0 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.41 CC(=O)C1=CNC=C1C M67633 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.41 CC(=O)C1=NC=CN1C A1591 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.41 CC1=C(C(=O)Cl)C=NO1 M2623 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.41 CC1=C(C(=O)O)C=CN1 M39104 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.41 CC1=C(C(=O)O)C=CO1 M63194 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.41 CC1=C(C(=O)O)C=CS1 M36640 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.41 CC1=C(C(=O)O)C=NO1 M2622 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.41 CC1=C(C(=O)O)N=CO1 M3158 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.41 CC1=C(C(=O)O)N=CS1 M3491 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.41 CC1=C(C(=O)O)ON=C1 M40999 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.41 CC1=C(C(=O)O)SC=N1 M67956 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.41 CC1=CNN=C1C(=O)O M41036 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.41 CC1=CSC=C1C(=O)O M25374 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.41 CC1=NNC=C1C(=O)O M9647 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.41 CC1=NOC=C1C(=O)O M21771 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.41 CN1C=CC=C1C(=O)O M68591 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.41 CN1C=CN=C1C(=N)N M0674 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.41 CN1C=CN=C1C(=O)O M12222 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.41 CN1C=NC=C1C(=O)O M2857 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.41 CN1C=NC=C1[N+](=O)[O-] M40135 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.41 CN1N=CC=C1B(O)O M0161 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.41 CN1N=CC=C1C(=O)O M3734 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.41 CN1N=NC=C1C(=O)O M40142 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.41 NC(=O)C1=C(N)SC=C1 A41049 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.41 NC(=O)C1=CC=CN1N A5122 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.41 NC(=O)C1=CSC=C1Br B40842 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.41 O=C(O)C1=C(Br)C=CO1 B40689 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.41 O=C(O)C1=C(Br)C=CS1 B10327 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.41 O=C(O)C1=C(Br)SC=C1 B37969 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C12482 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.41 O=C(O)C1=C(Cl)SC=C1 C40686 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.41 O=C(O)C1=C(F)C=CS1 F40687 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.41 O=C(O)C1=C(O)C=CS1 H40863 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.41 O=C(O)C1=CSC=C1Br B11526 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.7 CC(=O)C1=CC=CN1 P68619 [1,0,0,0,0,0|0,0,0]=1 42 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,0,0,0,0,0|1,0,0]=2 43 B8R1.7 CC(=O)C1=CC=NN1 P61226 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.7 CC(=O)C1=CC=NO1 K40990 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 CC(=O)C1=CNC=C1 A37548 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 CC(=O)C1=CNC=N1 A41019 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.7 CC(=O)C1=CNN=C1 P22638 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 CC(=O)C1=CSC=C1 A12828 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.7 CC(=O)C1=CSC=N1 T41006 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.7 CC(=O)C1=NC=CN1 K67604 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.7 CC(=O)C1=NC=CS1 A22587 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.7 CC(=O)C1=NOC=C1 K40989 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.7 CC(=O)N1C=CN=C1 I37940 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.7 CC(C)C1=NC=CN1 P67407 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,0,0,0,0,0|1,0,2]=4 58 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.7 C[C@H](N)C1=CN=CN1 K62106 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.7 N=C(N)C1=NC=CN1 I27167 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.7 N=C(N)C1=NC=CN1 I7758 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.7 NC(=O)C1=COC=N1 X40074 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.7 NC(=O)C1=NC=CO1 X26086 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.7 NC(=O)C1=NC=CS1 T61005 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.7 NC(=O)C1=NN=CN1 T69492 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.7 NC(=O)C1=NNC=C1 P67746 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.7 NC(=S)C1=CC=CS1 T41010 [1,0,0,0,0,0|2,1,0]=4 68 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.7 O=C(O)C1=CC=CN1 P24658 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.7 O=C(O)C1=CC=CO1 F38499 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.7 O=C(O)C1=CC=CS1 T69312 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.7 O=C(O)C1=CC=NO1 K40064 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.7 O=C(O)C1=CC=NS1 T40063 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.7 O=C(O)C1=CN=CO1 O9363 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.7 O=C(O)C1=CN=CS1 T2164 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.7 O=C(O)C1=COC=C1 F14351 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.7 O=C(O)C1=COC=N1 X9342 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.7 O=C(O)C1=CSC=C1 T12825 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.7 O=C(O)C1=CSC=N1 T2163 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.7 O=C(O)C1=NC=CN1 I37951 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.7 O=C(O)C1=NC=CS1 T9224 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.7 O=C(O)C1=NNC=C1 P9459 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.7 O=C(O)C1=NOC=C1 I12360 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.7 O=C(O)C1=NSC=C1 I6110 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [1,0,0,0,0,0|1,0,2]=4 86 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [1,0,0,0,0,0|1,0,2]=4 87 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.7 O=[N+]([O-])C1=CN=CN1 N69288 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.11 CC1=C(C=O)N=CN1 M41031 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.11 CC1=C(C=O)N=CS1 M41008 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.11 CC1=C(C=O)NC=C1 M63105 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.11 CC1=C(C=O)SC=C1 M39271 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.11 CC1=C(C=O)SC=N1 M41007 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.11 CC1=CSC=C1C=O M29934 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.11 CC1=NNC=C1C=O M5838 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.11 CCC1=NC=CN1C E46632 [1,0,0,0,0,0|1,0,1]=3 99 B8R1.11 CN1C=CC=C1C#N M61385 [1,0,0,0,0,0|1,0,1]=3 100 B8R1.11 CN1C=CC=C1C=O M17296 [1,0,0,0,0,0|0,0,0]=1 101 B8R1.11 CN1C=CC=C1CN M41429 [1,0,0,0,0,0|1,0,1]=3 102 B8R1.11 CN1C=CN=C1C#N M0676 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.11 CN1C=CN=C1C=O M14037 [1,0,0,0,0,0|1,0,0]=2 104 B8R1.11 CN1C=CN=C1CCl C41129 [1,0,0,0,0,0|2,0,1]=4 105 B8R1.11 CN1C=CN=C1CCl C41132 [1,0,0,0,0,0|2,0,1]=4 106 B8R1.11 CN1C=CN=C1CN A13925 [1,0,0,0,0,0|2,0,1]=4 107 B8R1.11 CN1C=CN=C1CO M41198 [1,0,0,0,0,0|1,0,2]=4 108 B8R1.11 CN1C=NC=C1C#N M11288 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.11 CN1C=NC=C1CN M1713 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.11 CN1C=NC=C1CO H14300 [1,0,0,0,0,0|1,0,2]=4 111 B8R1.11 CN1N=CC=C1C#N M12750 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.11 CN1N=CC=C1C=O M12515 [1,0,0,0,0,0|1,0,0]=2 113 B8R1.11 CN1N=CC=C1CCl C41130 [1,0,0,0,0,0|2,0,1]=4 114 B8R1.11 CN1N=CC=C1CN M9954 [1,0,0,0,0,0|2,0,1]=4 115 B8R1.11 CN1N=NC=C1C=O M40133 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.11 CSC1=C(C)OC=C1 M43319 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.11 N#CC1=CC=CN1N A10503 [1,0,0,0,0,0|2,0,1]=4 118 B8R1.11 O=CC1=C(Br)C=CN1 B14575 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.11 O=CC1=C(Br)SC=C1 B38048 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.11 O=CC1=C(Cl)C=CN1 C14573 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.11 O=CC1=C(Cl)SC=C1 C40693 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.11 O=CC1=C(I)SC=C1 K40695 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.11 O=CC1=CSC=C1Br B40692 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.39 CCN1C=CC=C1C(C)=O E46916 [0,1,0,0,0,0|0,0,0]=1 128 B10R1.39 CCN1C=NC=C1C(=O)O E69191 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.39 CCN1N=CC=C1C(=O)O E43222 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.39 COC1=CSC=C1C(=O)O M42956 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 D46833 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 B62817 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 D46440 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 D46406 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 A43257 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 A13751 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.59 CC(=O)C1=CC(C)=NN1C D1042 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 D62561 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 P64574 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 D3961 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 D43358 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.59 CN1C=C(Br)C=C1C(=O)O B42854 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.59 CN1C=C(Br)N=C1[N+](=O)[O-] B40092 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.59 CN1N=C(Cl)C=C1C(=O)O C10638 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.59 CN1NC(=O)C=C1C(=O)O M63710 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.149 COC(=O)C1=C(Br)C=CN1 B12084 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.149 COC(=O)C1=C(Br)C=CS1 M15715 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.149 COC(=O)C1=C(Br)SC=C1 M42697 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.149 COC(=O)C1=C(C)C=CN1 M11830 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.149 COC(=O)C1=C(C)C=CO1 M46253 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.149 COC(=O)C1=C(C)C=CS1 M46249 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.149 COC(=O)C1=C(C)N=CS1 M67491 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.149 COC(=O)C1=C(C)OC=C1 M63405 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.149 COC(=O)C1=C(C)SC=C1 M46248 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.149 COC(=O)C1=C(C)SC=N1 M3490 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.149 COC(=O)C1=C(Cl)C=CN1 M8084 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.149 COC(=O)C1=C(Cl)C=CS1 M12481 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.149 COC(=O)C1=C(Cl)SC=C1 M42700 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.149 COC(=O)C1=C(F)C=CS1 M42706 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.149 COC(=O)C1=C(N)C=CO1 M14191 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.149 COC(=O)C1=C(N)C=CO1 M29739 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.149 COC(=O)C1=C(N)C=CS1 M22453 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.149 COC(=O)C1=C(N)SC=C1 M12698 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.149 COC(=O)C1=C(O)C=CN1 M38841 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.149 COC(=O)C1=C(O)C=CS1 M42957 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.149 COC(=O)C1=CC=CN1N M43225 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.149 COC(=O)C1=CC=NN1C M21904 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.149 COC(=O)C1=CN=CN1C M11451 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.149 COC(=O)C1=CNC=C1C M23532 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.149 COC(=O)C1=CNN=C1C M43226 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.149 COC(=O)C1=COC=C1Br M63762 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.149 COC(=O)C1=CSC=C1Br M42698 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.149 COC(=O)C1=NC=CN1C M13998 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.192 CC1=CNC(C)=C1C(=O)O D67822 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.192 CN1N=CC(I)=C1C(=O)O K40911 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.194 CC(=O)C1=CNC(Br)=C1C B46179 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.194 CC1=C(C(=O)O)C=CN1C D46413 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.194 CC1=CNC(C(=O)O)=C1C D0626 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.194 CC1=CSC(C(=O)O)=C1C D46250 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.194 CN1C(Br)=CC=C1C(=O)O B42855 [0,1,0,0,0,0|1,0,0]=2 181 B10R2.32 O=C1CCC2=C1C=CS2 D45612 [0,0,0,1,0,0|2,0,0]=3 182 B10R2.32 O=C1CCC2=C1SC=C2 C67539 [0,0,0,1,0,0|2,0,0]=3 183 B10R2.32 O[C@H]1CCN2C=CN=C12 P60959 [0,0,0,1,0,0|1,0,2]=4 184 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,0,0,0,0,1|2,0,0]=3 187 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [0,0,0,0,0,1|2,0,0]=3 188 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 B37228 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,0,0,0,0,1|1,0,0]=2 190 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,0,0,0,0,1|1,0,0]=2 191 B10R1.61 CC(=O)C1=C(C)N=CN=C1 M45983 [0,0,0,0,0,1|2,0,0]=3 192 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,0,0,0,0,1|2,0,0]=3 194 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,0,0,0,0,1|2,0,0]=3 196 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,0,0,0,0,1|2,0,0]=3 197 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [0,0,0,0,0,1|2,0,0]=3 198 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,0,0,0,0,1|2,0,0]=3 199 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,0,0,0,0,1|2,0,0]=3 200 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,0,0,0,0,1|2,0,0]=3 202 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [0,0,0,0,0,1|2,0,0]=3 203 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,0,0,0,0,1|2,0,0]=3 204 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,0,0,0,0,1|2,0,0]=3 205 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,0,0,0,0,1|2,0,0]=3 206 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [0,0,0,0,0,1|2,0,0]=3 207 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [0,0,0,0,0,1|2,0,0]=3 208 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,0,0,0,0,1|2,0,0]=3 209 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.61 CC(=O)C1=NC=CN=C1Cl A11547 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.61 CC(=O)C1=NC=CN=C1N A14612 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.61 CC1=C(C(=N)N)C=CC=C1 M49487 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [0,0,0,0,0,1|2,0,0]=3 214 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,0,0,0,0,1|2,0,0]=3 215 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.61 CC1=C(C(=O)O)C=CN=N1 M14644 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [0,0,0,0,0,1|2,0,0]=3 219 B10R1.61 CC1=C(C(=O)O)C=NC=N1 M42779 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.61 CC1=C(C(=O)O)C=NN=C1 M7666 [0,0,0,0,0,1|3,0,0]=4 221 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [0,0,0,0,0,1|2,0,0]=3 222 B10R1.61 CC1=C(C(N)=O)C=CN=C1 M45976 [0,0,0,0,0,1|2,0,0]=3 223 B10R1.61 CC1=C(C(N)=S)C=CC=C1 M69080 [0,0,0,0,0,1|2,1,0]=4 224 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [0,0,0,0,0,1|2,0,1]=4 225 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [0,0,0,0,0,1|2,0,1]=4 226 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 M0519 [0,0,0,0,0,1|3,0,0]=4 227 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 M43521 [0,0,0,0,0,1|3,0,0]=4 228 B10R1.61 CC1=C([N+](=O)[O-])C=CN=C1 M12598 [0,0,0,0,0,1|3,0,0]=4 229 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 M1856 [0,0,0,0,0,1|3,0,0]=4 230 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 M43522 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.61 CC1=CC=CN=C1C(=N)N M46571 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,0,0,0,0,1|2,0,0]=3 234 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] M3727 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.61 CC1=CC=NN=C1C(=O)O M14534 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.61 CC1=CN=CN=C1C(=O)O M42780 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [0,0,0,0,0,1|3,0,0]=4 238 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 B42449 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 C42454 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 C42455 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.61 NC(=O)C1=C(N)C=CN=C1 A3037 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.61 NC(=O)C1=C(N)C=NC=C1 A3921 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.61 NC(=O)C1=C(N)N=CC=C1 A65610 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.61 NC(=O)C1=C(O)C=NC=C1 H63051 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.61 NC(=O)C1=NC=CC=C1N A15555 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.61 NC1=C(C(=O)O)C=CC=N1 A12487 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.61 NC1=C(C(=O)O)C=CN=C1 A1102 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.61 NC1=C(C(=O)O)C=NC=C1 A4739 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.61 NC1=CC=CN=C1C(=O)O A0472 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B31223 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 B1556 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 C14305 [0,0,0,0,0,1|3,0,0]=4 257 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 C16032 [0,0,0,0,0,1|3,0,0]=4 258 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 C42250 [0,0,0,0,0,1|3,0,0]=4 259 B10R1.61 O=C(O)C1=C(F)C=CC=N1 F10405 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.61 O=C(O)C1=C(F)C=CN=C1 F61354 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.61 O=C(O)C1=C(F)C=NC=C1 F1912 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.61 O=C(O)C1=C(I)C=CC=N1 K42258 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.61 O=C(O)C1=C(O)C=NC=C1 H12635 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.61 O=C(O)C1=CC=CN=C1Br B23274 [0,0,0,0,0,1|3,0,0]=4 265 B10R1.61 O=C(O)C1=CC=CN=C1Cl C22883 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.61 O=C(O)C1=CC=CN=C1F F38458 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.61 O=C(O)C1=CC=CNC1=S T69299 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.61 O=C(O)C1=CNC=CC1=O H67947 [0,0,0,0,0,1|3,0,0]=4 269 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.64 CC(=O)SC1=C(C)OC=C1 M46247 [0,0,0,0,0,1|2,0,0]=3 271 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 B39012 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,0,0,0,0,1|1,0,0]=2 274 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,0,0,0,0,1|2,0,0]=3 275 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C0410 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,0,0,0,0,1|2,0,0]=3 278 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,0,0,0,0,1|2,0,0]=3 279 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [0,0,0,0,0,1|2,0,0]=3 280 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,0,0,0,0,1|2,0,0]=3 281 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [0,0,0,0,0,1|2,0,0]=3 282 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,0,0,0,0,1|2,0,0]=3 283 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [0,0,0,0,0,1|2,0,0]=3 284 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 C32407 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,0,0,0,0,1|2,0,0]=3 287 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,0,0,0,0,1|1,0,0]=2 288 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [0,0,0,0,0,1|2,0,0]=3 289 B10R1.113 CC(=O)C1=NC(N)=NC=C1 A14288 [0,0,0,0,0,1|3,0,0]=4 290 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 B45471 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,0,0,0,0,1|2,0,0]=3 292 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 C61244 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.113 CC(=O)C1=NC=NC(C)=C1 M45984 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.113 CC1=CC=CC(C(=N)N)=C1 M49488 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,0,0,0,0,1|2,0,0]=3 298 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [0,0,0,0,0,1|2,0,1]=4 300 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [0,0,0,0,0,1|2,0,1]=4 301 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [0,0,0,0,0,1|2,0,1]=4 302 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 M42773 [0,0,0,0,0,1|3,0,0]=4 303 B10R1.113 CC1=CC=NC(C(=O)O)=N1 M14425 [0,0,0,0,0,1|3,0,0]=4 304 B10R1.113 CC1=CC=NC(C(N)=O)=N1 M43098 [0,0,0,0,0,1|3,0,0]=4 305 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [0,0,0,0,0,1|3,0,0]=4 306 B10R1.113 CC1=CN=CC(C(N)=O)=N1 M43097 [0,0,0,0,0,1|3,0,0]=4 307 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [0,0,0,0,0,1|3,0,0]=4 308 B10R1.113 CC1=NC=CC(C(=O)O)=N1 M42778 [0,0,0,0,0,1|3,0,0]=4 309 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [0,0,0,0,0,1|3,0,0]=4 310 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.113 NC(=O)C1=NC(O)=CC=C1 H42772 [0,0,0,0,0,1|3,0,0]=4 313 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.113 NC1=CC=CC(C(=O)O)=N1 A4798 [0,0,0,0,0,1|3,0,0]=4 315 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [0,0,0,0,0,1|3,0,0]=4 316 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C42007 [0,0,0,0,0,1|3,0,0]=4 317 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [0,0,0,0,0,1|3,0,0]=4 318 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 B4508 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [0,0,0,0,0,1|3,0,0]=4 320 B10R1.113 O=C(O)C1=CC=CC(F)=N1 F3784 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [0,0,0,0,0,1|3,0,0]=4 322 B7R1.1 C=CC1=CC=CS1 V38168 [2,0,0,0,0,0|1,0,1]=4 323 B7R1.1 CCC1=NC=CN1 E68629 [2,0,0,0,0,0|1,0,1]=4 324 B7R1.1 COC1=CC=CS1 M41123 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.1 N#CC1=CC=CN1 P0691 [2,0,0,0,0,0|1,0,1]=4 326 B7R1.1 NCC1=CC=CN1 P41359 [2,0,0,0,0,0|1,0,1]=4 327 B7R1.1 O=CC1=CC=CN1 P64891 [2,0,0,0,0,0|0,0,0]=2 328 B7R1.1 O=CC1=CC=CS1 T68614 [2,0,0,0,0,0|1,0,0]=3 329 B7R1.1 O=CC1=CC=NO1 K40060 [2,0,0,0,0,0|2,0,0]=4 330 B7R1.1 O=CC1=CN=CO1 X11928 [2,0,0,0,0,0|2,0,0]=4 331 B7R1.1 O=CC1=CN=CS1 T2161 [2,0,0,0,0,0|2,0,0]=4 332 B7R1.1 O=CC1=CNC=C1 P25022 [2,0,0,0,0,0|2,0,0]=4 333 B7R1.1 O=CC1=COC=C1 F65465 [2,0,0,0,0,0|2,0,0]=4 334 B7R1.1 O=CC1=CSC=C1 T12697 [2,0,0,0,0,0|2,0,0]=4 335 B7R1.1 O=CC1=CSC=N1 T2159 [2,0,0,0,0,0|1,0,1]=4 336 B7R1.1 O=CC1=NC=CN1 F2135 [2,0,0,0,0,0|1,0,0]=3 337 B7R1.1 O=CC1=NC=CS1 T2877 [2,0,0,0,0,0|1,0,1]=4 338 B7R1.1 O=CC1=NNC=C1 P23454 [2,0,0,0,0,0|1,0,1]=4 339 B7R1.1 O=CC1=NOC=C1 I0114 [2,0,0,0,0,0|1,0,1]=4 340 B7R1.4 CC1=CC=NN1C D3267 [2,0,0,0,0,0|1,0,0]=3 341 B7R1.4 CC1=CNC=C1C D12050 [2,0,0,0,0,0|2,0,0]=4 342 B7R1.4 CN1C=CN=C1Br B9674 [2,0,0,0,0,0|2,0,0]=4 343 B7R1.4 CN1C=CN=C1Cl C3018 [2,0,0,0,0,0|2,0,0]=4 344 B7R1.4 CN1C=CN=C1I I2903 [2,0,0,0,0,0|2,0,0]=4 345 B7R1.4 CN1C=CN=C1N M40330 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.4 CN1C=CN=C1N M67646 [2,0,0,0,0,0|2,0,0]=4 347 B7R1.4 CN1C=NC=C1Br B2463 [2,0,0,0,0,0|2,0,0]=4 348 B7R1.4 CN1C=NC=C1Cl C40118 [2,0,0,0,0,0|2,0,0]=4 349 B7R1.4 CN1C=NC=C1I K2147 [2,0,0,0,0,0|2,0,0]=4 350 B7R1.4 CN1C=NC=C1N M38381 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.4 CN1N=CC=C1I M9757 [2,0,0,0,0,0|2,0,0]=4 352 B7R1.4 CN1N=CC=C1N M12745 [2,0,0,0,0,0|2,0,0]=4 353 B7R1.4 CN1N=CC=C1O M23117 [2,0,0,0,0,0|1,0,1]=4 354 B7R1.4 CN1N=CCC1=O M40183 [2,0,0,0,0,0|1,0,1]=4 355 B7R1.4 CN1NC=CC1=O M40184 [2,0,0,0,0,0|1,0,0]=3 356 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [1,1,0,0,0,0|1,0,1]=4 357 B9R1.11 COC(=O)C1=CC=CN1 M11015 [1,1,0,0,0,0|0,0,0]=2 358 B9R1.11 COC(=O)C1=CC=CO1 M39270 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.11 COC(=O)C1=CC=CS1 M42941 [1,1,0,0,0,0|1,0,0]=3 360 B9R1.11 COC(=O)C1=CC=NN1 M12748 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.11 COC(=O)C1=CN=CN1 M14078 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.11 COC(=O)C1=CN=CN1 M41348 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.11 COC(=O)C1=CN=CO1 M40997 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.11 COC(=O)C1=CN=CS1 M2158 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.11 COC(=O)C1=CNC=C1 M37783 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.11 COC(=O)C1=CSC=C1 M12826 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.11 COC(=O)C1=CSC=N1 M2932 [1,1,0,0,0,0|1,0,1]=4 368 B9R1.11 COC(=O)C1=NC=CN1 M11275 [1,1,0,0,0,0|1,0,0]=3 369 B9R1.11 COC(=O)C1=NC=CO1 M40998 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.11 COC(=O)C1=NC=CS1 M40994 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.11 NNC(=O)C1=CC=CO1 F66138 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.11 NNC(=O)C1=CC=NN1 P14697 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.11 O=C(CBr)C1=NC=CS1 B40844 [1,1,0,0,0,0|1,0,1]=4 375 B9R1.19 CS(=O)(=O)C1=CC=CS1 M12814 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.35 CC(=O)C1=CC(N)=NN1 A11043 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.35 CC(=O)C1=CN=C(Br)S1 B32437 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.35 CC(=O)C1=CN=C(N)S1 A41052 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.35 CC(=O)C1=CSC(Cl)=C1 A1568 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.35 CC(=O)C1=CSC(N)=N1 A41051 [1,1,0,0,0,0|1,0,1]=4 386 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [1,1,0,0,0,0|1,0,1]=4 387 B9R1.35 CC(=O)C1=NC=C(Br)S1 B13063 [1,1,0,0,0,0|1,0,1]=4 388 B9R1.35 CC(=O)C1=NC=C(Cl)S1 C13062 [1,1,0,0,0,0|1,0,1]=4 389 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [1,1,0,0,0,0|1,0,1]=4 390 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [1,1,0,0,0,0|1,0,1]=4 391 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [1,1,0,0,0,0|1,0,1]=4 392 B9R1.35 CC(=O)N1C=C(I)C=N1 I30035 [1,1,0,0,0,0|1,0,1]=4 393 B9R1.35 CC(=O)N1C=CC(=O)N1 A41035 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.35 NC(=O)C1=CC(Br)=CN1 B40920 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.35 NC(=O)C1=CC(Br)=CO1 B40829 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.35 NC(=O)C1=CC(Br)=CS1 B40841 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.35 NC(=O)C1=CC=C(Br)N1 B8083 [1,1,0,0,0,0|1,0,0]=3 401 B9R1.35 NC(=O)C1=CC=C(Br)S1 B68782 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.35 NC1=CNC(C(=O)O)=N1 A20425 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 C40558 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.35 O=C(O)C1=CC(Br)=CN1 B40831 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.35 O=C(O)C1=CC(Br)=CO1 B13536 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.35 O=C(O)C1=CC(Br)=CS1 B3026 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.35 O=C(O)C1=CC(Cl)=CS1 C12488 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.35 O=C(O)C1=CC=C(Br)S1 B12755 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.35 O=C(O)C1=CC=C(Cl)S1 C10492 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.35 O=C(O)C1=CC=C(F)S1 F7718 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.35 O=C(O)C1=CC=C(I)S1 K40688 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.35 O=C1NC=C(C(=O)O)N1 X40079 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.14 CCN1C=CN=C1C=O E43212 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.14 CCN1C=NC=C1C=O E43539 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.14 COC1=C(C=O)C=CS1 M29841 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.14 COC1=C(C=O)OC=C1 M6472 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.27 CC1=C(C=O)N(C)C=N1 D36814 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.27 CN1N=CC(I)=C1C=O K40948 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.132 CC1=CC=C(CN)N1C A13529 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.132 CC1=CNC(C=O)=C1C D12049 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.132 CC1=NC=C(C=O)N1C D61627 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.132 CN1C(Br)=CN=C1C=O B40925 [1,1,0,0,0,0|1,0,0]=3 427 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 A26401 [0,1,0,0,0,1|1,0,1]=4 428 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 E49881 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 E49269 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 E49275 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 E49270 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.53 CCC1=NC=CN=C1C(C)=O E46656 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 M38276 [0,1,0,0,0,1|1,0,0]=3 434 B11R1.53 COC1=C(C(=O)O)C=CC=N1 M12720 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.53 COC1=C(C(=O)O)C=NC=C1 M45835 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.53 COC1=C(C(C)=O)C=CC=N1 M49287 [0,1,0,0,0,1|1,0,0]=3 437 B11R1.53 COC1=C(C(C)=O)C=CN=C1 M49288 [0,1,0,0,0,1|1,0,0]=3 438 B11R1.53 COC1=C(C(C)=O)C=NC=C1 M29754 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.53 COC1=C(C(N)=O)C=CC=C1 M60565 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.53 COC1=CC=CN=C1C(=O)O M45833 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.53 COC1=CC=CN=C1C(C)=O M27805 [0,1,0,0,0,1|1,0,0]=3 442 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 M69034 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.53 CSC1=NC=CC=C1C(=O)O M62219 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 C48588 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 H49093 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.156 CC(=O)C1=C(Br)C=CC=C1F B48252 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N A38400 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O B24263 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.156 CC(=O)C1=C(Br)C=NC=C1F B37065 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.156 CC(=O)C1=C(C)C=CC=C1C D52784 [0,1,0,0,0,1|1,0,0]=3 451 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1Cl D48271 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F C48278 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1O C48601 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.156 CC(=O)C1=C(F)C=CC=C1F D19087 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.156 CC(=O)C1=C(F)C=CC=C1N A49050 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.156 CC(=O)C1=C(F)C=CC=C1O F48624 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.156 CC(=O)C1=C(O)C=CC=C1C H49900 [0,1,0,0,0,1|1,0,0]=3 458 B11R1.156 CC1=CC=CC(Br)=C1C(=O)O B48568 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.156 CC1=CC=CC(C)=C1C(=O)O D49883 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O C13764 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.156 CC1=CC=CC(F)=C1C(=O)O F48612 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.156 CC1=CC=CC(F)=C1C(N)=O F49048 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.156 CC1=CC=CC(O)=C1C(=O)O H67526 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.156 CC1=CN=CC(F)=C1C(=O)O F37437 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 D52783 [0,1,0,0,0,1|1,0,0]=3 466 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 H49901 [0,1,0,0,0,1|1,0,0]=3 467 B11R1.159 CC(=O)C1=C(F)C(C)=CC=C1 F52047 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 A61143 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 H27971 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 A69212 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.159 CC(=O)C1=CC=CC(Br)=C1F B14139 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.159 CC(=O)C1=CC=CC(Br)=C1O B48580 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1Cl D48270 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1F C69015 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N A49036 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O C48602 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br B48251 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.159 CC(=O)C1=CC=CC(F)=C1Cl C48276 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.159 CC(=O)C1=CC=CC(F)=C1F D48286 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.159 CC(=O)C1=CC=CC(F)=C1O F61654 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.159 CC(=O)C1=CC=CC(N)=C1F A49051 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.159 CC1=C(Br)C=CC=C1C(=O)O B48569 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O B45335 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.159 CC1=C(C(=O)O)C=CC=C1N A39516 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.159 CC1=C(C(=O)O)C=CC=C1O H69264 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br B63227 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.159 CC1=C(C(=O)O)C=CN=C1Cl C61352 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.159 CC1=C(Cl)C=CC=C1C(=O)O C67478 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.159 CC1=C(F)C=CC=C1C(=O)O F38507 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.159 CC1=CC=CC(C(=O)O)=C1C D65554 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.159 CN1C(=O)C=CC=C1C(=O)O M45850 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.159 O=C(O)C1=CC=CC(=O)N1O H42616 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 B48242 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 B48579 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 D68875 [0,1,0,0,0,1|1,0,0]=3 496 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 H49903 [0,1,0,0,0,1|1,0,0]=3 497 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 B48244 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 C48277 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 B8298 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 C48275 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 D69359 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 D67335 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 F48622 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.166 CC(=O)C1=C(N)C=C(Br)C=C1 A49024 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 A50025 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 A49037 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 B9402 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 C61332 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 F69072 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 A49290 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl A9870 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl D63902 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C B37444 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 B24914 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=N1 B45337 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 C38469 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 C19139 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 F48615 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 F45382 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 A49284 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 H68873 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 A60535 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O B38539 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 D49278 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O C45367 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O C23967 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.166 CC1=CC(F)=NC=C1C(=O)O F45383 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 D61273 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 B48243 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 B48249 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.167 CC(=O)C1=C(C)C=CC(Br)=C1 B61483 [0,1,0,0,0,1|1,0,0]=3 532 B11R1.167 CC(=O)C1=C(C)C=CC(F)=C1 F62666 [0,1,0,0,0,1|1,0,0]=3 533 B11R1.167 CC(=O)C1=C(C)C=NC(Cl)=N1 C45701 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 B48247 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=N1 B45033 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.167 CC(=O)C1=C(F)C=CC(Cl)=C1 C48279 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 D48287 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 A49053 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 F48623 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 F48292 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 A49025 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 A49038 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 A49049 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 B3183 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 H49899 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 C48603 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 F39496 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 A49291 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 D39506 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C B49027 [0,1,0,0,0,1|1,0,0]=3 551 B11R1.167 CC(=O)C1=CC(Br)=CN=C1Cl B12729 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F B10880 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 B25445 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 C39492 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 F48616 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 K48634 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 A38108 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 H49098 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 B31303 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.167 CC1=C(C(=O)O)N=C(Cl)C=C1 C17394 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 D39532 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.167 CC1=CC=C(O)N=C1C(=O)O H45843 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.167 CC1=NC=C(Br)C=C1C(=O)O B45336 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O C9688 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [0,1,0,0,0,1|1,0,0]=3 566 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 A67666 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.222 CNC(=O)C1=C(N)C=CN=C1 A46341 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.222 CNC(=O)C1=C(N)N=CC=C1 A46340 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.222 CNC(=O)C1=NC=CC=C1O H46003 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 M14100 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 M12636 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.222 COC(=O)C1=C(C)C=CC=C1 M39531 [0,1,0,0,0,1|1,0,0]=3 578 B11R1.222 COC(=O)C1=C(C)C=CN=C1 M38020 [0,1,0,0,0,1|1,0,0]=3 579 B11R1.222 COC(=O)C1=C(C)C=NC=C1 M11262 [0,1,0,0,0,1|1,0,0]=3 580 B11R1.222 COC(=O)C1=C(C)C=NN=C1 M11606 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.222 COC(=O)C1=C(C)N=CC=C1 M11023 [0,1,0,0,0,1|1,0,0]=3 582 B11R1.222 COC(=O)C1=C(Cl)C=CC=N1 M45351 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 M45369 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.222 COC(=O)C1=C(Cl)C=NC=C1 M45356 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.222 COC(=O)C1=C(F)C=CC=C1 M69073 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.222 COC(=O)C1=C(F)C=CC=N1 M25907 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.222 COC(=O)C1=C(F)C=NC=C1 M1911 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.222 COC(=O)C1=C(I)C=CC=C1 M67835 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.222 COC(=O)C1=C(I)C=CC=N1 M45391 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.222 COC(=O)C1=C(I)C=NC=C1 M10415 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.222 COC(=O)C1=C(N)C=CN=C1 A1097 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.222 COC(=O)C1=C(N)C=NC=C1 M0549 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.222 COC(=O)C1=C(N)N=CC=C1 M27310 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.222 COC(=O)C1=C(O)C=NC=C1 M15996 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.222 COC(=O)C1=C(O)N=CC=C1 M38592 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.222 COC(=O)C1=C(S)C=CC=C1 M69035 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.222 COC(=O)C1=CC=CN=C1Br M24089 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.222 COC(=O)C1=CC=CN=C1Cl M0433 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.222 COC(=O)C1=CC=CN=C1F M45374 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.222 COC(=O)C1=CC=CNC1=O M45848 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.222 COC(=O)C1=CNC=CC1=O M36878 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.222 COC(=O)C1=NC=CC=C1C M24449 [0,1,0,0,0,1|1,0,0]=3 603 B11R1.222 COC(=O)C1=NC=CC=C1N M23281 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.222 COC(=O)C1=NC=CN=C1C M23587 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 B60597 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 B48254 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 F48290 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.228 COC(=O)CC1=CC=CN1C M46931 [0,1,0,0,0,1|0,0,0]=2 611 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 B39475 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 B48269 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 A49026 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.21 CC(=O)C1=CC(Br)=C(O)C=C1 B48581 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 B52034 [0,1,0,0,0,1|1,0,0]=3 617 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 B63831 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 C52042 [0,1,0,0,0,1|1,0,0]=3 619 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 F28728 [0,1,0,0,0,1|1,0,0]=3 620 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 B48245 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 D39476 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 C48274 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 B48250 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 C69014 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 D39477 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 A49052 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 F48621 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.21 CC(=O)C1=CC(N)=C(Cl)C=C1 A49040 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 D68113 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C49042 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 B38437 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 B37042 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 D69089 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 D49279 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 C39491 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 F39495 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 F37719 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 K63515 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 A39517 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 H49097 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.21 CN1C=C(C(=O)O)C=CC1=O D7475 [0,1,0,0,0,1|1,0,0]=3 644 B11R1.21 CN1N=C(C(=O)O)C=CC1=O M12596 [0,1,0,0,0,1|1,0,0]=3 645 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 B52023 [0,1,0,0,0,1|1,0,0]=3 646 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 M46653 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 H49893 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 B61988 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 F38669 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 B69408 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.23 COC(=O)C1=CC(C)=NC=C1 M67329 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.23 COC(=O)C1=CC(N)=CC=C1 M69084 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.23 COC(=O)C1=CC(O)=CC=C1 M37841 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.23 COC(=O)C1=CC=CC(=O)N1 M38198 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 M48565 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.23 COC(=O)C1=CC=CC(Br)=N1 M22709 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 M22864 [0,1,0,0,0,1|2,0,0]=4 658 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 M24789 [0,1,0,0,0,1|2,0,0]=4 659 B11R1.23 COC(=O)C1=CC=CC(F)=C1 M39493 [0,1,0,0,0,1|2,0,0]=4 660 B11R1.23 COC(=O)C1=CC=CC(F)=N1 M23753 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.23 COC(=O)C1=CC=CC(I)=C1 M48629 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.23 COC(=O)C1=CN=CC(C)=C1 M12907 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.23 COC(=O)C1=NC(C)=CC=C1 M49292 [0,1,0,0,0,1|1,0,0]=3 664 B11R1.23 COC(=O)C1=NC(C)=CC=N1 M23011 [0,1,0,0,0,1|2,0,0]=4 665 B11R1.23 COC(=O)C1=NC(C)=CN=C1 M46012 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.23 COC(=O)C1=NC(N)=CC=C1 M8927 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.23 COC(=O)C1=NC=CC(C)=C1 M49276 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 B48248 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 B48255 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 B68743 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 B68490 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 D38007 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 B20352 [0,1,0,0,0,1|2,0,0]=4 674 B11R1.74 CC(=O)C1=CC(Br)=CC(F)=C1 B48253 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 B52033 [0,1,0,0,0,1|1,0,0]=3 676 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 D52785 [0,1,0,0,0,1|1,0,0]=3 677 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 D48272 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 D48284 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 H49902 [0,1,0,0,0,1|1,0,0]=3 680 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 D49099 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=C1 B48571 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 A49283 [0,1,0,0,0,1|2,0,0]=4 683 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 H49096 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=C1 C48594 [0,1,0,0,0,1|2,0,0]=4 685 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C45370 [0,1,0,0,0,1|2,0,0]=4 686 B11R1.74 CC1=CC(F)=CC(C(=O)O)=C1 F48614 [0,1,0,0,0,1|2,0,0]=4 687 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 K48633 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.266 CC(=O)C1=CC(C#N)=CC=C1 A51159 [0,1,0,0,0,1|1,0,1]=4 689 B11R1.266 CC(=O)C1=NC(C#N)=CC=C1 A47868 [0,1,0,0,0,1|1,0,1]=4 690 B11R1.266 COC1=CC=CC(C(=O)O)=N1 M45837 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.266 COC1=CC=CC(C(C)=O)=C1 M27970 [0,1,0,0,0,1|1,0,0]=3 692 B11R1.266 COC1=CC=CC(C(C)=O)=N1 A49277 [0,1,0,0,0,1|1,0,0]=3 693 B11R1.266 COC1=CC=CC(C(N)=O)=N1 M39020 [0,1,0,0,0,1|2,0,0]=4 694 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 M49088 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.266 CSC1=NC(C(C)=O)=CC=N1 M46058 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.266 NC(=O)C1=CC=CC(CBr)=C1 B39073 [0,1,0,0,0,1|2,0,0]=4 697 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 A49646 [0,1,0,0,0,1|2,0,0]=4 698 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 A46649 [0,1,0,0,0,1|2,0,0]=4 699 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 H62311 [0,1,0,0,0,1|2,0,0]=4 700 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 B38629 [0,1,0,0,0,1|2,0,0]=4 701 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 C48590 [0,1,0,0,0,1|2,0,0]=4 702 B11R1.266 O=C(O)C1=NC(CO)=CC=C1 H45841 [0,1,0,0,0,1|2,0,0]=4 703 B11R1.49 CCN1N=C(C)C=C1C(=O)O E29866 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.59 COC(=O)C1=C(OC)C=CS1 M61504 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.50 CCC1=NN(C)C(C(=O)O)=C1 E43666 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.225 COC(=O)C1=C(C)C=C(C)N1 M63511 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.225 COC(=O)C1=C(C)SC(Br)=C1 M45909 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.225 COC(=O)C1=CC(=O)NN1C M43251 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.225 COC(=O)C1=CC(Br)=CN1C M46130 [0,2,0,0,0,0|0,0,0]=2 710 B11R1.225 COC(=O)C1=CC(C)=NN1C M43664 [0,2,0,0,0,0|1,0,0]=3 711 B11R1.225 COC(=O)C1=CC(Cl)=NN1C M10639 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.225 COC(=O)C1=CC(N)=CN1C M63534 [0,2,0,0,0,0|0,0,0]=2 713 B11R1.225 COC(=O)C1=NC(Br)=CN1C M36951 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.225 COC(=O)C1=NC(N)=CN1C M43369 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.199 CCOC(=O)C1=C(C)C=CN1 E7945 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.199 CCOC(=O)C1=C(C)NC=C1 E46928 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.199 CCOC(=O)C1=CC=NN1C E43657 [0,2,0,0,0,0|1,0,0]=3 718 B11R1.199 CCOC(=O)C1=CN=CN1N E43362 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.199 CCOC(=O)C1=CNC=C1C E46929 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.199 CCOC(=O)C1=NC=CN1C E43661 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.865 COC(=O)C1=CC=C(Br)N1C M32391 [0,2,0,0,0,0|0,0,0]=2 722 B11R1.865 COC(=O)C1=CN=C(Br)N1C M43036 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.865 COC(=O)C1=CN=C(S)N1C M43242 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.875 COC(=O)C1=C(Br)C=NN1C M67334 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.875 COC(=O)C1=C(C)SC=C1N M46424 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.875 COC(=O)C1=C(I)C=NN1C M25212 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.875 COC(=O)C1=C(O)C=CN1C M46435 [0,2,0,0,0,0|0,0,0]=2 728 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [0,0,1,1,0,0|2,0,0]=4 729 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [0,0,1,1,0,0|2,0,0]=4 730 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,0,1,1,0,0|1,0,0]=3 731 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [0,0,1,1,0,0|1,0,1]=4 732 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [0,0,1,1,0,0|1,0,1]=4 733 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [0,0,1,1,0,0|2,0,0]=4 734 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,0,1,1,0,0|1,0,0]=3 735 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,0,1,1,0,0|2,0,0]=4 736 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,0,1,1,0,0|1,0,1]=4 737 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [0,0,1,1,0,0|2,0,0]=4 738 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [0,0,1,1,0,0|2,0,0]=4 739 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [0,0,1,1,0,0|1,0,1]=4 740 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [0,0,1,1,0,0|1,0,0]=3 741 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [0,0,1,1,0,0|2,0,0]=4 742 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [0,0,1,1,0,0|1,0,1]=4 743 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [0,0,1,1,0,0|1,0,1]=4 744 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [0,0,1,1,0,0|1,0,1]=4 745 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [0,0,1,1,0,0|1,0,1]=4 746 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [0,0,1,1,0,0|0,0,2]=4 747 B9R1.15 CNC1=CC=CN=C1Cl C42994 [0,0,1,1,0,0|2,0,0]=4 748 B9R1.15 CNC1=CC=CN=C1N M62813 [0,0,1,1,0,0|2,0,0]=4 749 B9R2.3 C1=CN2CCCC2=N1 D63557 [1,0,0,1,0,0|1,0,1]=4 750 B9R2.3 C1=CN2CCN=C2N1 D62381 [1,0,0,1,0,0|2,0,0]=4 751 B9R2.3 C1=NN2CCCC2=C1 D16430 [1,0,0,1,0,0|1,0,1]=4 752 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [0,0,0,1,0,1|2,0,0]=4 753 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,0,0,1,0,1|1,0,0]=3 754 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [0,0,0,1,0,1|1,0,0]=3 755 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,0,0,1,0,1|1,0,0]=3 756 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,0,0,1,0,1|1,0,0]=3 757 B11R2.1 O=C1COC2=C1C=CN=C2 F37015 [0,0,0,1,0,1|2,0,0]=4 758 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [0,0,0,1,0,1|2,0,0]=4 759 B11R2.1 O=C1NCC2=C1C=CC=N2 D45227 [0,0,0,1,0,1|2,0,0]=4 760 B11R2.1 O=C1NCC2=C1C=NC=C2 D1721 [0,0,0,1,0,1|2,0,0]=4 761 B11R2.1 O=C1OCC2=C1C=CC=N2 F44926 [0,0,0,1,0,1|2,0,0]=4 762 B11R2.106 C[C@@H]1NCCN2C=CC=C12 T46975 [0,1,0,1,0,0|1,0,1]=4 763 B11R2.106 O=C1C=CNN2C=CC=C12 P0600 [0,1,0,1,0,0|0,0,2]=4 764 B11R2.106 O=C1CCCC2=C1C=CO2 D49075 [0,1,0,1,0,0|2,0,0]=4 765 B11R2.106 O=C1CCCC2=C1C=CS2 B13835 [0,1,0,1,0,0|2,0,0]=4 766 B11R2.106 O=C1CCCN2C=NC=C12 D23645 [0,1,0,1,0,0|1,0,0]=3 767 B11R2.106 O=C1CCCN2N=CC=C12 D45989 [0,1,0,1,0,0|1,0,0]=3 768 B11R2.106 O=C1COCC2=C1C=CN2 D14771 [0,1,0,1,0,0|2,0,0]=4 769 B11R2.106 O=C1N=CNN2C=CC=C12 P1212 [0,1,0,1,0,0|1,0,1]=4 770 B11R2.106 O=C1NC=CN2C=CC=C12 P5354 [0,1,0,1,0,0|0,0,2]=4 771 B11R2.106 O=C1NCCC2=C1C=CO2 F60340 [0,1,0,1,0,0|2,0,0]=4 772 B11R2.60 CN1C=CC2=C1CCC2=O M60434 [0,1,0,1,0,0|2,0,0]=4 773 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,0,0,0,0,2|2,0,0]=4 774 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,0,0,0,0,2|2,0,0]=4 775 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,0,0,0,0,2|2,0,0]=4 776 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 K63586 [0,0,0,0,0,2|2,0,0]=4 777 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,0,0,0,0,2|2,0,0]=4 778 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [0,0,0,0,0,2|2,0,0]=4 779 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,0,0,0,0,2|2,0,0]=4 780 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,0,0,0,0,2|2,0,0]=4 781 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,0,0,0,0,2|2,0,0]=4 782 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,0,0,0,0,2|2,0,0]=4 783 B11R1.157 CC(=O)NC1=CC=CC(Br)=N1 B45691 [0,0,0,0,0,2|2,0,0]=4 784 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 F2848 [0,0,0,0,0,2|2,0,0]=4 785 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 A46342 [0,0,0,0,0,2|2,0,0]=4 786 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 F48608 [0,0,0,0,0,2|2,0,0]=4 787 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 K48628 [0,0,0,0,0,2|2,0,0]=4 788 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 T49882 [0,0,0,0,0,2|2,0,0]=4 789 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 S49484 [0,0,0,0,0,2|2,0,0]=4