0 B9R1.35 CC(=O)C1=CC(Br)=CS1 Q67343 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CN(C)N=C1 O31882 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(=O)C1=CN=C(N)S1 L18220 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=CSC(Cl)=C1 G-5625 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 CC(=O)C1=NC(C)=CO1 M15480 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=NC=C(C)S1 O31088 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(=O)C1=NN(C)C=C1 K12255 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(=O)C1=NNC(N)=C1 G-7055 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC(O)C1=CN(C)N=C1 O30374 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 CC(O)C1=CSC(Cl)=C1 G-6181 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 CC1=CC(C(=O)O)=CN1 M15493 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 CC1=CC(C(=O)O)=CS1 I-9860 [0,0,0,0,0,0|0,0,0]=0 12 B9R1.35 CC1=CC(C(=O)O)=NN1 G-6037 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 CC1=CC=C(B(O)O)S1 Q66513 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 CC1=CN=C(C(=O)[O-])O1 L21445 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 CC1=CSC(B(O)O)=C1 Q66514 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.35 CC1=CSC(C(=O)O)=C1 G-7586 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 CC1=NC(C(N)=O)=CS1 O34426 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 CC1=NC(C(N)=S)=CO1 O29664 [0,0,0,0,0,0|2,2,0]=4 20 B9R1.35 CC1=NOC(C(=O)O)=C1 O30705 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 CC1=NSC(C(=O)[O-])=N1 P50213 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.35 CN1C=C(B(O)O)C=N1 Q52576 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.35 CN1C=C(C(=O)O)C=N1 G-5543 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 CN1C=CC(C(=O)Cl)=N1 O30468 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 CN1C=CC(C(=O)O)=N1 K12250 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 CN1C=NC(C(=O)O)=C1 G-5691 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 NC(=O)C1=CC=C(Br)N1 G-6434 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 NC(=O)C1=CN=C(Br)S1 P35827 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 NC1=CN=C(C(=O)O)S1 G-5065 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 NC1=NC(C(=O)O)=CO1 G-7158 [0,0,0,0,0,0|2,1,0]=3 31 B9R1.35 NC1=NC(C(=O)O)=CS1 O30841 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.35 O=C(O)C1=CC(Br)=NN1 H-8098 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.35 O=C(O)C1=CC(Cl)=CS1 O30065 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 O=C(O)C1=CC=C(Cl)S1 G-6814 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.35 O=C(O)C1=CC=C(F)S1 G-5621 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 O=C(O)C1=CN=C(Cl)S1 O31901 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 O=C(O)C1=COC(Cl)=N1 O30387 [0,0,0,0,0,0|2,1,0]=3 38 B9R1.35 O=C(O)C1=CSC(Cl)=C1 G-5624 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.35 O=C(O)C1=NC(Br)=CS1 G-6045 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.35 O=C(O)C1=NC=C(Br)S1 I-9912 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.35 O=C(O)C1=NC=C(Cl)S1 I-9904 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.35 O=C(O)C1=NNC(Br)=C1 H-8089 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 O=C(O)C1=NNC(Cl)=C1 O34355 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.35 O=C(O)C1=NNC(F)=C1 Q52440 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.35 O=C1C=C(C(=O)O)CC1 O30224 [0,0,0,0,0,0|2,0,1]=3 46 B9R1.35 O=C1NC=C(C(=O)O)N1 O34427 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.1 C(=O)C1=CN(C)N=C1 A-905 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.1 C(=O)C1=CN=C(C)N1 F-4064 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.1 CC1=CC(C=O)=CS1 L14285 [1,0,0,0,0,0|0,0,0]=1 50 B8R1.1 CC1=CSC(C=O)=C1 Q67410 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.1 CC1=CSC(CO)=C1 Q68378 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.1 CC1=NC(C#N)=CS1 O31164 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.1 CC1=NC(C=O)=CO1 O30450 [1,0,0,0,0,0|1,1,0]=3 54 B8R1.1 CC1=NC(C=O)=CS1 O30852 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.1 CC1=NC(CBr)=CS1 L20988 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.1 CC1=NC(CCl)=CS1 O30578 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.1 CC1=NC(CN)=CS1 O30768 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.1 CC1=NC(CO)=CO1 O31665 [1,0,0,0,0,0|1,1,1]=4 59 B8R1.1 CC1=NC=C(C=O)S1 O31139 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.1 CN1C=C(CO)C=N1 G-5395 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.1 CN1C=CC(C=O)=N1 O31801 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.1 CN1C=NC(C=O)=C1 G-6087 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.1 N#CC1=CSC(Br)=C1 I-9579 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.1 N#CC1=CSC(Cl)=C1 G-5519 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.1 NC1=NC=C(C=O)S1 P43544 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.1 NCC1=CSC(Br)=C1 O33369 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.1 NCC1=CSC(Br)=C1 O34212 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.1 NCC1=CSC(Cl)=C1 G-5520 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.1 O=CC1=CC(Br)=NN1 Q52203 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.1 O=CC1=CC(Cl)=CS1 O30331 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.1 O=CC1=CC(I)=CN1 O30775 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.1 O=CC1=CC=C(Cl)S1 G-5619 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.1 O=CC1=CN=C(Br)S1 Q67553 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 O=CC1=CN=C(Cl)S1 S70888 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.1 O=CC1=CSC(Br)=C1 L22211 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.1 O=CC1=CSC(Cl)=C1 G-5623 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.1 O=CC1=CSC(Cl)=N1 O31704 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.1 OCC1=CSC(Br)=C1 N25883 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.1 OCC1=CSC(Br)=N1 P37668 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.1 OCC1=CSC(Cl)=C1 G-5626 [1,0,0,0,0,0|1,0,1]=3 81 B8R1.7 CC(=O)C1=CNC=N1 P51504 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.7 CC(=O)C1=CNN=C1 H-8406 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.7 CC(O)C1=CSC=C1 O31068 [1,0,0,0,0,0|1,0,1]=3 85 B8R1.7 NC(=O)C1=CC=CN1 P38018 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.7 NC(=O)C1=CN=CO1 O31664 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.7 NC(=O)C1=CN=CS1 O30585 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.7 NC(=O)C1=CNC=N1 M15544 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.7 NC(=O)C1=COC=N1 O34456 [1,0,0,0,0,0|2,1,0]=4 90 B8R1.7 NC(=S)C1=CSC=N1 O30629 [1,0,0,0,0,0|2,1,0]=4 91 B8R1.7 O=C(O)C1=CC=NS1 P51141 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.7 O=C(O)C1=CNN=C1 G-5584 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.7 O=C(O)C1=CNN=N1 F-4261 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.7 O=C(O)C1=COC=N1 I-9284 [1,0,0,0,0,0|1,1,0]=3 95 B8R1.7 O=C(O)C1=COCC1 C-2964 [1,0,0,0,0,0|0,1,2]=4 96 B8R1.7 O=C(O)C1=CSN=C1 L22423 [1,0,0,0,0,0|1,0,0]=2 97 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.7 O=C(O)C1=NC=NO1 H-8647 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.7 O=C(O)C1=NNC=C1 I-9172 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.7 O=C(O)C1=NSC=C1 O30998 [1,0,0,0,0,0|1,0,0]=2 101 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.7 O=[N+]([O-])C1=CSN=C1 P51260 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.7 OB(O)C1=CSC=N1 N25501 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.14 CC1=CC=C(C(=O)NN)O1 O31675 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.14 CC1=NC(C(=O)NN)=CO1 O31140 [0,1,0,0,0,0|2,1,0]=4 107 B10R1.14 CC1=NC(C(=O)NN)=CS1 P50968 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.14 CNC(=O)C1=CSC(Br)=N1 P42699 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.14 COC(=O)C1=CC(=O)CC1 O31344 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.14 COC(=O)C1=CC(Br)=CS1 G-5587 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.14 COC(=O)C1=CC(Br)=NO1 M15728 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.14 COC(=O)C1=CC(Cl)=CN1 Q53057 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.14 COC(=O)C1=CC(Cl)=CS1 L22458 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.14 COC(=O)C1=CC(N)=NN1 A-899 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.14 COC(=O)C1=CC=C(Br)N1 O30342 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.14 COC(=O)C1=CC=C(Br)S1 G-5588 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.14 COC(=O)C1=CC=C(N)O1 G-7080 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.14 COC(=O)C1=CN(C)C=N1 O30861 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.14 COC(=O)C1=CN=C(Cl)O1 O30866 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.14 COC(=O)C1=CN=C(N)O1 O30786 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.14 COC(=O)C1=CNC(Br)=C1 A-983 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.14 COC(=O)C1=COC(Br)=N1 O31619 [0,1,0,0,0,0|2,1,0]=4 123 B10R1.14 COC(=O)C1=COC(N)=N1 Q54663 [0,1,0,0,0,0|2,1,0]=4 124 B10R1.14 COC(=O)C1=CSC(C)=N1 O34523 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.14 COC(=O)C1=CSC(Cl)=C1 G-6180 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.14 COC(=O)C1=NC=C(C)O1 L13687 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.14 COC(=O)C1=NN(C)C=C1 K12251 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.14 COC(=O)C1=NNC(Cl)=C1 L21402 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.14 COC(=O)C1=NNC(I)=C1 I-9421 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.31 CCC1=CC(C(=O)O)=NN1 O31066 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.31 CCC1=CC=C(C(=O)O)S1 Q68130 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.31 CCN1C=C(C(=O)O)C=N1 H-8578 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.31 CCN1C=CC(C(=O)O)=N1 H-8297 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.31 CCN1C=NC(C(=O)O)=C1 F-4731 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.31 COC1=CSC(C(=O)O)=C1 O30204 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.31 CSC1=CC(B(O)O)=CS1 N27268 [0,1,0,0,0,0|1,0,1]=3 137 B10R1.31 N#CC1=CC=C(C(=O)O)O1 Q69824 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.31 O=CC1=CC(B(O)O)=CS1 Q67514 [0,1,0,0,0,0|1,0,2]=4 139 B10R1.31 O=CC1=CC=C(C(=O)O)S1 O31938 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.58 CC1=C(Br)C=C(C(=O)O)O1 L19302 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.58 CN1N=C(C(=O)O)C=C1Br H-8090 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.58 CN1N=C(C(=O)O)C=C1N G-5779 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.58 CN1N=C(C(=O)O)C=C1O H-8034 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)S1 O30383 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.59 CC1=CN(C)N=C1C(=O)O Q62115 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 P43319 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 F-4528 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.59 CC1=NN(C)C=C1C(=O)O A-648 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 O30659 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.59 CN1C=C(C(=O)O)C(F)=N1 Q60676 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 K12252 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.59 CN1C=C(F)C(C(=O)O)=N1 P49420 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.59 CN1N=C(Br)C=C1C(=O)O H-8430 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.59 CN1N=C(Cl)C=C1C(=O)O G-6869 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 Q67324 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.194 CC(=O)C1=CSC(Cl)=C1Cl L19589 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.194 CC1=C(C(=O)O)C=NN1C A-649 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.194 CC1=C(C(=O)O)SC=C1Br Q65603 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 O30456 [0,1,0,0,0,0|0,0,0]=1 160 B10R1.194 CC1=C(F)C(C(=O)O)=NN1 Q60917 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.194 CC1=CNC(C(=O)O)=C1C C-3353 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.194 CC1=NC=C(C(=O)O)N1C A-863 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.194 CN1C(Br)=CC=C1C(=O)O O30276 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.194 CN1N=CC(C(=O)O)=C1F Q60673 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.194 CN1N=CC(C(=O)O)=C1O Q60572 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.194 O=C(O)C1=C(Cl)C(Cl)=NS1 O31832 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 Q70074 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.194 O=C(O)C1=NNC(Cl)=C1Cl F-4538 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.23 CC(C)\C=C(/F)C(=O)O F-4311 [0,0,1,0,0,0|2,0,1]=4 170 B8R0.28 CN(C)C\C=C\C(=O)O K12319 [0,0,1,0,0,0|2,0,1]=4 171 B10R1.13 CC(=O)C1=CC=C(F)N=C1 P35858 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 Q67245 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [0,0,0,0,0,1|2,0,0]=3 174 B10R1.13 CC(=O)C1=CN=C(C)N=C1 H-8030 [0,0,0,0,0,1|2,0,0]=3 175 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 Q54991 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.13 CC(=O)C1=CN=C(N)C=C1 Q55451 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 O30755 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [0,0,0,0,0,1|2,0,0]=3 179 B10R1.13 CC(=O)C1=NC=C(C)C=N1 O31005 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.13 CC(=O)C1=NC=C(C)N=C1 F-4678 [0,0,0,0,0,1|2,0,0]=3 181 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 P34872 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 O30416 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.13 CC(=O)C1=NC=C(F)C=C1 O30491 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.13 CC1=CC=C(C(C)O)C=N1 P43130 [0,0,0,0,0,1|2,0,1]=4 185 B10R1.13 CC1=CC[C@H](C(=O)O)CC1 P49327 [0,0,0,0,0,1|1,0,2]=4 186 B10R1.13 CC1=CN=C(C(=O)O)C=N1 G-7280 [0,0,0,0,0,1|1,0,0]=2 187 B10R1.13 CC1=CN=C(C(=O)O)N=C1 G-6321 [0,0,0,0,0,1|2,0,0]=3 188 B10R1.13 CC1=NC=C(B(O)O)C=C1 Q66950 [0,0,0,0,0,1|2,0,1]=4 189 B10R1.13 CC1=NC=C(B(O)O)C=N1 L21803 [0,0,0,0,0,1|2,0,1]=4 190 B10R1.13 CC1=NC=C(C(=O)O)C=N1 P44549 [0,0,0,0,0,1|1,0,0]=2 191 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 I-9184 [0,0,0,0,0,1|2,0,1]=4 192 B10R1.13 CC1=NC=C([N+](=O)[O-])C=N1 L13164 [0,0,0,0,0,1|2,0,1]=4 193 B10R1.13 NC(=O)C1=CC=C(Br)N=C1 P35365 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.13 NC(=O)C1=CC=C(F)N=C1 Q58490 [0,0,0,0,0,1|3,0,0]=4 195 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 O30890 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 N24759 [0,0,0,0,0,1|3,0,0]=4 197 B10R1.13 NC(=O)C1=NC=C(N)C=C1 O30308 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.13 NC1=CN=C(C(=O)O)C=C1 E-3036 [0,0,0,0,0,1|2,0,0]=3 200 B10R1.13 NC1=CN=C(C(=O)O)C=N1 10608 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.13 NC1=CN=C(C(=O)O)N=C1 O33536 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.13 NC1=NC=C(C(=O)O)C=C1 C-3709 [0,0,0,0,0,1|2,0,0]=3 203 B10R1.13 NC1=NN=C(C(=O)O)C=C1 G-5218 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.13 O=C(Cl)C1=NC=C(Cl)C=C1 N25108 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.13 O=C(O)C1=CC=C(F)N=C1 E-3040 [0,0,0,0,0,1|2,0,0]=3 206 B10R1.13 O=C(O)C1=CC=C(O)N=N1 C-2295 [0,0,0,0,0,1|3,0,0]=4 207 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 Q64836 [0,0,0,0,0,1|2,0,0]=3 208 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 G-5309 [0,0,0,0,0,1|2,0,0]=3 209 B10R1.13 O=C(O)C1=CN=C(O)N=C1 O31007 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 G-6770 [0,0,0,0,0,1|2,0,0]=3 211 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 Q52548 [0,0,0,0,0,1|2,0,0]=3 212 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 G-7253 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 B-1219 [0,0,0,0,0,1|2,0,0]=3 214 B10R1.13 O=C(O)C1=NC=C(F)C=C1 P42746 [0,0,0,0,0,1|2,0,0]=3 215 B10R1.13 O=C(O)C1=NC=C(F)C=N1 H-8066 [0,0,0,0,0,1|3,0,0]=4 216 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 L14250 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 B-1753 [0,0,0,0,0,1|3,0,0]=4 219 B10R1.54 CC1=CN(CC(=O)O)N=C1 S72605 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.54 CN1C=CC(CC(=O)O)=N1 L19762 [0,0,0,0,0,1|3,0,0]=4 221 B10R1.54 CN1C=CC(CC(=O)O)=N1 Q61773 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.54 CN1C=NC(CC(=O)O)=C1 L22317 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.54 C[N+]1=CN(CC(=O)O)C=C1 O34123 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.54 NC1=NC=C(CC(=O)O)S1 I-9028 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.54 O=C(O)CC1=CC(=O)NN1 F-4542 [0,0,0,0,0,1|3,0,0]=4 226 B10R1.54 O=C(O)CC1=CC=C(Br)S1 O31012 [0,0,0,0,0,1|3,0,0]=4 227 B10R1.54 O=C(O)CC1=NNC(Br)=C1 Q61548 [0,0,0,0,0,1|3,0,0]=4 228 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [0,0,0,0,0,1|3,0,0]=4 229 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Q62345 [0,0,0,0,0,1|3,0,0]=4 230 B10R1.113 CC(=O)C1=CC(C)=NC=N1 M15580 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 O32374 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C-3316 [0,0,0,0,0,1|3,0,0]=4 233 B10R1.113 CC(=O)C1=CC(F)=CN=C1 P43295 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.113 CC(=O)C1=NC=CC(C)=C1 P37184 [0,0,0,0,0,1|2,0,0]=3 235 B10R1.113 CC(=O)C1=NC=CC(C)=N1 Q65344 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 P37163 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P49779 [0,0,0,0,0,1|1,0,0]=2 238 B10R1.113 CC1=CC(C(=O)O)=NN=C1 L14505 [0,0,0,0,0,1|2,0,0]=3 239 B10R1.113 CC1=CN=CC(C(=O)O)=C1 I-9162 [0,0,0,0,0,1|1,0,0]=2 240 B10R1.113 CC1=CN=CC(C(=O)O)=N1 G-6898 [0,0,0,0,0,1|2,0,0]=3 241 B10R1.113 CC1=NC(C(=O)O)=NC=C1 L14301 [0,0,0,0,0,1|2,0,0]=3 242 B10R1.113 CC1=NC=CC(B(O)O)=C1 O30330 [0,0,0,0,0,1|2,0,1]=4 243 B10R1.113 CC1=NC=NC(C(=O)O)=C1 I-9646 [0,0,0,0,0,1|1,0,0]=2 244 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 P51219 [0,0,0,0,0,1|2,0,0]=3 245 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 O29660 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.113 NC(=O)C1=CC(F)=CN=C1 P36523 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 G-7501 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.113 NC1=NC=CC(C(=O)O)=C1 G-6760 [0,0,0,0,0,1|2,0,0]=3 250 B10R1.113 NC1=NC=CC(C(=O)O)=N1 O31660 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 Q66304 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 O30825 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 Q68020 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 G-6966 [0,0,0,0,0,1|2,0,0]=3 255 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 G-7305 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.113 O=C(O)C1=CC(F)=CN=C1 C-3613 [0,0,0,0,0,1|2,0,0]=3 257 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 L13496 [0,0,0,0,0,1|3,0,0]=4 258 B10R1.113 O=C(O)C1=CC=CC(S)=N1 Q58206 [0,0,0,0,0,1|3,0,0]=4 259 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 G-6839 [0,0,0,0,0,1|2,0,0]=3 260 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C-2323 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.113 O=C(O)C1=CN=CC(O)=C1 G-7172 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 O30875 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.113 O=C(O)C1=NC(O)=NC=C1 O30222 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B-1209 [0,0,0,0,0,1|2,0,0]=3 265 B10R1.113 O=C(O)C1=NC=CC(F)=C1 O30336 [0,0,0,0,0,1|2,0,0]=3 266 B10R1.113 O=C(O)C1=NC=CC(I)=C1 G-6705 [0,0,0,0,0,1|2,0,0]=3 267 B10R1.113 O=C1C=C(C(=O)O)NC=N1 Q57219 [0,0,0,0,0,1|2,0,0]=3 268 B7R0.6 CC(C)=CCC(=O)O P43260 [1,0,1,0,0,0|0,0,2]=4 269 B7R0.15 C\C=C(/C#N)C(=O)O F-4312 [1,0,1,0,0,0|1,0,1]=4 270 B7R1.1 BrCC1=CSC=C1 Q68601 [2,0,0,0,0,0|1,0,1]=4 271 B7R1.1 C(=O)C1=CN=CS1 Q52103 [2,0,0,0,0,0|2,0,0]=4 272 B7R1.1 O=CC1=CN=CO1 I-9061 [2,0,0,0,0,0|2,0,0]=4 273 B7R1.1 O=CC1=CNN=C1 C-2878 [2,0,0,0,0,0|2,0,0]=4 274 B7R1.1 O=CC1=CNN=C1 G-5044 [2,0,0,0,0,0|2,0,0]=4 275 B7R1.1 O=CC1=COC=N1 K12239 [2,0,0,0,0,0|1,1,0]=4 276 B7R1.1 O=CC1=CSC=N1 Q68013 [2,0,0,0,0,0|1,0,0]=3 277 B7R1.1 O=CC1=NNC=C1 O31194 [2,0,0,0,0,0|2,0,0]=4 278 B7R1.1 OCC1=CSC=N1 O30740 [2,0,0,0,0,0|1,0,1]=4 279 B7R1.2 CC1=CSC(N)=C1 G-5634 [2,0,0,0,0,0|1,0,1]=4 280 B7R1.2 CC1=NC(Br)=CS1 L22293 [2,0,0,0,0,0|2,0,0]=4 281 B7R1.2 CC1=NNC(O)=C1 I-9200 [2,0,0,0,0,0|2,0,0]=4 282 B7R1.2 NC1=CSC(Br)=C1 L13953 [2,0,0,0,0,0|2,0,0]=4 283 B7R1.2 NC1=CSC(Br)=C1 O33601 [2,0,0,0,0,0|2,0,0]=4 284 B7R1.2 NC1=CSC(Cl)=C1 G-5064 [2,0,0,0,0,0|2,0,0]=4 285 B7R1.2 NC1=NC(O)=CS1 O29877 [2,0,0,0,0,0|2,0,0]=4 286 B7R1.2 OC1=NSC(Cl)=C1 K10877 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.21 C(=O)C1=CN(CC)N=C1 A-912 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.21 CCC1=CC=C(C=O)S1 Q68134 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.21 CSC1=CC(C=O)=CS1 N25995 [1,1,0,0,0,0|0,0,0]=2 290 B9R1.21 O=CC1=CC=C(CO)O1 P44673 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.22 CC1=CC(C)=C(C=O)N1 10741 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.22 CN1C=C(C=O)C(Br)=N1 Q57299 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.22 CN1C=C(C=O)C(F)=N1 Q60352 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.22 CN1C=C(C=O)C(N)=N1 Q52560 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.23 CC1=C(Br)C=C(C=O)S1 N24807 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.23 CC1=NC(C=O)=CN1C H-8650 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.132 C(=O)C1=C(C)C(C)=CN1 C-3630 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.132 CC1=C(C=O)C=NN1C O30574 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.11 COC(=O)C1=CC=CN1 G-7797 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.11 COC(=O)C1=CN=CO1 O30359 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.11 COC(=O)C1=CN=CS1 P48087 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.11 COC(=O)C1=CNN=C1 G-7338 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.11 COC(=O)C1=NNC=C1 P40994 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.11 NC(CO)C1=CSC=C1 P42431 [1,1,0,0,0,0|1,0,1]=4 305 B9R1.11 NNC(=O)C1=CSC=N1 O31923 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.11 O=C(CBr)C1=CSC=C1 O31908 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.11 O=C(CBr)C1=CSC=N1 O31047 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.41 CC1=C(B(O)O)C=CS1 N24828 [1,1,0,0,0,0|1,0,1]=4 309 B9R1.41 CC1=C(C(=O)O)N=CO1 O31842 [1,1,0,0,0,0|1,1,0]=4 310 B9R1.41 CC1=C(C(=O)O)N=CS1 10657 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.41 CC1=C(C(=O)O)NC=N1 L20560 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.41 CC1=CSC=C1B(O)O N24576 [1,1,0,0,0,0|1,0,1]=4 313 B9R1.41 CC1=CSC=C1C(=O)O L22411 [1,1,0,0,0,0|0,0,0]=2 314 B9R1.41 CN1C=NC=C1C(=O)O G-7569 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.41 CN1N=CC=C1C(=O)O G-5544 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.41 NC1=C(C(=O)O)C=CS1 P44611 [1,1,0,0,0,0|0,0,0]=2 317 B9R1.41 NC1=C(C(=O)O)C=NN1 A-808 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.41 NC1=NSN=C1C(=O)O Q54680 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.41 O=C(O)C1=C(Br)C=CS1 G-6768 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.41 O=C(O)C1=C(Br)N=CN1 H-8119 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.41 O=C(O)C1=C(Br)N=CS1 Q68781 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.41 O=C(O)C1=C(Br)SC=N1 O34437 [1,1,0,0,0,0|1,0,0]=3 323 B9R1.41 O=C(O)C1=C(Cl)C=CN1 H-8302 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.41 O=C(O)C1=CNN=C1Br Q61498 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.41 O=C(O)C1=CNNC1=O F-4837 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.41 O=C(O)C1=CSC=C1Br G-7938 [1,1,0,0,0,0|0,0,0]=2 327 B9R1.41 O=C(O)C1=NNC=C1F Q64164 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.41 OB(O)C1=C(Cl)SC=C1 P40462 [1,1,0,0,0,0|1,0,1]=4 329 B9R1.41 OB(O)C1=CSC=C1Br Q66380 [1,1,0,0,0,0|1,0,1]=4 330 B9R1.164 CC1(C)C=C(C(=O)O)C1 G-5685 [0,1,0,0,1,0|0,0,2]=4 331 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 O28118 [0,1,0,0,0,1|1,0,1]=4 332 B11R1.3 C#CC1=CC=C(C(=O)O)C=N1 Q53214 [0,1,0,0,0,1|1,0,1]=4 333 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 L20737 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 P36753 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.3 CCC1=CC=C(C(C)=O)C=N1 Q53712 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 P43454 [0,1,0,0,0,1|1,0,0]=3 337 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 Q60524 [0,1,0,0,0,1|1,0,0]=3 338 B11R1.3 COC1=CN=C(C(=O)O)C=C1 Q68348 [0,1,0,0,0,1|1,0,0]=3 339 B11R1.3 COC1=CN=C(C(=O)O)C=N1 O31701 [0,1,0,0,0,1|1,0,0]=3 340 B11R1.3 COC1=CN=C(C(=O)O)N=C1 Q52332 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.3 COC1=NC=C(C(=O)O)C=N1 Q67508 [0,1,0,0,0,1|1,0,0]=3 342 B11R1.3 COC1=NN=C(C(=O)O)C=C1 L22364 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.3 CSC1=NC=C(C(=O)O)C=C1 N24630 [0,1,0,0,0,1|1,0,0]=3 344 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 P43253 [0,1,0,0,0,1|1,0,1]=4 345 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 E-3027 [0,1,0,0,0,1|1,0,1]=4 346 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 G-6152 [0,1,0,0,0,1|1,0,1]=4 347 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 O28757 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 G-5405 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 P44354 [0,1,0,0,0,1|1,0,0]=3 350 B11R1.3 O=C(O)C1=CC=C(CS)C=C1 P38363 [0,1,0,0,0,1|1,0,0]=3 351 B11R1.3 O=CC1=CC=C(C(=O)O)C=N1 Q62284 [0,1,0,0,0,1|1,0,1]=4 352 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 Q60215 [0,1,0,0,0,1|1,0,1]=4 353 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 B-1765 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 B-1766 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 G-6636-1 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H-8848 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 L14045 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O32785 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P45972 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P48341 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P50560 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q54491 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q56087 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q56091 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q69557 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.21 CC(=O)C1=CC(Cl)=C(C)N=C1 O29923 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.21 CC1=C(Br)N=C(C(=O)O)C=C1 Q53116 [0,1,0,0,0,1|1,0,0]=3 368 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 Q60858 [0,1,0,0,0,1|1,0,0]=3 369 B11R1.21 CC1=C(O)C=C(C(=O)O)C=N1 Q60795 [0,1,0,0,0,1|1,0,0]=3 370 B11R1.21 CC1=C(O)N=CC(C(=O)O)=C1 L19518 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.21 CC1=CC(C(=O)O)=CN=C1Br Q66669 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q68802 [0,1,0,0,0,1|1,0,0]=3 373 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q69971 [0,1,0,0,0,1|1,0,0]=3 374 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl N25124 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.21 CC1=CC(C(=O)O)=CN=C1F Q66670 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br Q67785 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.21 CC1=CN=C(C(=O)O)C=C1C Q60799 [0,1,0,0,0,1|1,0,0]=3 378 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl Q52680 [0,1,0,0,0,1|1,0,0]=3 379 B11R1.21 CC1=CN=C(C(=O)O)C=C1N Q53529 [0,1,0,0,0,1|1,0,0]=3 380 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br Q67308 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.21 CC1=NC=C(C(=O)O)C=C1Br P51094 [0,1,0,0,0,1|1,0,0]=3 382 B11R1.21 CC1=NC=C(C(=O)O)C=C1N G-6537 [0,1,0,0,0,1|1,0,0]=3 383 B11R1.21 CN1C=C(C(=O)O)C=CC1=O G-5206 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.21 CN1C=CC(C(=O)O)=CC1=O C-2302 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.21 NC1=C(Br)N=C(C(=O)O)C=N1 C-2776 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.21 NC1=C(O)C=C(C(=O)O)C=N1 L19943 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 A-871 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.21 NC1=C(S)C=CC(C(=O)O)=C1 H-8774 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.21 NC1=CC(C(=O)O)=CC=C1S K16116 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.21 NC1=CC(C(=O)O)=NC=C1Br L13873 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 C-3764 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.21 O=C(O)C1=CC(F)=C(Cl)N=C1 O31712 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 P37038 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 K13440 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 L13055 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 O31936 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 O33279 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 L18290 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.21 O=C(O)C1=NC(F)=C(F)C=C1 F-4046 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 Q60811 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 Q65591 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.21 O=C(O)C1=NC=C(Cl)C(Cl)=C1 Q60752 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 P40808 [0,1,0,0,0,1|1,0,1]=4 404 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 P40085 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.22 CC1=NC=C(C(=O)CBr)C=C1 Q52597 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 C-3212 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.22 COC(=O)C1=CC=C(N)C=N1 C-2286 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.22 COC(=O)C1=CC=C(S)N=C1 H-8392 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 Q64835 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.22 COC(=O)C1=CN=C(C)N=C1 L13555 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 C-2772 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.22 COC(=O)C1=CN=C(F)C=C1 Q66489 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.22 COC(=O)C1=CN=C(N)C=N1 C-3306 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.22 COC(=O)C1=CN=C(O)C=C1 G-5577 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.22 COC(=O)C1=NC=C(C)C=N1 G-5731 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 G-5538 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.22 COC(=O)C1=NC=C(F)C=C1 Q54927 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.22 COC(=O)C1=NC=C(N)N=C1 O31116 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.22 COC(=O)C1=NC=C(O)C=C1 G-5601 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 O31353 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.166 CC(=O)C1=CC=C(C)C=C1Br P42929 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.166 CC1=CC(=O)NC=C1C(=O)O Q57090 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O N26124 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O N25656 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 Q60789 [0,1,0,0,0,1|1,0,0]=3 427 B11R1.166 CC1=CC(F)=NC=C1C(=O)O Q67322 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.166 CC1=CC(O)=CN=C1C(=O)O Q60879 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.166 CC1=CC=C(C(=O)O)C(N)=N1 L13612 [0,1,0,0,0,1|1,0,0]=3 430 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 O31836 [0,1,0,0,0,1|1,0,0]=3 431 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 O31096 [0,1,0,0,0,1|1,0,0]=3 432 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 I-9719 [0,1,0,0,0,1|1,0,0]=3 433 B11R1.166 CC1=CN=C(C(=O)O)C(O)=N1 K12278 [0,1,0,0,0,1|1,0,0]=3 434 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 O31639 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.166 CC1=NC(Br)=C(C(=O)O)C=N1 H-8399 [0,1,0,0,0,1|1,0,0]=3 436 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O N26103 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 P51309 [0,1,0,0,0,1|1,0,0]=3 438 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 Q60943 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)O N25033 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.166 CC1=NC(Cl)=NC=C1C(=O)O O30245 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.166 CC1=NC(F)=C(C(=O)O)C=C1 N24616 [0,1,0,0,0,1|1,0,0]=3 442 B11R1.166 CC1=NC(F)=CC=C1C(=O)O Q67993 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.166 CC1=NC(N)=NC=C1C(=O)O O30878 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.166 CC1=NC(O)=CC=C1C(=O)O Q52564 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.166 CC1=NC=C(C(=O)O)C(C)=N1 O34423 [0,1,0,0,0,1|1,0,0]=3 446 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 M15159 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 H-8401 [0,1,0,0,0,1|1,0,0]=3 448 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O C-2276 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6102 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6103 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.166 NC1=CC(Cl)=NC=C1C(=O)O I-9422 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.166 NC1=CC(F)=C(C(=O)O)N=C1 Q55031 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.166 NC1=CC(F)=CN=C1C(=O)O O33092 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.166 NC1=CC(F)=NC=C1C(=O)O G-7587 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.166 NC1=CC(I)=CC=C1C(=O)O O32287 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.166 NC1=CC=C(C(=O)O)C(Br)=N1 Q64646 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.166 NC1=NC(Cl)=CC=C1C(=O)O C-2357 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.166 NC1=NC(O)=CC=C1C(=O)O L19692 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 F-4417 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 Q60904 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 G-6764 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=N1 Q60786 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Br P37092 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br Q51864 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Cl N26004 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1F O30248 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.166 O=C(O)C1=CC=C(F)C=C1O M22934 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.166 O=C(O)C1=CC=C(I)C=C1F P43484 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl Q66502 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl O32638 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.166 O=C(O)C1=CN=C(Br)C=C1I Q52323 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1I N27822 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.166 O=C(O)C1=CN=C(O)N=C1O G-7724 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl Q68112 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F G-7561 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br Q67790 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F O30677 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl I-9428 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl O31562 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.166 O=C(O)C1=NC=C(O)C=C1F O29407 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.39 COC(=O)CC1=CN(C)N=C1 L18255 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.39 COC(=O)CC1=NNC(C)=C1 P44195 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.314 CC1=CC=C(C(N)C(=O)O)S1 O28750 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.314 CN1C=C(C(N)C(=O)O)C=N1 Q63755 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.314 CN1C=C(C(O)C(=O)O)C=N1 Q60723 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.314 CN1C=C([C@@H](N)C(=O)O)C=N1 Q63756 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.314 CN1C=C([C@H](N)C(=O)O)C=N1 Q63757 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 L22311 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.23 CC1=CC(C(=O)CBr)=CC=C1 O28559 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.23 CC1=CN=CC(C(=O)NN)=C1 O30082 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.23 COC(=O)C1=CC(C)=CN=C1 Q66697 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.23 COC(=O)C1=CC(C)=CN=N1 L22161 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 G-7304 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.23 COC(=O)C1=CC(F)=CN=C1 C-2951 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.23 COC(=O)C1=CC(N)=NC=N1 I-9515 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.23 COC(=O)C1=CC(O)=CN=C1 P45785 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 Q66806 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 E-3030 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.23 COC(=O)C1=NC=CC(C)=C1 M15778 [0,1,0,0,0,1|1,0,0]=3 500 B11R1.23 COC(=O)C1=NC=CC(C)=N1 L14173 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.23 COC(=O)C1=NC=CC(F)=C1 L22462 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.23 COC(=O)C1=NC=CC(N)=C1 G-6744 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.23 COC(=O)C1=NC=CC(N)=C1 M23610 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P44278 [0,1,0,0,0,1|1,0,0]=3 505 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 L14015 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 P43442 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=C1 P37229 [0,1,0,0,0,1|1,0,0]=3 508 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 O31676 [0,1,0,0,0,1|1,0,0]=3 509 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 G-6688 [0,1,0,0,0,1|1,0,0]=3 510 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 O31886 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.74 CC1=CC(C(=O)O)=NC(O)=C1 Q60690 [0,1,0,0,0,1|1,0,0]=3 512 B11R1.74 CC1=CC(C)=NC(C(=O)O)=C1 Q60526 [0,1,0,0,0,1|1,0,0]=3 513 B11R1.74 CC1=CC(C)=NC(C(=O)O)=N1 Q65314 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 O32304 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.74 CC1=NC(O)=CC(C(=O)O)=N1 P51502 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.74 NC1=CC(C(=O)O)=NC(Br)=C1 Q53661 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.74 NC1=NC(Br)=CC(C(=O)O)=N1 Q53410 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.74 NC1=NC(Cl)=CC(C(=O)O)=N1 Q53411 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.74 NC1=NC(O)=CC(C(=O)O)=N1 M15195 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 G-6615 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 Q67862 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 Q62337 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 O30874 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.74 O=C(O)C1=NC(F)=CC(Cl)=C1 Q62427 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.74 O=C(O)C1=NC(F)=CC(F)=C1 Q62424 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 M23816 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O P49354 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.159 CC1=C(C(=O)O)C=CN=C1F N26427 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.159 CC1=C(C(=O)O)C=NC=C1Br N25194 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.159 CC1=C(C(=O)O)C=NC=C1Cl Q60529 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.159 CC1=C(C(=O)O)C=NC=C1F Q60749 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.159 CC1=C(C)C(C(=O)O)=CC=N1 Q60787 [0,1,0,0,0,1|1,0,0]=3 533 B11R1.159 CC1=C(F)C(C(=O)O)=CC=C1 Q67898 [0,1,0,0,0,1|1,0,0]=3 534 B11R1.159 CC1=C(N)C(C(N)=O)=CC=C1 O30695 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.159 CC1=NC=CC(C(=O)O)=C1N Q64766 [0,1,0,0,0,1|1,0,0]=3 536 B11R1.159 CC1=NC=NC(C(=O)O)=C1C Q60491 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.159 CN1C=CC=C(C(=O)O)C1=O G-7544 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O L14675 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl O31474 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.159 NC1=C(F)C(C(=O)O)=CC=C1 P35150 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.159 NC1=C(I)C=CC=C1C(=O)O O32276 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.159 NC1=NC=CC(C(=O)O)=C1N Q58195 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.159 O=C(O)C1=C(Br)C(Cl)=NC=C1 O29217 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CN=C1 N26393 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 Q66969 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.159 O=C(O)C1=C(Cl)C(F)=CN=C1 N26255 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.159 O=C(O)C1=C(Cl)C(F)=NC=C1 Q66538 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 E-3012 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 N24320 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.159 O=C(O)C1=CC=CC(Br)=C1O P51774 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O Q66616 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.159 O=C(O)C1=CC=CC(I)=C1F Q67650 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.159 O=C(O)C1=CC=NC(F)=C1F F-4045 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl S72554 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.159 O=C(O)C1=NC=NC(Cl)=C1F Q53531 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.167 CC(=O)C1=CC(C)=CC=C1Br O29725 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N26923 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 P43289 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 Q60931 [0,1,0,0,0,1|1,0,0]=3 560 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 Q60684 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 Q60686 [0,1,0,0,0,1|1,0,0]=3 562 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 Q51924 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.167 CC1=CC=C(F)C(C(=O)O)=N1 O30076 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.167 CC1=CC=C(I)C=C1C(=O)O P43248 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 L22360 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.167 CC1=CC=C(N)C=C1C(=O)O P43309 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 N24563 [0,1,0,0,0,1|1,0,0]=3 568 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 N25261 [0,1,0,0,0,1|1,0,0]=3 569 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 L18300 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 Q60885 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.167 CC1=NC=C(Cl)C(C(=O)O)=N1 G-7847 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.167 CC1=NC=C(N)C(C(=O)O)=C1 G-5635 [0,1,0,0,0,1|1,0,0]=3 573 B11R1.167 CC1=NC=C(N)C=C1C(=O)O Q58346 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 O30799 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 O30885 [0,1,0,0,0,1|1,0,0]=3 576 B11R1.167 NC1=C(C(=O)O)C=C(Cl)N=C1 C-3440 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.167 NC1=C(C(=O)O)C=C(F)N=C1 L22147 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 G-6804 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.167 NC1=NC=C(F)C=C1C(=O)O L18306 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 Q66324 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 Q67587 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 C-3726 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.167 O=C(O)C1=C(F)C=NC(Cl)=C1 Q67957 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl C-3392 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O C-3696 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Br Q67187 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl L22357 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.167 O=C(O)C1=CC(Br)=NC=C1F K12095 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F E-3037 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl E-3057 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br O31572 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl C-3699 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.167 O=C(O)C1=CC(F)=CN=C1F Q62473 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.167 O=C(O)C1=CC(F)=NC=C1Br N26408 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.167 O=C(O)C1=CC(F)=NC=C1F H-8387 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 O28043 [0,1,0,0,0,1|1,0,1]=4 597 B11R1.266 C=CC1=CC(C(=O)O)=CC=C1 P39070 [0,1,0,0,0,1|1,0,1]=4 598 B11R1.266 CCC1=CC(C(=O)O)=CC=C1 P37036 [0,1,0,0,0,1|1,0,0]=3 599 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 Q60534 [0,1,0,0,0,1|1,0,0]=3 600 B11R1.266 CCC1=NC(C(=O)O)=CC=C1 Q60685 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.266 CNC1=CC(C(=O)O)=CC=C1 P37710 [0,1,0,0,0,1|1,0,0]=3 602 B11R1.266 COC1=CC(C(=O)O)=CN=C1 Q67568 [0,1,0,0,0,1|1,0,0]=3 603 B11R1.266 COC1=CC(C(C)=O)=NC=C1 O30173 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.266 COC1=CC=CC(C(=O)O)=N1 P39197 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.266 COC1=NC(C(=O)O)=CC=N1 Q62605 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.266 COC1=NC(C(=O)O)=NC=C1 Q60646 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.266 COC1=NC=CC(C(C)=O)=C1 O30294 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.266 COC1=NN=CC(C(=O)O)=C1 L14279 [0,1,0,0,0,1|1,0,0]=3 609 B11R1.266 CSC1=CN=CC(C(=O)O)=C1 N26072 [0,1,0,0,0,1|1,0,0]=3 610 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 O31274 [0,1,0,0,0,1|1,0,1]=4 611 B11R1.266 NC(=O)C1=CC(CBr)=CN=C1 Q66568 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 10633 [0,1,0,0,0,1|1,0,0]=3 613 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 O28911 [0,1,0,0,0,1|1,0,0]=3 614 B11R1.266 NCC1=CC(C(N)=O)=CC=C1 O28730 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.266 NCC1=CC(C(N)=O)=NC=C1 Q62435 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.266 NNC1=CC(C(=O)O)=NC=C1 Q62382 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 Q60757 [0,1,0,0,0,1|1,0,0]=3 618 B11R1.266 O=C(O)C1=CC=CC(CS)=C1 P39077 [0,1,0,0,0,1|1,0,0]=3 619 B11R1.15 CCOC(=O)C1=CN(C)N=C1 G-6464 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 O31860 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.44 COC(=O)C1=COC(CCl)=N1 O31871 [0,2,0,0,0,0|1,1,0]=4 622 B11R1.44 COC(=O)C1=NOC(CBr)=C1 Q69951 [0,2,0,0,0,0|1,1,0]=4 623 B11R1.225 COC(=O)C1=C(Br)C=C(C)S1 O31669 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.225 COC(=O)C1=C(Br)SC(C)=C1 O30544 [0,2,0,0,0,0|0,0,0]=2 625 B11R1.225 COC(=O)C1=C(Br)SC(C)=N1 O30510 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.225 COC(=O)C1=C(C)SC(Br)=C1 O30987 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.225 COC(=O)C1=C(C)SC(Br)=N1 O30432 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.225 COC(=O)C1=C(C)SC(N)=N1 O30877 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.225 COC(=O)C1=C(Cl)SC(Br)=N1 O31803 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.48 COC1=CC(C(=O)O)=NN1C A-685 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 A-684 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.124 CCCC1=CC=C(C(=O)O)S1 N25667 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.124 CCOC1=CSC(C(=O)O)=C1 O29611 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.124 COCC1=CC(C(=O)O)=NN1 Q60636 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.124 COCC1=CC=C(C(=O)O)S1 N25374 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.124 O=C(O)C1=CN(CCF)N=C1 Q55030 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.124 O=C(O)C1=CN(CCO)N=C1 H-8574 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.175 CC(=O)C1=CC(B(O)O)=CS1 N25947 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.175 CC(=O)C1=CC(C(=O)O)=NN1 Q62839 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.175 CC(C)C1=CC=C(C(=O)O)O1 M15467 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 F-4782 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.175 O=C(O)C1=CC=C(C(F)F)S1 O29271 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.175 O=C(O)C1=CN(C(F)F)N=C1 Q60848 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.473 CCC1=C(C)C(C(=O)O)=NN1 S72590 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.473 CCC1=C(Cl)C(C(=O)O)=NN1 Q60584 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.473 CCN1N=CC(C(=O)O)=C1F Q60652 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.473 COC1=NNC(C(=O)O)=C1C Q60622 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.473 COC1=NNC(C(=O)O)=C1Cl Q60642 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.49 CCC1=NN(C)C=C1C(=O)O O29993 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.673 CC1=C(C)C(C(=O)O)=C(I)S1 O32021 [0,2,0,0,0,0|0,0,0]=2 651 B11R1.673 CC1=NN(C)C(F)=C1C(=O)O Q60653 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.64 CCC1=C(C)NN=C1C(=O)O Q60633 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.64 COC1=C(C(=O)O)C=NN1C Q60635 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [0,0,1,1,0,0|2,0,0]=4 655 B9R1.2 C(=O)C1=CC=NC(Cl)=C1 C-3314 [1,0,0,0,0,1|2,0,0]=4 656 B9R1.2 C=CC1=CN=CC(C)=C1 O31501 [1,0,0,0,0,1|2,0,0]=4 657 B9R1.2 CC1=CC(C=O)=NC=C1 O31911 [1,0,0,0,0,1|1,0,0]=3 658 B9R1.2 CC1=CC(C=O)=NC=N1 Q60298 [1,0,0,0,0,1|1,0,0]=3 659 B9R1.2 CC1=CC=NC(C=O)=N1 P44430 [1,0,0,0,0,1|2,0,0]=4 660 B9R1.2 CC1=CN=CC(C=O)=C1 M15605 [1,0,0,0,0,1|1,0,0]=3 661 B9R1.2 CC1=CN=CC(CO)=C1 I-9425 [1,0,0,0,0,1|1,0,1]=4 662 B9R1.2 CC1=NC=CC(CO)=C1 O30864 [1,0,0,0,0,1|1,0,1]=4 663 B9R1.2 CC1=NC=NC(CO)=C1 G-7256 [1,0,0,0,0,1|1,0,1]=4 664 B9R1.2 NC1=CC(C=O)=CC=C1 O30581 [1,0,0,0,0,1|2,0,0]=4 665 B9R1.2 NC1=NC=CC(C=O)=C1 G-5572 [1,0,0,0,0,1|2,0,0]=4 666 B9R1.2 O=CC1=CC(Cl)=CN=C1 L21834 [1,0,0,0,0,1|2,0,0]=4 667 B9R1.2 O=CC1=CC(Cl)=NC=N1 Q52806 [1,0,0,0,0,1|2,0,0]=4 668 B9R1.2 O=CC1=CC(F)=CN=C1 C-3502 [1,0,0,0,0,1|2,0,0]=4 669 B9R1.2 O=CC1=CC(F)=NC=C1 Q66309 [1,0,0,0,0,1|2,0,0]=4 670 B9R1.2 O=CC1=CC(O)=CN=C1 O31574 [1,0,0,0,0,1|2,0,0]=4 671 B9R1.2 O=CC1=NC=CC(Cl)=C1 G-5341 [1,0,0,0,0,1|2,0,0]=4 672 B9R1.2 O=CC1=NC=CC(F)=C1 Q56665 [1,0,0,0,0,1|2,0,0]=4 673 B9R1.2 O=CC1=NC=CC(O)=C1 Q53140 [1,0,0,0,0,1|2,0,0]=4 674 B9R1.2 O=CC1=NC=NC(O)=C1 S72508 [1,0,0,0,0,1|2,0,0]=4 675 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [1,0,0,0,0,1|2,0,0]=4 676 B9R1.13 O=C(O)CC1=CC=NN1 O29915 [1,0,0,0,0,1|2,0,0]=4 677 B9R1.13 O=C(O)CC1=CNC=N1 H-8782 [1,0,0,0,0,1|2,0,0]=4 678 B9R1.13 O=C(O)CC1=CNN=C1 Q60477 [1,0,0,0,0,1|2,0,0]=4 679 B9R1.13 O=C(O)CC1=CSC=N1 O30547 [1,0,0,0,0,1|1,0,0]=3 680 B9R1.13 O=C(O)CC1=NNC=C1 P51092 [1,0,0,0,0,1|2,0,0]=4 681 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 Q62419 [0,0,0,0,0,2|2,0,0]=4 682 B11R1.20 O=C(O)CC1=CC=C(Br)N=C1 P38230 [0,0,0,0,0,2|2,0,0]=4 683 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 I-9943 [0,0,0,0,0,2|2,0,0]=4 684 B11R1.20 O=C(O)CC1=CC=C(I)C=N1 P49243 [0,0,0,0,0,2|2,0,0]=4 685 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 L13539 [0,0,0,0,0,2|2,0,0]=4 686 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 Q52525 [0,0,0,0,0,2|2,0,0]=4 687 B11R1.75 CN1C=C(OCC(=O)O)C=N1 Q60656 [0,0,0,0,0,2|2,0,0]=4 688 B11R1.75 NC1=NC(CCC(=O)O)=CS1 L20919 [0,0,0,0,0,2|2,0,0]=4 689 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 L21790 [0,0,0,0,0,2|1,0,0]=3 690 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 Q60602 [0,0,0,0,0,2|1,0,0]=3 691 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 M15842 [0,0,0,0,0,2|2,0,0]=4 692 B11R1.157 CC1=CC=NC(CC(=O)O)=C1 Q52544 [0,0,0,0,0,2|1,0,0]=3 693 B11R1.157 CC1=NC=CC(CC(=O)O)=C1 Q52656 [0,0,0,0,0,2|1,0,0]=3 694 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 C-3500 [0,0,0,0,0,2|2,0,0]=4 695 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 Q60753 [0,0,0,0,0,2|2,0,0]=4 696 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 Q60777 [0,0,0,0,0,2|2,0,0]=4