R1.61 CN(C)C1=NC=CN=C1Cl PI-46715 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [0,1,0,0,0,0|1,0,2]=4 292 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [0,1,0,0,0,0|1,0,2]=4 293 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [0,1,0,0,0,0|1,0,2]=4 294 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [0,1,0,0,0,0|1,0,2]=4 295 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.61 NC(=O)c1nccnc1N PI-38832 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.61 NC(=O)c1nccnc1O PI-38271 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [0,1,0,0,0,0|2,1,0]=4 299 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [0,1,0,0,0,0|2,1,0]=4 300 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.61 OC(=O)c1ccncc1I PI-38273 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.61 OC(=O)c1ccncc1N PI-10177 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.61 OC(=O)c1ccncc1O PI-28020 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,1,0,0,0,0|1,0,0]=2 314 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,1,0,0,0,0|1,0,0]=2 315 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.61 OC(=O)c1nccnc1Cl PI-29423 [0,1,0,0,0,0|2,0,0]=3 318 B10R1.61 OC(=O)c1nccnc1O PI-29323 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.61 [O-][N+](=O)c1ncccc1Br PI-35802 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.61 [O-][N+](=O)c1ncccc1N PI-16570 [0,1,0,0,0,0|2,0,0]=3 324 B10R1.113 B(C1=NC(=CC=C1)Br)(O)O PI-33786 [0,1,0,0,0,0|2,0,1]=4 325 B10R1.113 B(C1=NC=CC(=C1)C)(O)O PI-25498 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,1,0,0,0,0|1,0,0]=2 333 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [0,1,0,0,0,0|2,1,0]=4 339 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [0,1,0,0,0,0|2,1,0]=4 343 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,1,0,0,0,0|2,0,0]=3 344 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,1,0,0,0,0|1,0,0]=2 348 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,1,0,0,0,0|1,0,0]=2 349 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [0,1,0,0,0,0|1,0,0]=2 352 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,1,0,0,0,0|1,0,0]=2 353 B10R1.113 C1=CN=C(C=C1F)[N+](=O)[O-] PI-34880 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,1,0,0,0,0|1,0,1]=3 356 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,1,0,0,0,0|1,0,0]=2 358 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [0,1,0,0,0,0|1,0,1]=3 360 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [0,1,0,0,0,0|1,0,2]=4 361 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [0,1,0,0,0,0|1,0,2]=4 362 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [0,1,0,0,0,0|2,0,1]=4 363 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [0,1,0,0,0,0|2,0,1]=4 364 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [0,1,0,0,0,0|1,0,2]=4 365 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,1,0,0,0,0|1,0,0]=2 367 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [0,1,0,0,0,0|1,0,2]=4 369 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,1,0,0,0,0|1,0,0]=2 371 B10R1.113 CC1=NC(=CC=C1)[N+](=O)[O-] PI-28224 [0,1,0,0,0,0|2,0,0]=3 372 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,1,0,0,0,0|2,0,0]=3 373 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [0,1,0,0,0,0|1,0,2]=4 374 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [0,1,0,0,0,0|1,0,2]=4 375 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.113 Cc1cccc(n1)B(O)O PI-25500 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [0,1,0,0,0,0|1,0,0]=2 381 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,1,0,0,0,0|1,0,0]=2 384 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,1,0,0,0,0|1,0,0]=2 386 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,1,0,0,0,0|1,0,0]=2 388 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,1,0,0,0,0|2,0,0]=3 390 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [0,1,0,0,0,0|2,1,0]=4 393 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,1,0,0,0,0|1,0,0]=2 394 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,1,0,0,0,0|2,0,0]=3 395 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [0,1,0,0,0,0|2,0,0]=3 399 B10R1.113 O=[N+](C1=CC=CC(Br)=N1)[O-] PI-37150 [0,1,0,0,0,0|2,0,0]=3 400 B10R1.113 O=[N+](C1=CC=CC(Cl)=N1)[O-] PI-37415 [0,1,0,0,0,0|2,0,0]=3 401 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,1,0,0,0,0|1,0,0]=2 402 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,1,0,0,0,0|1,0,0]=2 403 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [0,1,0,0,0,0|2,1,0]=4 409 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.113 [O-][N+](=O)c1cc(C)ccn1 PI-28226 [0,1,0,0,0,0|2,0,0]=3 411 B10R2.6 C1CC1c2ccccc2 PI-17840 [0,0,0,1,0,0|2,0,1]=4 412 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [0,0,0,1,0,0|1,0,2]=4 413 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [0,0,0,1,0,0|1,0,2]=4 414 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,0,0,1,0,0|1,0,0]=2 415 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [0,0,0,1,0,0|2,0,1]=4 416 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [0,0,0,0,1,0|3,0,0]=4 417 B8R1.7 C1=C(N=NS1)C(=O)O PI-28513 [0,0,0,0,1,0|3,0,0]=4 418 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [0,0,0,0,1,0|2,0,1]=4 419 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [0,0,0,0,1,0|3,0,0]=4 420 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [0,0,0,0,1,0|3,0,0]=4 421 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [0,0,0,0,1,0|2,0,0]=3 422 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,0,0,0,1,0|2,0,0]=3 423 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,0,0,0,1,0|2,0,0]=3 424 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [0,0,0,0,1,0|2,0,0]=3 425 B8R1.7 C1=COC=C1C(=N)N PI-19708 [0,0,0,0,1,0|3,0,0]=4 426 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [0,0,0,0,1,0|2,0,0]=3 427 B8R1.7 C1=COC=C1C(=O)O PI-16502 [0,0,0,0,1,0|2,0,0]=3 428 B8R1.7 C1=COC=C1C(=S)N PI-19750 [0,0,0,0,1,0|2,1,0]=4 429 B8R1.7 C1=CON=C1C(=O)O PI-48871 [0,0,0,0,1,0|2,0,0]=3 430 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [0,0,0,0,1,0|3,0,0]=4 431 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [0,0,0,0,1,0|2,0,0]=3 432 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [0,0,0,0,1,0|2,0,0]=3 433 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] PI-10995 [0,0,0,0,1,0|3,0,0]=4 434 B8R1.7 C1=CSC(=N1)C(=N)N PI-45383 [0,0,0,0,1,0|3,0,0]=4 435 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [0,0,0,0,1,0|1,0,0]=2 436 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,0,0,0,1,0|0,0,1]=2 437 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [0,0,0,0,1,0|1,0,1]=3 438 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [0,0,0,0,1,0|1,0,1]=3 439 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [0,0,0,0,1,0|1,0,1]=3 440 B8R1.7 CC(=O)C1=NCCS1 PI-42267 [0,0,0,0,1,0|1,0,2]=4 441 B8R1.7 CC(=O)c1cscc1 PI-16499 [0,0,0,0,1,0|1,0,0]=2 442 B8R1.7 CC(=O)n1cncc1 PI-31807 [0,0,0,0,1,0|2,0,0]=3 443 B8R1.7 CC(C)C1=NC=CN1 PI-31819 [0,0,0,0,1,0|2,0,1]=4 444 B8R1.7 CC(C1=CC=CS1)O PI-12508 [0,0,0,0,1,0|1,0,2]=4 445 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [0,0,0,0,1,0|0,0,3]=4 446 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [0,0,0,0,1,0|1,0,0]=2 447 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [0,0,0,0,1,0|2,0,1]=4 448 B8R1.7 CC(c1cc[nH]n1)C PI-34763 [0,0,0,0,1,0|2,0,1]=4 449 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [0,0,0,0,1,0|1,0,2]=4 450 B8R1.7 ClC(=O)c1cscc1 PI-10762 [0,0,0,0,1,0|2,0,0]=3 451 B8R1.7 NC(=N)n1cccn1 PI-16548 [0,0,0,0,1,0|3,0,0]=4 452 B8R1.7 NC(=O)c1ncn[nH]1 PI-10146 [0,0,0,0,1,0|3,0,0]=4 453 B8R1.7 NC(=S)c1ccco1 PI-19230 [0,0,0,0,1,0|2,1,0]=4 454 B8R1.7 NC(=S)c1cccs1 PI-39110 [0,0,0,0,1,0|2,1,0]=4 455 B8R1.7 NC(=S)c1cscc1 PI-29381 [0,0,0,0,1,0|2,1,0]=4 456 B8R1.7 OC(=O)C1=CNN=N1 PI-40359 [0,0,0,0,1,0|3,0,0]=4 457 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [0,0,0,0,1,0|3,0,0]=4 458 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [0,0,0,0,1,0|2,0,0]=3 459 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,0,0,0,1,0|1,0,1]=3 460 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,0,0,0,1,0|2,0,0]=3 461 B8R1.7 OC(=O)c1ccno1 PI-29335 [0,0,0,0,1,0|3,0,0]=4 462 B8R1.7 OC(=O)c1cocn1 PI-43182 [0,0,0,0,1,0|2,0,0]=3 463 B8R1.7 OC(=O)c1cscc1 PI-10764 [0,0,0,0,1,0|2,0,0]=3 464 B8R1.7 OC(=O)c1cscn1 PI-28011 [0,0,0,0,1,0|2,0,0]=3 465 B8R1.7 OC(=O)c1n[nH]cn1 PI-10407 [0,0,0,0,1,0|3,0,0]=4 466 B8R1.7 [O-][N+](=O)c1cc[nH]n1 PI-36856 [0,0,0,0,1,0|3,0,0]=4 467 B8R1.7 [O-][N+](=O)c1ncc[nH]1 PI-10202 [0,0,0,0,1,0|3,0,0]=4 468 B8R1.7 [O-][N+](=O)n1cccn1 PI-16557 [0,0,0,0,1,0|3,0,0]=4 469 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,0,0,0,0,1|3,0,0]=4 470 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,0,1|3,0,0]=4 471 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,0,1|3,0,0]=4 472 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,0,0,0,0,1|3,0,0]=4 473 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,0,0,0,1|2,0,0]=3 474 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,0,1|1,0,0]=2 475 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [0,0,0,0,0,1|3,0,0]=4 476 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,0,0,0,1|2,0,0]=3 477 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,0,1|2,0,0]=3 478 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,0,0,0,1|2,0,0]=3 479 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,0,0,0,1|2,0,0]=3 480 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [0,0,0,0,0,1|1,0,0]=2 481 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [0,0,0,0,0,1|2,0,1]=4 482 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,0,1|0,0,0]=1 483 B10R1.18 CC(Cc1ccccn1)C PI-13337 [0,0,0,0,0,1|1,0,1]=3 484 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,0,0,0,0,1|2,1,0]=4 485 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,0,0,0,0,1|3,0,0]=4 486 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,0,1|3,0,0]=4 487 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,0,0,0,0,1|3,0,0]=4 488 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [1,0,1,0,0,0|1,0,1]=4 489 B7R1.3 Brc1cccnn1 PI-37395 [2,0,0,0,0,0|2,0,0]=4 490 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [2,0,0,0,0,0|0,0,1]=3 491 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [2,0,0,0,0,0|0,0,1]=3 492 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [2,0,0,0,0,0|1,0,0]=3 493 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [2,0,0,0,0,0|0,1,1]=4 494 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [2,0,0,0,0,0|1,1,0]=4 495 B7R1.3 C1=CC=NC(=C1)I PI-32173 [2,0,0,0,0,0|1,0,0]=3 496 B7R1.3 C1=CN=C(C=N1)Br PI-47341 [2,0,0,0,0,0|2,0,0]=4 497 B7R1.3 C1=CN=C(C=N1)Cl PI-11831 [2,0,0,0,0,0|2,0,0]=4 498 B7R1.3 C1=CN=C(N=C1)N PI-33106 [2,0,0,0,0,0|2,0,0]=4 499 B7R1.3 C1=CN=CN=C1Cl PI-47317 [2,0,0,0,0,0|2,0,0]=4 500 B7R1.3 C1=CN=CN=C1N PI-34789 [2,0,0,0,0,0|2,0,0]=4 501 B7R1.3 C1=CN=CNC1=O PI-21341 [2,0,0,0,0,0|1,0,1]=4 502 B7R1.3 C1=CN=CNC1=O PI-45002 [2,0,0,0,0,0|1,0,1]=4 503 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [2,0,0,0,0,0|1,0,0]=3 504 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [2,0,0,0,0,0|1,0,0]=3 505 B7R1.3 C1=CNC(=S)N=C1 PI-15316 [2,0,0,0,0,0|1,1,0]=4 506 B7R1.3 C1=COC=CC1=O PI-43972 [2,0,0,0,0,0|2,0,0]=4 507 B7R1.3 CC1=CC=CC=N1 PI-38534 [2,0,0,0,0,0|0,0,0]=2 508 B7R1.3 CC1=NC=CN=C1 PI-48495 [2,0,0,0,0,0|1,0,0]=3 509 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [2,0,0,0,0,0|2,0,0]=4 510 B7R1.3 C[n+]1ccccc1 PI-17168 [2,0,0,0,0,0|2,0,0]=4 511 B7R1.3 Cc1ncccn1 PI-35192 [2,0,0,0,0,0|1,0,0]=3 512 B7R1.3 ClC1=NN=CC=C1 PI-37010 [2,0,0,0,0,0|2,0,0]=4 513 B7R1.3 Clc1ccncn1 PI-38789 [2,0,0,0,0,0|2,0,0]=4 514 B7R1.3 Clc1ncccn1 PI-16275 [2,0,0,0,0,0|2,0,0]=4 515 B7R1.3 Fc1ccccn1 PI-11583 [2,0,0,0,0,0|1,0,0]=3 516 B7R1.3 Ic1ccccc1 PI-37973 [2,0,0,0,0,0|2,0,0]=4 517 B7R1.3 Ic1cnccn1 PI-38885 [2,0,0,0,0,0|2,0,0]=4 518 B7R1.3 Nc1cccnn1 PI-38601 [2,0,0,0,0,0|2,0,0]=4 519 B7R1.3 Nc1cnccn1 PI-29636 [2,0,0,0,0,0|2,0,0]=4 520 B7R1.3 O=C1C=CC=NN1 PI-40006 [2,0,0,0,0,0|1,0,1]=4 521 B7R1.3 O=C1C=CNC=C1 PI-33984 [2,0,0,0,0,0|2,0,0]=4 522 B7R1.3 [S-]c1ccccc1 PI-17985 [2,0,0,0,0,0|1,1,0]=4 523 B9R0.2 CC=CC=CCOC(=O)C PI-40367 [0,1,1,0,0,0|1,0,1]=4 524 B9R1.1 BrC1=NC=C(N=C1)OC PI-35953 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.1 C1=CC(=NC=C1Br)C#N PI-23441 [1,1,0,0,0,0|1,0,1]=4 528 B9R1.1 C1=CC(=NC=C1Br)NN PI-35293 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.1 C1=CC(=NC=C1Cl)C#N PI-10169 [1,1,0,0,0,0|1,0,1]=4 532 B9R1.1 C1=CC(=NC=C1F)C#N PI-40473 [1,1,0,0,0,0|1,0,1]=4 533 B9R1.1 C1=CC(=NC=C1N)C#N PI-13117 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [1,1,0,0,0,0|0,0,0]=2 535 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [1,1,0,0,0,0|1,0,1]=4 536 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [1,1,0,0,0,0|1,0,1]=4 537 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [1,1,0,0,0,0|1,0,1]=4 538 B9R1.1 CC1=CN=C(C=C1)C#N PI-38220 [1,1,0,0,0,0|1,0,1]=4 539 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [1,1,0,0,0,0|1,0,1]=4 541 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [1,1,0,0,0,0|1,0,1]=4 542 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [1,1,0,0,0,0|1,0,1]=4 543 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [1,1,0,0,0,0|1,0,1]=4 544 B9R1.1 CCc1ccc(C)cc1 PI-36542 [1,1,0,0,0,0|1,0,1]=4 545 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.1 CNc1ccc(cc1)Br PI-21585 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [1,1,0,0,0,0|1,0,0]=3 552 B9R1.1 COC1=NC=C(C=N1)Br PI-31943 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.1 COC1=NC=C(C=N1)I PI-45092 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.1 COC1=NN=C(C=C1)Cl PI-30210 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.1 COc1ccc(N)cn1 PI-16695 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.1 COc1ccc(O)cn1 PI-26700 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.1 COc1ccc(cc1)Br PI-34196 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.1 COc1ccc(cc1)I PI-33808 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.1 COc1ccc(cc1)O PI-31355 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.1 COc1ccc(cn1)Br PI-22840 [1,1,0,0,0,0|1,0,0]=3 562 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.1 CSC1=CN=C(C=N1)Br PI-48220 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.1 CSC1=NC=C(C=N1)Br PI-50046 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.1 CSc1ccc(cc1)O PI-18075 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [1,1,0,0,0,0|0,0,0]=2 569 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [1,1,0,0,0,0|1,0,0]=3 570 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [1,1,0,0,0,0|1,0,0]=3 571 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [1,1,0,0,0,0|1,0,0]=3 572 B9R1.1 OCc1ccc(cn1)Br PI-10546 [1,1,0,0,0,0|0,0,2]=4 573 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [1,1,0,0,0,0|0,0,0]=2 574 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,1,0,0,0,0|1,0,0]=3 575 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.2 C1=CC(=NC(=C1)Br)C=O PI-21494 [1,1,0,0,0,0|0,0,0]=2 577 B9R1.2 C1=CC(=NC(=C1)Br)CBr PI-34987 [1,1,0,0,0,0|1,0,1]=4 578 B9R1.2 C1=CC(=NC(=C1)Br)CN PI-34988 [1,1,0,0,0,0|1,0,1]=4 579 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [1,1,0,0,0,0|0,0,2]=4 580 B9R1.2 C1=CC(=NC(=C1)Br)NN PI-34719 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [1,1,0,0,0,0|0,0,2]=4 582 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [1,1,0,0,0,0|0,0,2]=4 583 B9R1.2 C1=CN=C(C=C1Cl)C#N PI-40241 [1,1,0,0,0,0|1,0,1]=4 584 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [1,1,0,0,0,0|0,0,2]=4 585 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.2 C=Cc1cccc(c1)C PI-40767 [1,1,0,0,0,0|1,0,1]=4 587 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.2 CC1=CC(=NC=C1)C#N PI-11834 [1,1,0,0,0,0|1,0,1]=4 590 B9R1.2 CC1=CC=CC(=N1)C#N PI-44998 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [1,1,0,0,0,0|0,0,1]=3 592 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [1,1,0,0,0,0|0,0,0]=2 593 B9R1.2 CC1=NC(=CC=C1)NN PI-36907 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [1,1,0,0,0,0|1,0,0]=3 595 B9R1.2 CC1=NC=CC(=N1)OC PI-44930 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [1,1,0,0,0,0|1,0,1]=4 597 B9R1.2 CCC1=CC(=NC=N1)Cl PI-47323 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.2 CCc1cccc(N)n1 PI-30318 [1,1,0,0,0,0|0,0,1]=3 599 B9R1.2 CNC1=CC(=NC=N1)Cl PI-34619 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.2 CNc1cccc(c1)F PI-29299 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.2 COC1=CC(=NC=N1)Cl PI-16342 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.2 COC1=NC(=NC=C1)Br PI-45082 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.2 COC1=NC(=NC=C1)Cl PI-45081 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.2 COC1=NC=CC(Br)=N1 PI-46750 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.2 COC1=NC=NC(=C1)N PI-11959 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.2 COc1cc(N)ccn1 PI-26277 [1,1,0,0,0,0|1,0,0]=3 614 B9R1.2 COc1cccc(c1)O PI-34658 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.2 COc1ccnc(I)n1 PI-36437 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.2 CSC1=CC(Cl)=NC=N1 PI-46773 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.2 CSC1=NC=CC(Br)=N1 PI-46740 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.2 CSc1cccc(c1)N PI-11908 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.2 CSc1ccnc(Cl)n1 PI-33601 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.2 CSc1nc(Cl)ccn1 PI-34777 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [1,1,0,0,0,0|0,0,0]=2 624 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [1,1,0,0,0,0|0,0,0]=2 625 B9R1.2 N#Cc1cccc(n1)Br PI-44992 [1,1,0,0,0,0|1,0,1]=4 626 B9R1.2 NCc1cc(Br)ccn1 PI-39476 [1,1,0,0,0,0|1,0,1]=4 627 B9R1.2 NNc1cccc(Cl)n1 PI-34718 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.2 O=C1NC(SC)=NC=C1 PI-12294 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,1,0,0,0,0|1,0,0]=3 630 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,1,0,0,0,0|1,0,0]=3 631 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,1,0,0,0,0|1,0,0]=3 632 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,1,0,0,0,0|1,0,0]=3 633 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,1,0,0,0,0|1,0,0]=3 634 B9R1.2 O=Cc1ccnc(C)n1 PI-33598 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.2 O=Cc1ccnc(c1)Br PI-27099 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.2 O=Cc1ccnc(c1)Cl PI-31791 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,1,0,0,0,0|1,0,1]=4 638 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,1,0,0,0,0|1,0,1]=4 639 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,1,0,0,0,0|0,0,1]=3 640 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [1,1,0,0,0,0|1,0,1]=4 641 B9R1.8 C1=CN=C(N=C1)C=NO PI-32947 [1,1,0,0,0,0|1,0,1]=4 642 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,1,0,0,0,0|1,0,1]=4 643 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,1,0,0,0,0|1,0,1]=4 644 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,1,0,0,0,0|0,0,1]=3 645 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,1,0,0,0,0|0,0,1]=3 646 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [1,1,0,0,0,0|1,0,1]=4 647 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,1,0,0,0,0|1,0,1]=4 648 B9R1.8 COCc1ccccn1 PI-38670 [1,1,0,0,0,0|0,0,1]=3 649 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.8 N#CCc1ccccn1 PI-16690 [1,1,0,0,0,0|0,0,2]=4 652 B9R1.8 O\N=C\c1ccccn1 PI-38007 [1,1,0,0,0,0|0,0,1]=3 653 B9R1.15 BrC1=NC=CC=C1C=O PI-39999 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.15 C1=CC(=C(N=C1)C#N)I PI-35289 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.15 C1=CC(=C(N=C1)C#N)O PI-31932 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [1,1,0,0,0,0|0,0,0]=2 657 B9R1.15 C1=CC(=C(N=C1)CBr)Br PI-47183 [1,1,0,0,0,0|1,0,1]=4 658 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [1,1,0,0,0,0|1,0,1]=4 659 B9R1.15 C1=CC(=C(N=C1)CO)Br PI-44198 [1,1,0,0,0,0|0,0,2]=4 660 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,1,0,0,0,0|0,0,2]=4 661 B9R1.15 C1=CC(=C(N=C1)Cl)C=O PI-34991 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.15 C1=CC(=C(N=C1)F)C=O PI-39564 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.15 C1=CC(=C(N=C1)NN)Cl PI-45938 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.15 C=Cc1ccccc1F PI-33746 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.15 CC1=C(N=CC=C1)C#N PI-16162 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,1,0,0,0,0|1,0,0]=3 671 B9R1.15 CC1=NC=CN=C1SC PI-11047 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,1,0,0,0,0|1,0,1]=4 674 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.15 CCC1=NC=CN=C1C PI-11842 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.15 CCc1ccccc1C PI-36541 [1,1,0,0,0,0|1,0,1]=4 677 B9R1.15 CCc1nccnc1C PI-11841 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.15 CCc1ncncc1F PI-15252 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [1,1,0,0,0,0|1,0,0]=3 683 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [1,1,0,0,0,0|1,0,0]=3 684 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.15 COC1=NC=NC=C1Br PI-45125 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.15 COC1=NC=NC=C1Cl PI-45151 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.15 COc1ccccc1S PI-21364 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.15 COc1nccnc1C PI-11042 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.15 CSc1ccccc1I PI-13705 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.15 N#Cc1ncccc1Br PI-32202 [1,1,0,0,0,0|1,0,1]=4 698 B9R1.15 N#Cc1ncccc1Cl PI-32518 [1,1,0,0,0,0|1,0,1]=4 699 B9R1.15 N#Cc1ncccc1F PI-32519 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.15 NCc1ncccc1C PI-36263 [1,1,0,0,0,0|1,0,1]=4 701 B9R1.15 O=CC1=C(Cl)C=CN=C1 PI-37019 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,1,0,0,0,0|1,0,0]=3 703 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,1,0,0,0,0|1,0,0]=3 704 B9R1.15 O=Cc1ccccc1F PI-27600 [1,1,0,0,0,0|1,0,0]=3 705 B9R1.15 O=Cc1cccnc1N PI-15940 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.15 O=Cc1cnccc1Br PI-36813 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [0,1,0,0,1,0|1,0,0]=3 708 B9R1.11 C1=CSC(=N1)C(=O)CBr PI-45387 [0,1,0,0,1,0|1,0,0]=3 709 B9R1.11 C1=CSC=C1C(=O)CBr PI-29147 [0,1,0,0,1,0|1,0,0]=3 710 B9R1.11 C1=CSC=C1C(=O)NN PI-29542 [0,1,0,0,1,0|2,0,0]=4 711 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [0,1,0,0,1,0|1,0,0]=3 712 B9R1.11 CCC(=O)C1=NC=CS1 PI-48498 [0,1,0,0,1,0|1,0,0]=3 713 B9R1.11 CCC(=O)c1ccco1 PI-17052 [0,1,0,0,1,0|1,0,0]=3 714 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [0,1,0,0,1,0|1,0,0]=3 715 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [0,1,0,0,1,0|1,0,1]=4 716 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [0,1,0,0,1,0|1,0,1]=4 717 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [0,1,0,0,1,0|2,0,0]=4 718 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [0,1,0,0,1,0|1,0,0]=3 719 B9R1.11 COC(=O)C1=NC=NN1 PI-16818 [0,1,0,0,1,0|2,0,0]=4 720 B9R1.11 COC(=O)C1=NNN=C1 PI-44893 [0,1,0,0,1,0|2,0,0]=4 721 B9R1.11 COC(=O)C1=NNN=C1 PI-44918 [0,1,0,0,1,0|2,0,0]=4 722 B9R1.11 COC(=O)c1cccs1 PI-30692 [0,1,0,0,1,0|1,0,0]=3 723 B9R1.11 NNC(=O)c1ccco1 PI-28398 [0,1,0,0,1,0|2,0,0]=4 724 B9R1.11 NNC(=O)c1cccs1 PI-18375 [0,1,0,0,1,0|2,0,0]=4 725 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [0,1,0,0,1,0|0,0,1]=3 726 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [0,1,0,0,1,0|1,0,0]=3 727 B9R1.19 CS(=O)(=O)C1=CC=CS1 PI-29538 [0,1,0,0,1,0|2,0,0]=4 728 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [0,1,0,0,1,0|2,0,0]=4 729 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [0,1,0,0,1,0|2,0,0]=4 730 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [0,1,0,0,1,0|2,0,0]=4 731 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [0,1,0,0,1,0|2,0,0]=4 732 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,1,0,0,1,0|2,0,0]=4 733 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,1,0,0,1,0|2,0,0]=4 734 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,1,0,0,1,0|2,0,0]=4 735 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [0,1,0,0,1,0|2,0,0]=4 736 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [0,1,0,0,1,0|2,0,0]=4 737 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,1,0,0,1,0|2,0,0]=4 738 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,1,0,0,1,0|2,0,0]=4 739 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [0,1,0,0,1,0|2,0,0]=4 740 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,1,0,0,1,0|1,0,0]=3 741 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [0,1,0,0,1,0|1,0,0]=3 742 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [0,1,0,0,1,0|1,0,0]=3 743 B9R1.35 CC(=O)C1=NC=C(S1)Br PI-43922 [0,1,0,0,1,0|1,0,0]=3 744 B9R1.35 CC(=O)N1C=C(C=N1)I PI-31343 [0,1,0,0,1,0|1,0,0]=3 745 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [0,1,0,0,1,0|1,0,0]=3 746 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,1,0,0,1,0|1,0,0]=3 747 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [0,1,0,0,1,0|2,0,0]=4 748 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,1,0,0,1,0|2,0,0]=4 749 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,1,0,0,1,0|2,0,0]=4 750 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,1,0,0,1,0|1,0,0]=3 751 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,1,0,0,1,0|2,0,0]=4 752 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,1,0,0,1,0|2,0,0]=4 753 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,1,0,0,1,0|2,0,0]=4 754 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,1,0,0,1,0|2,0,0]=4 755 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [0,1,0,0,1,0|2,0,0]=4 756 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,1,0,0,1,0|2,0,0]=4 757 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,1,0,0,1,0|2,0,0]=4 758 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [0,1,0,0,1,0|2,0,0]=4 759 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,1,0,0,1,0|1,0,1]=4 760 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [0,1,0,0,1,0|2,0,0]=4 761 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,1,0,0,1,0|2,0,0]=4 762 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [0,1,0,0,1,0|2,0,0]=4 763 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [0,1,0,0,1,0|2,0,0]=4 764 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [0,1,0,0,1,0|2,0,0]=4 765 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [0,1,0,0,1,0|2,0,0]=4 766 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,1,0,0,1,0|2,0,0]=4 767 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [0,1,0,0,1,0|2,0,0]=4 768 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [0,1,0,0,1,0|2,0,0]=4 769 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,1,0,0,1,0|2,0,0]=4 770 B9R1.41 C1=NC(=C(S1)N)C(=O)N PI-48355 [0,1,0,0,1,0|2,0,0]=4 771 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [0,1,0,0,1,0|1,0,0]=3 772 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [0,1,0,0,1,0|0,0,1]=3 773 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [0,1,0,0,1,0|2,0,0]=4 774 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,1,0,0,1,0|2,0,0]=4 775 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [0,1,0,0,1,0|1,0,0]=3 776 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [0,1,0,0,1,0|2,0,0]=4 777 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [0,1,0,0,1,0|2,0,0]=4 778 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,1,0,0,1,0|2,0,0]=4 779 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [0,1,0,0,1,0|2,0,0]=4 780 B9R1.41 NC(=O)c1nc[nH]c1N PI-36874 [0,1,0,0,1,0|2,0,0]=4 781 B9R1.41 NC(=O)c1sccc1N PI-14136 [0,1,0,0,1,0|2,0,0]=4 782 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [0,1,0,0,1,0|2,0,0]=4 783 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [0,1,0,0,1,0|2,0,0]=4 784 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,1,0,0,1,0|2,0,0]=4 785 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,1,0,0,1,0|2,0,0]=4 786 B11R1.20 C1=C(C=NC(=N1)CC(=O)O)F PI-45132 [0,1,0,0,0,1|2,0,0]=4 787 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,1,0,0,0,1|2,0,0]=4 789 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,1,0,0,0,1|2,0,0]=4 790 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,1,0,0,0,1|2,0,0]=4 792 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,0,1|1,0,0]=3 793 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,0,1|1,0,0]=3 795 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [0,1,0,0,0,1|1,0,0]=3 796 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [0,1,0,0,0,1|1,0,0]=3 797 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,0,1|1,0,0]=3 798 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [0,1,0,0,0,1|1,0,0]=3 799 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [0,1,0,0,0,1|0,0,0]=2 800 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,0,1|1,0,0]=3 801 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,1,0,0,0,1|1,0,0]=3 802 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [0,1,0,0,0,1|1,0,0]=3 803 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [0,1,0,0,0,1|1,0,0]=3 804 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [0,1,0,0,0,1|1,0,0]=3 805 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,1,0,0,0,1|2,0,0]=4 806 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,1,0,0,0,1|2,0,0]=4 807 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,1,0,0,0,1|1,0,0]=3 808 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,1,0,0,0,1|2,0,0]=4 810 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,1,0,0,0,1|2,0,0]=4 812 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,1,0,0,0,1|2,0,0]=4 814 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,0,0,0,1|2,0,0]=4 816 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,0,0,0,1|2,0,0]=4 819 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,0,0,0,1|2,0,0]=4 821 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,0,0,0,1|2,0,0]=4 822 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,1,0,0,0,1|2,0,0]=4 823 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,0,1|1,0,0]=3 824 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,0,0,0,1|2,0,0]=4 826 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,0,0,0,1|2,0,0]=4 827 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,1,0,0,0,1|1,0,1]=4 830 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,0,0,0,1|1,0,0]=3 831 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,1,0,0,0,1|1,1,0]=4 832 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,1,0,0,0,1|1,1,0]=4 833 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,1,0,0,0,1|0,0,0]=2 834 B11R1.40 COC(=O)CC1=NC=CN=C1 PI-29522 [0,1,0,0,0,1|1,0,0]=3 835 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,1,0,0,0,1|1,0,0]=3 836 B11R1.40 O=C(OC)CC1=NC=CC=N1 PI-46781 [0,1,0,0,0,1|1,0,0]=3 837 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,1,0,0,0,1|2,0,0]=4 839 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,0,0,0,1|1,0,0]=3 840 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,1,0,0,0,1|1,0,0]=3 841 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,1,0,0,0,1|1,0,0]=3 842 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,1,0,0,0,1|1,0,0]=3 843 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,1,0,0,0,1|1,0,0]=3 844 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,1,0,0,0,1|1,0,0]=3 845 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,1,0,0,0,1|2,0,0]=4 847 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,1,0,0,0,1|2,0,0]=4 853 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,0,0,0,1|1,0,0]=3 854 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [0,1,0,0,0,1|1,0,0]=3 855 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [0,1,0,0,0,1|1,0,0]=3 856 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [0,1,0,0,0,1|1,0,0]=3 857 B11R1.157 CC(=O)NC1=CC=NC(=O)N1 PI-18201 [0,1,0,0,0,1|1,0,1]=4 858 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [0,1,0,0,0,1|1,0,0]=3 859 B11R1.157 CC1=NC(=CC=C1)NC(=O)C PI-46994 [0,1,0,0,0,1|0,0,0]=2 860 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,1,0,0,0,1|2,0,0]=4 863 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [0,1,0,0,0,1|2,0,0]=4 864 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 PI-13514 [0,1,0,0,0,1|2,0,0]=4 865 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 PI-12785 [0,1,0,0,0,1|2,0,0]=4 866 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.3 C1=CC(=NC=C1C=O)C(=O)O PI-43981 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.3 CC(C)C1=NC=C(C=C1)C=O PI-44044 [0,2,0,0,0,0|1,0,1]=4 875 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,2,0,0,0,0|1,0,0]=3 877 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,2,0,0,0,0|1,0,0]=3 883 B11R1.3 COc1ncc(nc1)C(=O)O PI-38849 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.3 N#Cc1ccc(cc1)C(=O)Cl PI-20292 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.3 NC(=O)C1=CC=C(C=C1)C#N PI-30451 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.3 O=C(N)C1=CC=C(NN)C=C1 PI-41015 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.19 Brc1ccc(cc1)S(=O)(=O)C PI-22518 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C PI-25437 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N PI-12897 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.19 O=S(C1=CC=C(F)C=C1)(C)=O PI-29606 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.19 Oc1ccc(cc1)S(=O)(=O)C PI-27192 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,2,0,0,0,0|2,0,0]=4 899 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Br)F PI-14433 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F PI-34234 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)F)F PI-32220 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.21 C1=CC(=C(C=C1C(=O)N)O)O PI-11250 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [0,2,0,0,0,0|2,0,0]=4 909 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [0,2,0,0,0,0|2,0,0]=4 911 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [0,2,0,0,0,0|2,0,0]=4 914 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [0,2,0,0,0,0|2,0,0]=4 915 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [0,2,0,0,0,0|1,0,0]=3 918 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [0,2,0,0,0,0|1,0,0]=3 919 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [0,2,0,0,0,0|1,0,0]=3 920 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [0,2,0,0,0,0|1,0,0]=3 921 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [0,2,0,0,0,0|1,0,0]=3 922 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [0,2,0,0,0,0|1,0,0]=3 923 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [0,2,0,0,0,0|1,0,0]=3 925 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [0,2,0,0,0,0|1,0,0]=3 927 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [0,2,0,0,0,0|1,0,0]=3 928 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [0,2,0,0,0,0|1,0,0]=3 929 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [0,2,0,0,0,0|1,0,0]=3 930 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [0,2,0,0,0,0|2,0,0]=4 934 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,2,0,0,0,0|2,0,0]=4 936 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [0,2,0,0,0,0|1,0,0]=3 940 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F PI-23750 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)Br PI-30206 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N PI-35808 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,2,0,0,0,0|2,0,0]=4 944 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,2,0,0,0,0|2,0,0]=4 945 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,2,0,0,0,0|1,0,0]=3 948 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O PI-11485 [0,2,0,0,0,0|2,0,0]=4 949 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [0,2,0,0,0,0|2,0,0]=4 950 B11R1.21 O=C(N)C1=CC=C(F)C(C)=C1 PI-23732 [0,2,0,0,0,0|2,0,0]=4 951 B11R1.21 O=C(N)C1=CC=C(F)C(Cl)=C1 PI-20058 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.21 O=C(N)C1=CC=C(F)C(F)=C1 PI-30958 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,2,0,0,0,0|2,0,0]=4 957 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [0,2,0,0,0,0|2,0,0]=4 958 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [0,2,0,0,0,0|2,0,0]=4 959 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,2,0,0,0,0|2,0,0]=4 960 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [0,2,0,0,0,0|2,0,0]=4 961 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [0,2,0,0,0,0|2,0,0]=4 962 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [0,2,0,0,0,0|2,0,0]=4 965 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.22 BrC1=CC=C(C(CBr)=O)C=N1 PI-41793 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,2,0,0,0,0|1,0,0]=3 970 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,2,0,0,0,0|1,0,0]=3 971 B11R1.22 C1=C(N=CC(=N1)Cl)C(=O)NN PI-50494 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [0,2,0,0,0,0|1,0,1]=4 973 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,2,0,0,0,0|1,0,1]=4 974 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,2,0,0,0,0|1,0,1]=4 975 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,2,0,0,0,0|1,0,0]=3 976 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,2,0,0,0,0|1,0,0]=3 977 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,2,0,0,0,0|1,0,0]=3 978 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,2,0,0,0,0|1,0,0]=3 979 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,2,0,0,0,0|1,0,0]=3 980 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,2,0,0,0,0|1,0,0]=3 981 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,2,0,0,0,0|1,0,0]=3 982 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,2,0,0,0,0|1,0,0]=3 983 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,2,0,0,0,0|1,0,0]=3 985 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [0,2,0,0,0,0|2,0,0]=4 989 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [0,2,0,0,0,0|2,0,0]=4 991 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,2,0,0,0,0|1,0,0]=3 992 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,2,0,0,0,0|1,0,0]=3 993 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,2,0,0,0,0|1,0,0]=3 995 B11R1.22 CC1=CN=C(C=N1)C(=O)NN PI-50303 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,2,0,0,0,0|1,0,0]=3 997 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,2,0,0,0,0|1,0,0]=3 998 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [0,2,0,0,0,0|1,0,0]=3 999 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,2,0,0,0,0|1,0,0]=3 1000 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,2,0,0,0,0|1,0,0]=3 1001 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,2,0,0,0,0|1,0,0]=3 1002 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [0,2,0,0,0,0|1,0,0]=3 1004 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,2,0,0,0,0|1,0,0]=3 1006 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,2,0,0,0,0|0,0,0]=2 1007 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [0,2,0,0,0,0|0,0,0]=2 1008 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [0,2,0,0,0,0|2,0,0]=4 1009 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [0,2,0,0,0,0|1,0,0]=3 1010 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [0,2,0,0,0,0|2,0,0]=4 1011 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [0,2,0,0,0,0|1,0,1]=4 1013 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,2,0,0,0,0|1,0,0]=3 1014 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [0,2,0,0,0,0|2,0,0]=4 1015 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,2,0,0,0,0|1,0,0]=3 1016 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,2,0,0,0,0|2,0,0]=4 1019 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,2,0,0,0,0|2,0,0]=4 1020 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N PI-30371 [0,2,0,0,0,0|2,0,0]=4 1021 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)Cl PI-11845 [0,2,0,0,0,0|2,0,0]=4 1022 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N PI-35500 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl PI-20069 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)N PI-20057 [0,2,0,0,0,0|2,0,0]=4 1027 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,2,0,0,0,0|2,0,0]=4 1028 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl PI-14894 [0,2,0,0,0,0|2,0,0]=4 1029 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N PI-31316 [0,2,0,0,0,0|2,0,0]=4 1030 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,2,0,0,0,0|2,0,0]=4 1031 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,2,0,0,0,0|2,0,0]=4 1032 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,2,0,0,0,0|2,0,0]=4 1033 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,2,0,0,0,0|2,0,0]=4 1034 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,2,0,0,0,0|2,0,0]=4 1035 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 PI-11037 [0,2,0,0,0,0|1,0,0]=3 1036 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,2,0,0,0,0|1,0,0]=3 1037 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,2,0,0,0,0|1,0,0]=3 1038 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,2,0,0,0,0|1,0,0]=3 1039 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,2,0,0,0,0|1,0,0]=3 1040 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,2,0,0,0,0|1,0,0]=3 1041 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,2,0,0,0,0|1,0,0]=3 1042 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,2,0,0,0,0|1,0,0]=3 1043 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,2,0,0,0,0|1,0,0]=3 1044 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,2,0,0,0,0|1,0,0]=3 1045 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,2,0,0,0,0|1,0,0]=3 1046 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,2,0,0,0,0|1,0,0]=3 1047 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,2,0,0,0,0|1,0,0]=3 1048 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)Cl PI-39384 [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,2,0,0,0,0|1,0,0]=3 1051 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,2,0,0,0,0|1,0,0]=3 1052 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,2,0,0,0,0|2,0,0]=4 1053 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,2,0,0,0,0|2,0,0]=4 1059 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,2,0,0,0,0|1,0,0]=3 1060 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,2,0,0,0,0|2,0,0]=4 1063 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,2,0,0,0,0|1,0,0]=3 1064 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,2,0,0,0,0|2,0,0]=4 1065 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.166 Fc1cnc(c(c1)F)C(=O)O PI-38255 [0,2,0,0,0,0|1,0,0]=3 1068 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,2,0,0,0,0|1,0,0]=3 1070 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.166 O=C(C1=NC=C(Cl)N=C1Cl)N PI-46710 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,2,0,0,0,0|1,0,0]=3 1074 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [0,2,0,0,0,0|2,0,0]=4 1076 B11R1.7 C1=CC=C(C=C1)S(=O)(=O)CF PI-46454 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.7 C1=CC=NC(=C1)S(=O)(=O)CF PI-46455 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 PI-29736 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 PI-37901 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.12 B(C1=CC=CC=N1)(OC)OC PI-25128 [0,2,0,0,0,0|1,0,1]=4 1081 B11R1.16 C1=CC(=CN=C1)C(=O)NCO PI-10800 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [0,2,0,0,0,0|1,0,1]=4 1083 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [0,2,0,0,0,0|1,0,1]=4 1084 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,2,0,0,0,0|2,0,0]=4 1085 B11R1.16 CCOC(=O)C1=CC=NC=C1 PI-33278 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.16 CCOC(=O)C1=CN=CC=C1 PI-39994 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.16 CCOC(=O)c1ccccn1 PI-33276 [0,2,0,0,0,0|0,0,0]=2 1088 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,2,0,0,0,0|1,0,0]=3 1089 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,2,0,0,0,0|1,0,0]=3 1091 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,2,0,0,0,0|1,0,0]=3 1092 B11R1.16 N#CCC(C1=CC=NC=C1)=O PI-39619 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,2,0,0,0,0|1,0,0]=3 1094 B11R1.16 OCCN(c1ccccn1)C PI-28090 [0,2,0,0,0,0|1,0,1]=4 1095 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [0,2,0,0,0,0|1,0,1]=4 1096 B11R1.16 S=C=NC(=O)c1ccccc1 PI-14851 [0,2,0,0,0,0|1,0,1]=4 1097 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,2,0,0,0,0|1,0,0]=3 1098 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [0,2,0,0,0,0|1,0,0]=3 1099 B11R1.23 C1=CC(=CC(=C1)Br)C(=O)NN PI-20531 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,2,0,0,0,0|1,0,0]=3 1101 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,2,0,0,0,0|1,0,0]=3 1102 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN PI-23137 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,2,0,0,0,0|1,0,0]=3 1104 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN PI-23455 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN PI-50336 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.23 C1=CC(=CC(=C1)N)C(=O)NN PI-30136 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,2,0,0,0,0|1,0,0]=3 1109 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,2,0,0,0,0|1,0,0]=3 1110 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,2,0,0,0,0|1,0,0]=3 1111 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,2,0,0,0,0|1,0,0]=3 1112 B11R1.23 CNC(=O)C1=CC(=CC=C1)N PI-17436 [0,2,0,0,0,0|1,0,0]=3 1113 B11R1.23 CNC(=O)c1cc(Cl)ccn1 PI-35278 [0,2,0,0,0,0|0,0,0]=2 1114 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [0,2,0,0,0,0|1,0,0]=3 1115 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [0,2,0,0,0,0|1,0,0]=3 1116 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,2,0,0,0,0|1,0,0]=3 1117 B11R1.23 COC(=O)C1=CC(=NC=C1)Cl PI-35024 [0,2,0,0,0,0|2,0,0]=4 1118 B11R1.23 COC(=O)C1=CN=CC(=N1)Br PI-50062 [0,2,0,0,0,0|1,0,0]=3 1119 B11R1.23 COC(=O)C1=NC(=CC=C1)Cl PI-35288 [0,2,0,0,0,0|0,0,0]=2 1120 B11R1.23 COC(=O)C1=NC(=NC=C1)Cl PI-42080 [0,2,0,0,0,0|1,0,0]=3 1121 B11R1.23 COC(=O)c1cc(Cl)ccn1 PI-34710 [0,2,0,0,0,0|0,0,0]=2 1122 B11R1.23 COC(=O)c1cc(I)ccn1 PI-38432 [0,2,0,0,0,0|0,0,0]=2 1123 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PI-38426 [0,2,0,0,0,0|2,0,0]=4 1124 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [0,2,0,0,0,0|1,0,0]=3 1125 B11R1.23 COC(=O)c1cccc(n1)Br PI-38915 [0,2,0,0,0,0|0,0,0]=2 1126 B11R1.23 COC(=O)c1ccnc(c1)Br PI-39300 [0,2,0,0,0,0|2,0,0]=4 1127 B11R1.23 COC(=O)c1ccnc(c1)N PI-27027 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.23 COC(=O)c1cncc(Br)c1 PI-22189 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [0,2,0,0,0,0|1,0,0]=3 1130 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,2,0,0,0,0|1,0,0]=3 1131 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,2,0,0,0,0|1,0,0]=3 1132 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,2,0,0,0,0|1,0,0]=3 1133 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,2,0,0,0,0|1,0,0]=3 1134 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [0,2,0,0,0,0|2,0,0]=4 1136 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.222 C1=CN=C(C(=N1)C(=O)NN)N PI-50451 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [0,2,0,0,0,0|1,0,1]=4 1140 B11R1.222 CC1=C(C=CC=N1)C(=O)OC PI-13128 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,2,0,0,0,0|1,0,0]=3 1142 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,2,0,0,0,0|1,0,0]=3 1144 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,2,0,0,0,0|1,0,0]=3 1145 B11R1.222 COC(=O)C1=C(C=CC=N1)Cl PI-34713 [0,2,0,0,0,0|0,0,0]=2 1146 B11R1.222 COC(=O)C1=C(C=CN=C1)N PI-33897 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.222 COC(=O)C1=C(C=NC=C1)O PI-34886 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl PI-24397 [0,2,0,0,0,0|2,0,0]=4 1149 B11R1.222 COC(=O)C1=C(N=CC=C1)N PI-35287 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [0,2,0,0,0,0|1,0,0]=3 1151 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [0,2,0,0,0,0|1,0,0]=3 1152 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [0,2,0,0,0,0|1,0,0]=3 1153 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [0,2,0,0,0,0|1,0,0]=3 1154 B11R1.222 COC(=O)C1=NC=CN=C1N PI-10107 [0,2,0,0,0,0|1,0,0]=3 1155 B11R1.222 COC(=O)c1ccccc1I PI-10942 [0,2,0,0,0,0|1,0,0]=3 1156 B11R1.222 COC(=O)c1ccncc1Br PI-38429 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.222 COC(=O)c1ccncc1Cl PI-36383 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.222 COC(=O)c1ccncc1N PI-35280 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.222 COC(=O)c1ncccc1N PI-39311 [0,2,0,0,0,0|0,0,0]=2 1160 B11R1.222 COC(=O)c1ncccc1O PI-31931 [0,2,0,0,0,0|0,0,0]=2 1161 B11R1.222 COC(=O)c1nccnc1Cl PI-38428 [0,2,0,0,0,0|1,0,0]=3 1162 B11R1.222 O=C(C1=CC=CNC1=O)OC PI-40201 [0,2,0,0,0,0|2,0,0]=4 1163 B11R1.222 O=C(C1=NC=CC=C1Br)OC PI-39663 [0,2,0,0,0,0|0,0,0]=2 1164 B11R1.222 OC1=NC=CN=C1C(=O)OC PI-40997 [0,2,0,0,0,0|1,0,0]=3 1165 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [0,2,0,0,0,0|2,0,0]=4 1166 B11R1.87 C1=CC(=C(N=C1)S(=O)(=O)O)N PI-13182 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 PI-42394 [0,2,0,0,0,0|2,0,0]=4 1168 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PI-22517 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.155 O=S(C1=NC(Br)=CC=C1)(N)=O PI-40881 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.53 C#CC1=CC=CC=C1C(=O)O PI-46516 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)N PI-30209 [0,2,0,0,0,0|2,0,0]=4 1172 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O PI-10222 [0,2,0,0,0,0|2,0,0]=4 1173 B11R1.53 C1=CC=C(C(=C1)CCl)C(=O)Cl PI-46932 [0,2,0,0,0,0|2,0,0]=4 1174 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [0,2,0,0,0,0|2,0,0]=4 1175 B11R1.53 CC(=O)C1=CC=CC=C1C#N PI-30977 [0,2,0,0,0,0|1,0,0]=3 1176 B11R1.53 CCC1=NC=CN=C1C(=O)C PI-11774 [0,2,0,0,0,0|1,0,0]=3 1177 B11R1.53 CNC1=CC=CC=C1C(=O)N PI-30904 [0,2,0,0,0,0|2,0,0]=4 1178 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [0,2,0,0,0,0|2,0,0]=4 1179 B11R1.53 COC1=C(N=CC=C1)[N+](=O)[O-] PI-16711 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.53 COC1=CC=CC=C1C(=O)N PI-30368 [0,2,0,0,0,0|2,0,0]=4 1181 B11R1.53 COc1ccccc1C(=O)C PI-12757 [0,2,0,0,0,0|1,0,0]=3 1182 B11R1.53 COc1ccccc1C(=O)Cl PI-11858 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.53 NNc1ccccc1C(=O)O PI-18621 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)N PI-36015 [0,2,0,0,0,0|2,0,0]=4 1186 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl PI-11762 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)F PI-30935 [0,2,0,0,0,0|2,0,0]=4 1188 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)Cl PI-33780 [0,2,0,0,0,0|2,0,0]=4 1189 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)F PI-28735 [0,2,0,0,0,0|2,0,0]=4 1190 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F PI-16105 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)N PI-10860 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)Cl)F PI-32221 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)F PI-16897 [0,2,0,0,0,0|2,0,0]=4 1194 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)N PI-15919 [0,2,0,0,0,0|2,0,0]=4 1195 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)O PI-34340 [0,2,0,0,0,0|2,0,0]=4 1196 B11R1.156 C1=CC(=C(C(=C1)I)C(=O)O)F PI-34284 [0,2,0,0,0,0|2,0,0]=4 1197 B11R1.156 C1=CC(=C(C(=C1)O)C(=O)N)O PI-30464 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.156 CC(=O)c1c(Cl)cccc1Cl PI-20998 [0,2,0,0,0,0|1,0,0]=3 1199 B11R1.156 CC(=O)c1c(F)cccc1Cl PI-20054 [0,2,0,0,0,0|1,0,0]=3 1200 B11R1.156 CC(=O)c1c(F)cccc1F PI-31057 [0,2,0,0,0,0|1,0,0]=3 1201 B11R1.156 CC(=O)c1c(O)cccc1O PI-11029 [0,2,0,0,0,0|1,0,0]=3 1202 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)C PI-30312 [0,2,0,0,0,0|1,0,0]=3 1203 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O PI-27811 [0,2,0,0,0,0|2,0,0]=4 1204 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N PI-30032 [0,2,0,0,0,0|2,0,0]=4 1205 B11R1.156 ClC(=O)c1c(Cl)cccc1Br PI-20619 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.156 OC(=O)c1c(C)cccc1Cl PI-11820 [0,2,0,0,0,0|2,0,0]=4 1207 B11R1.156 OC(=O)c1c(C)cccc1F PI-10193 [0,2,0,0,0,0|2,0,0]=4 1208 B11R1.156 OC(=O)c1c(C)cccc1N PI-18553 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.156 OC(=O)c1c(Cl)cccc1Br PI-20612 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.156 OC(=O)c1c(Cl)cccc1Cl PI-14298 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.156 OC(=O)c1c(F)cccc1Br PI-10187 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.156 OC(=O)c1c(F)cccc1F PI-31178 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.156 OC(=O)c1c(N)cccc1F PI-16068 [0,2,0,0,0,0|2,0,0]=4 1214 B11R1.156 OC(=O)c1c(N)cccc1I PI-36088 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.156 OC(=O)c1c(O)cccc1O PI-32768 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl PI-11727 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)Cl PI-20070 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O PI-16070 [0,2,0,0,0,0|2,0,0]=4 1220 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [0,2,0,0,0,0|2,0,0]=4 1221 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)Cl PI-21145 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)N PI-21125 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.159 C1=CC(=C(C(=C1)N)F)C(=O)O PI-34457 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)N PI-48121 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.159 C1=CC(=C(C(=C1)N)O)C(=O)O PI-14096 [0,2,0,0,0,0|2,0,0]=4 1229 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O PI-16110 [0,2,0,0,0,0|2,0,0]=4 1230 B11R1.159 CC(=O)C1=C(C(=CC=C1)Cl)Cl PI-20997 [0,2,0,0,0,0|1,0,0]=3 1231 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [0,2,0,0,0,0|1,0,0]=3 1232 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [0,2,0,0,0,0|1,0,0]=3 1233 B11R1.159 CC(=O)c1cccc(Br)c1F PI-34270 [0,2,0,0,0,0|1,0,0]=3 1234 B11R1.159 CC(=O)c1cccc(c1F)F PI-21122 [0,2,0,0,0,0|1,0,0]=3 1235 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [0,2,0,0,0,0|1,0,0]=3 1236 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [0,2,0,0,0,0|1,0,0]=3 1237 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [0,2,0,0,0,0|1,0,0]=3 1238 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [0,2,0,0,0,0|1,0,0]=3 1239 B11R1.159 CC1=C(C(=CC=C1)C(=O)Cl)C PI-21939 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.159 CC1=C(N=CN=C1Cl)C(=O)O PI-36441 [0,2,0,0,0,0|2,0,0]=4 1247 B11R1.159 ClC(=O)c1cccc(c1C)Br PI-39385 [0,2,0,0,0,0|2,0,0]=4 1248 B11R1.159 NC(=O)c1cccc(c1F)Cl PI-30045 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.159 O=C(N)C1=CC=CC(C)=C1C PI-30715 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [0,2,0,0,0,0|2,0,0]=4 1251 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [0,2,0,0,0,0|2,0,0]=4 1252 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [0,2,0,0,0,0|2,0,0]=4 1253 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.159 OC(=O)c1cccc(c1F)Br PI-10188 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.167 Brc1ccc(Cl)c(c1)C(=O)Cl PI-20620 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.167 Brc1ccc(c(c1)C(=O)Cl)C PI-39383 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [0,2,0,0,0,0|2,0,0]=4 1264 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [0,2,0,0,0,0|2,0,0]=4 1265 B11R1.167 Brc1ccc(c(n1)[N+](=O)[O-])O PI-38967 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.167 Brc1cnc(c(n1)C(=O)N)N PI-38833 [0,2,0,0,0,0|2,0,0]=4 1267 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O PI-12030 [0,2,0,0,0,0|2,0,0]=4 1268 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 1269 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 1270 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [0,2,0,0,0,0|2,0,0]=4 1271 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [0,2,0,0,0,0|2,0,0]=4 1272 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)Cl)F PI-28486 [0,2,0,0,0,0|2,0,0]=4 1273 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)Cl PI-30757 [0,2,0,0,0,0|2,0,0]=4 1274 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)N PI-30674 [0,2,0,0,0,0|2,0,0]=4 1275 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [0,2,0,0,0,0|2,0,0]=4 1276 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [0,2,0,0,0,0|2,0,0]=4 1277 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [0,2,0,0,0,0|2,0,0]=4 1278 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Br PI-28051 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Cl PI-34138 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)Cl PI-28878 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)F PI-21126 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)N PI-31251 [0,2,0,0,0,0|2,0,0]=4 1284 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [0,2,0,0,0,0|2,0,0]=4 1285 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,2,0,0,0,0|2,0,0]=4 1286 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [0,2,0,0,0,0|2,0,0]=4 1287 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.167 C1=CC(=NC(=C1N)[N+](=O)[O-])N PI-33880 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [0,2,0,0,0,0|1,0,0]=3 1292 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [0,2,0,0,0,0|1,0,0]=3 1293 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,2,0,0,0,0|1,0,0]=3 1294 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,2,0,0,0,0|1,0,0]=3 1295 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [0,2,0,0,0,0|1,0,0]=3 1296 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,2,0,0,0,0|1,0,0]=3 1297 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [0,2,0,0,0,0|1,0,0]=3 1298 B11R1.167 CC(=O)C1=C(N=CC(=C1)Br)F PI-48367 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [0,2,0,0,0,0|1,0,0]=3 1300 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [0,2,0,0,0,0|1,0,0]=3 1301 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl PI-23751 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)N PI-23733 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,2,0,0,0,0|1,0,0]=3 1307 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,2,0,0,0,0|1,0,0]=3 1310 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,2,0,0,0,0|2,0,0]=4 1311 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,2,0,0,0,0|2,0,0]=4 1312 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N PI-11516 [0,2,0,0,0,0|2,0,0]=4 1313 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,2,0,0,0,0|1,0,0]=3 1314 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [0,2,0,0,0,0|2,0,0]=4 1315 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,2,0,0,0,0|2,0,0]=4 1316 B11R1.167 CC1=NC(=C(C=C1)O)[N+](=O)[O-] PI-24120 [0,2,0,0,0,0|2,0,0]=4 1317 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,2,0,0,0,0|1,0,0]=3 1320 B11R1.167 Clc1ccc(c(c1)C(=O)Cl)Cl PI-12081 [0,2,0,0,0,0|2,0,0]=4 1321 B11R1.167 Clc1ccc(c(n1)C(=O)O)C PI-39087 [0,2,0,0,0,0|1,0,0]=3 1322 B11R1.167 Clc1ccc(c(n1)C(=O)O)Cl PI-16736 [0,2,0,0,0,0|1,0,0]=3 1323 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [0,2,0,0,0,0|1,0,0]=3 1324 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [0,2,0,0,0,0|2,0,0]=4 1325 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [0,2,0,0,0,0|2,0,0]=4 1326 B11R1.167 Fc1ccc(c(c1)C(=O)Cl)F PI-28434 [0,2,0,0,0,0|2,0,0]=4 1327 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,2,0,0,0,0|2,0,0]=4 1328 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [0,2,0,0,0,0|2,0,0]=4 1330 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [0,2,0,0,0,0|2,0,0]=4 1331 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [0,2,0,0,0,0|2,0,0]=4 1332 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [0,2,0,0,0,0|2,0,0]=4 1333 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [0,2,0,0,0,0|2,0,0]=4 1334 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.167 O=C(N)C1=CC(Br)=CC=C1O PI-30813 [0,2,0,0,0,0|2,0,0]=4 1336 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [0,2,0,0,0,0|2,0,0]=4 1337 B11R1.167 O=C([O-])C1=CC(N)=CC=C1O PI-35671 [0,2,0,0,0,0|2,0,0]=4 1338 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O PI-12846 [0,2,0,0,0,0|2,0,0]=4 1339 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,2,0,0,0,0|1,0,0]=3 1340 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [0,2,0,0,0,0|2,0,0]=4 1341 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,2,0,0,0,0|2,0,0]=4 1342 B11R1.74 C1=C(C=C(C=C1Br)Br)C(=O)N PI-20958 [0,2,0,0,0,0|2,0,0]=4 1343 B11R1.74 C1=C(C=C(C=C1Br)I)C(=O)O PI-21371 [0,2,0,0,0,0|2,0,0]=4 1344 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)Cl PI-11893 [0,2,0,0,0,0|2,0,0]=4 1345 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)N PI-21002 [0,2,0,0,0,0|2,0,0]=4 1346 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O PI-11891 [0,2,0,0,0,0|2,0,0]=4 1347 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O PI-16064 [0,2,0,0,0,0|2,0,0]=4 1348 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)Cl PI-31045 [0,2,0,0,0,0|2,0,0]=4 1349 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)N PI-21127 [0,2,0,0,0,0|2,0,0]=4 1350 B11R1.74 C1=C(C=C(C=C1N)N)C(=O)O PI-33050 [0,2,0,0,0,0|2,0,0]=4 1351 B11R1.74 C1=C(C=C(C=C1O)Br)C(=O)O PI-47172 [0,2,0,0,0,0|2,0,0]=4 1352 B11R1.74 C1=C(C=C(C=C1O)Cl)C(=O)O PI-47171 [0,2,0,0,0,0|2,0,0]=4 1353 B11R1.74 C1=C(C=C(N=C1C(=O)O)Cl)Cl PI-50621 [0,2,0,0,0,0|1,0,0]=3 1354 B11R1.74 CC(=O)C1=CC(=CC(=C1)Br)Br PI-40368 [0,2,0,0,0,0|1,0,0]=3 1355 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,2,0,0,0,0|1,0,0]=3 1356 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O PI-16883 [0,2,0,0,0,0|1,0,0]=3 1357 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O PI-11032 [0,2,0,0,0,0|1,0,0]=3 1358 B11R1.74 Cc1cc(C)cc(c1)C(=O)C PI-30691 [0,2,0,0,0,0|1,0,0]=3 1359 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,2,0,0,0,0|2,0,0]=4 1360 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,2,0,0,0,0|2,0,0]=4 1361 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,2,0,0,0,0|2,0,0]=4 1362 B11R1.74 Clc1cc(Br)cc(c1)C(=O)O PI-35805 [0,2,0,0,0,0|2,0,0]=4 1363 B11R1.74 Fc1cc(F)cc(c1)C(=O)O PI-10428 [0,2,0,0,0,0|2,0,0]=4 1364 B11R1.74 Ic1cc(I)cc(c1)C(=O)O PI-36327 [0,2,0,0,0,0|2,0,0]=4 1365 B11R1.74 OC(=O)c1cc(Br)cc(c1)Br PI-20961 [0,2,0,0,0,0|2,0,0]=4 1366 B11R1.74 Oc1cc(O)cc(c1)C(=O)O PI-33401 [0,2,0,0,0,0|2,0,0]=4 1367 B11R1.266 C1=CC(=CC(=C1)C(=O)Cl)CCl PI-35901 [0,2,0,0,0,0|2,0,0]=4 1368 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N PI-16124 [0,2,0,0,0,0|2,0,0]=4 1369 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [0,2,0,0,0,0|2,0,0]=4 1370 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [0,2,0,0,0,0|2,0,0]=4 1371 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [0,2,0,0,0,0|2,0,0]=4 1372 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [0,2,0,0,0,0|1,0,0]=3 1373 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [0,2,0,0,0,0|1,0,0]=3 1374 B11R1.266 CC(=O)C1=NC(=NC=C1)SC PI-49758 [0,2,0,0,0,0|1,0,0]=3 1375 B11R1.266 CC(C)C1=NC(=CC=C1)OC PI-31677 [0,2,0,0,0,0|1,0,1]=4 1376 B11R1.266 CC(C)C1=NC=CC(=C1)C=O PI-44045 [0,2,0,0,0,0|1,0,1]=4 1377 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [0,2,0,0,0,0|1,0,0]=3 1378 B11R1.266 CCC1=NC(=CC=C1)C(C)C PI-19881 [0,2,0,0,0,0|1,0,1]=4 1379 B11R1.266 COC1=CC(=NC=C1)C(=O)N PI-26971 [0,2,0,0,0,0|1,0,0]=3 1380 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [0,2,0,0,0,0|1,0,0]=3 1381 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl PI-50560 [0,2,0,0,0,0|2,0,0]=4 1382 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,2,0,0,0,0|2,0,0]=4 1383 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [0,2,0,0,0,0|1,0,0]=3 1384 B11R1.266 COc1cccc(c1)C(=O)N PI-30738 [0,2,0,0,0,0|2,0,0]=4 1385 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [0,2,0,0,0,0|1,0,0]=3 1386 B11R1.266 CSc1nccc(n1)C(=O)O PI-36376 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.266 N#Cc1cccc(c1)C(=O)C PI-29763 [0,2,0,0,0,0|1,0,0]=3 1388 B11R1.266 NCc1cccc(c1)C(=O)N PI-38245 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.266 O=Cc1cccc(c1)C(=O)O PI-31248 [0,2,0,0,0,0|2,0,0]=4 1390 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [0,2,0,0,0,0|2,0,0]=4 1391 B9R1.13 CC(=O)NC1=CC=CS1 PI-12512 [0,0,1,1,0,0|2,0,0]=4 1392 B9R1.13 CC(=O)NC1=NC=CS1 PI-26514 [0,0,1,1,0,0|2,0,0]=4 1393 B9R1.5 Oc1cccccc1=O PI-12283 [0,0,1,1,0,0|1,0,1]=4 1394 B9R2.50 C1CC2=CC=CC=C21 PI-40928 [1,0,0,1,0,0|1,0,1]=4 1395 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [0,0,0,1,0,1|1,0,0]=3 1396 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,1,0,1|1,0,0]=3 1397 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,1,0,1|2,0,0]=4 1398 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,1,0,1|2,0,0]=4 1399 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,0,0,1,0,1|2,0,0]=4 1400 B11R2.10 CC1=CC2=CC=CC=C2S1 PI-29081 [0,0,0,1,0,1|1,1,0]=4 1401 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [0,0,0,1,0,1|2,0,0]=4 1402 B11R2.10 CC1=NC2=CC=CC=C2O1 PI-11866 [0,0,0,1,0,1|1,0,1]=4 1403 B11R2.10 Clc1nc2c(s1)cccn2 PI-34998 [0,0,0,1,0,1|1,1,0]=4 1404 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,1,0,1|1,0,0]=3 1405 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,1,0,1|1,0,0]=3 1406 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [0,0,0,1,0,1|2,0,0]=4 1407 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [0,0,0,1,0,1|2,0,0]=4 1408 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [0,1,0,1,0,0|2,0,0]=4 1409 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,1,0,1,0,0|1,0,0]=3 1410 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,1,0,1,0,0|1,0,0]=3 1411 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [0,1,0,1,0,0|0,0,0]=2 1412 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,1,0,1,0,0|1,0,0]=3 1413 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,1,0,1,0,0|1,1,0]=4 1414 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,1,0,1,0,0|2,0,0]=4 1415 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,1,0,1,0,0|1,0,0]=3 1416 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,1,0,1,0,0|1,0,0]=3 1417 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [0,1,0,1,0,0|2,0,0]=4 1418 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [1,0,0,0,1,0|2,0,0]=4 1419 B7R1.1 C1=C(N=CS1)C=O PI-25454 [1,0,0,0,1,0|1,0,0]=3 1420 B7R1.1 C1=C(N=NS1)C=O PI-29425 [1,0,0,0,1,0|2,0,0]=4 1421 B7R1.1 C1=C(NC=N1)C=O PI-34783 [1,0,0,0,1,0|1,0,1]=4 1422 B7R1.1 C1=CNC=C1C=O PI-34088 [1,0,0,0,1,0|1,0,0]=3 1423 B7R1.1 C1=CSC(=C1)C=O PI-44709 [1,0,0,0,1,0|1,0,0]=3 1424 B7R1.1 CCC1=CC=CS1 PI-10993 [1,0,0,0,1,0|1,0,1]=4 1425 B7R1.1 CCC1=CSC=C1 PI-35073 [1,0,0,0,1,0|1,0,1]=4 1426 B7R1.1 CCN1C=CC=C1 PI-12065 [1,0,0,0,1,0|1,0,1]=4 1427 B7R1.1 CCc1ncc[nH]1 PI-31817 [1,0,0,0,1,0|1,0,1]=4 1428 B7R1.1 CCn1cccn1 PI-35920 [1,0,0,0,1,0|1,0,1]=4 1429 B7R1.1 COC1=NC=CS1 PI-11131 [1,0,0,0,1,0|2,0,0]=4 1430 B7R1.1 COc1cccs1 PI-33573 [1,0,0,0,1,0|2,0,0]=4 1431 B7R1.1 COc1cscc1 PI-27269 [1,0,0,0,1,0|2,0,0]=4 1432 B7R1.1 CSC1=CSC=C1 PI-29322 [1,0,0,0,1,0|2,0,0]=4 1433 B7R1.1 O=CC1=NC=CO1 PI-39572 [1,0,0,0,1,0|1,0,0]=3 1434 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [1,0,0,0,1,0|1,0,0]=3 1435 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [1,0,0,0,1,0|0,0,1]=3 1436 B7R1.1 O=Cc1cnco1 PI-38922 [1,0,0,0,1,0|2,0,0]=4 1437 B7R1.1 O=Cc1cncs1 PI-25019 [1,0,0,0,1,0|2,0,0]=4 1438 B7R1.1 O=Cc1cscc1 PI-10763 [1,0,0,0,1,0|1,0,0]=3 1439 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [1,0,0,0,1,0|1,0,0]=3 1440 B7R1.1 O=Cc1nccs1 PI-11133 [1,0,0,0,1,0|1,0,0]=3 1441 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [0,0,0,0,0,2|2,0,0]=4 1442 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,0,0,0,0,2|2,0,0]=4 1443 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,0,0,0,0,2|2,0,0]=4 1444 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,0,0,0,0,2|2,0,0]=4 1445 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,0,0,0,0,2|2,0,0]=4 1446 B11R1.91 C1=CN=C(N=C1)SCC(=O)O PI-21347 [0,0,0,0,0,2|2,0,0]=4 1447 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,0,0,0,0,2|2,0,0]=4 1448 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,0,2|1,0,0]=3 1449 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,0,0,0,0,2|2,0,0]=4 1450 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,0,0,0,0,2|2,0,0]=4 1451 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [0,0,0,0,0,2|1,0,0]=3 1452 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,0,0,0,0,2|2,0,0]=4