0 B9R1.35 CC(=O)C1=CSC(Br)=C1 W7213 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC(=O)C1=CSC(C)=N1 7831AD [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 CC(=O)C1=CSC(Cl)=C1 Z0709 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 CC(=O)C1=CSC(N)=N1 X8554 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(=O)C1=NC(C)=CS1 0755AQ [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=NC=C(C)S1 Y9563 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(=O)C1=NOC(C)=C1 1733AB [0,0,0,0,0,0|2,1,0]=3 7 B9R1.35 CC1=CC(B(O)O)=NN1 Z3921 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [0,0,0,0,0,0|0,1,0]=1 9 B9R1.35 CC1=CC(C(=O)O)=CS1 Y8110 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.35 CC1=CC(C(N)=O)=NO1 W5607 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.35 CC1=CN=C(C(=O)O)S1 X0108 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC1=CSC(C(=O)O)=C1 Z0185 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 CC1=CSC(C(=O)O)=N1 X0105 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 CC1=CSC(C(N)=O)=C1 Y4172 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 CC1=NC(C(=O)O)=CN1 W3181 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 CC1=NC(C(=O)O)=CO1 W4681 [0,0,0,0,0,0|1,1,0]=2 17 B9R1.35 CC1=NC(C(=O)O)=CS1 W5694 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.35 CC1=NC(C(=O)O)=NO1 6632AD [0,0,0,0,0,0|2,1,0]=3 19 B9R1.35 CC1=NC(C(=O)[O-])=NO1 0567AB [0,0,0,0,0,0|2,1,1]=4 20 B9R1.35 CC1=NC=C(C(=O)O)O1 Y5240 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 CC1=NN=C(C(=O)[O-])O1 X4799 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.35 CN1C=CC(C(=O)O)=C1 W5804 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.35 CN1C=CC(C(N)=O)=N1 4721AC [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 CN1C=NC(C(N)=O)=C1 X9760 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 NC(=O)C1=CC(Br)=CN1 V4097 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.35 NC(=O)C1=CC(Br)=CO1 6539AC [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 NC(=O)C1=CC(Br)=CS1 V7917 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 NC(=O)C1=CC=C(Br)O1 6684AE [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 NC(=O)C1=CC=C(Br)S1 Z2951 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 NC(=O)C1=CC=C(Cl)S1 7651AD [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 NC(=O)C1=CN=C(Br)S1 W8754 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.35 NC(=O)C1=CSC(Br)=N1 3082AC [0,0,0,0,0,0|3,0,0]=3 33 B9R1.35 NC1=NNC(C(=O)O)=C1 4542AA [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 NC1=NNC(C(=O)O)=N1 9452AJ [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 O=C(O)C1=CC(Br)=CO1 Z4623 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 O=C(O)C1=CC(Br)=NO1 W7690 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 O=C(O)C1=CC=C(F)S1 W6292 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.35 O=C(O)C1=CC=C(I)S1 8970AB [0,0,0,0,0,0|3,0,0]=3 39 B9R1.35 O=C(O)C1=COC(Br)=C1 5491AJ [0,0,0,0,0,0|1,1,0]=2 40 B9R1.35 O=C(O)C1=COC(Br)=N1 Z3924 [0,0,0,0,0,0|2,1,0]=3 41 B9R1.35 O=C(O)C1=CSC(Br)=N1 W6688 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.35 O=C(O)C1=CSC(Cl)=C1 W5762 [0,0,0,0,0,0|1,0,0]=1 43 B9R1.35 O=C(O)C1=CSC(Cl)=N1 W6687 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.35 O=C(O)C1=NC=C(Br)S1 Y4853 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.35 O=C(O)C1=NNC(Br)=C1 6022AA [0,0,0,0,0,0|3,0,0]=3 46 B9R1.35 O=C(O)C1=NNC(Br)=N1 W7790 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.35 O=C(O)C1=NNC(Cl)=C1 Y4463 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.35 O=C(O)C1=NNC(Cl)=N1 W4502 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.35 O=C(O)C1=NNC(O)=C1 4841AC [0,0,0,0,0,0|3,0,0]=3 50 B9R1.35 O=C1NC=C(C(=O)O)N1 V5719 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.1 CC1=CC(CO)=NO1 W5683 [1,0,0,0,0,0|1,1,1]=4 52 B8R1.1 CC1=CC=C(CO)O1 Y8951 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.1 CC1=CN=C(C=O)N1 9102AC [1,0,0,0,0,0|3,0,0]=4 54 B8R1.1 CC1=CSC(C=O)=C1 Y9589 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.1 CC1=CSC(C=O)=N1 Y7472 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.1 CC1=CSC(CO)=C1 Y9977 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.1 CC1=NC(C#N)=CS1 W4524 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.1 CC1=NC(C=O)=CO1 Y5199 [1,0,0,0,0,0|1,1,0]=3 59 B8R1.1 CC1=NC(C=O)=CS1 W4388 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.1 CC1=NC(CBr)=CS1 Y9993 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.1 CC1=NC(CN)=CS1 Y6880 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.1 CC1=NC(CO)=CS1 Y4033 [1,0,0,0,0,0|1,0,1]=3 63 B8R1.1 CC1=NC=C(C=O)S1 X8494 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.1 CC1=NC=C(CO)S1 8183AB [1,0,0,0,0,0|2,0,1]=4 65 B8R1.1 CC1=NOC(CO)=C1 Y7569 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.1 CN1C=C(CO)C=N1 X8991 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.1 CN1C=NC(C=O)=C1 Y7820 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.1 NC1=NC(C=O)=CS1 6851AC [1,0,0,0,0,0|2,0,0]=3 69 B8R1.1 NC1=NC=C(C=O)S1 Z5346 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.1 O=CC1=CC(I)=CN1 Y8757 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.1 O=CC1=CC(I)=CS1 9807AA [1,0,0,0,0,0|3,0,0]=4 72 B8R1.1 O=CC1=CC=C(Br)N1 5759AC [1,0,0,0,0,0|3,0,0]=4 73 B8R1.1 O=CC1=CC=C(Cl)O1 9756AL [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 O=CC1=CC=C(I)O1 F087 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.1 O=CC1=CSC(Br)=C1 9797AA [1,0,0,0,0,0|1,0,0]=2 76 B8R1.1 O=CC1=CSC(Br)=N1 W6685 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.1 O=CC1=CSC(Cl)=C1 4568AB [1,0,0,0,0,0|1,0,0]=2 78 B8R1.1 O=CC1=CSC(Cl)=N1 W6684 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.1 OCC1=CSC(Br)=N1 W6686 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.7 CC(=O)C1=CNC=N1 9304AB [1,0,0,0,0,0|3,0,0]=4 81 B8R1.7 CC(=O)C1=CNN=C1 1947AB [1,0,0,0,0,0|3,0,0]=4 82 B8R1.7 CC(=O)C1=CSC=N1 W5893 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.7 CC(C)=C1C=CC=C1 1050AB [1,0,0,0,0,0|3,0,0]=4 84 B8R1.7 N1N=CC(C(=O)O)=N1 Y1161 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.7 NC(=O)C1=CC=CS1 X6987 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.7 NC(=O)C1=CN=CS1 Y5540 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.7 O=C(O)C1=CC=CN1 Q622 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.7 O=C(O)C1=CC=NS1 0659AA [1,0,0,0,0,0|2,0,0]=3 89 B8R1.7 O=C(O)C1=CN=CO1 X4661 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.7 O=C(O)C1=CSN=C1 Z5157 [1,0,0,0,0,0|1,0,0]=2 91 B8R1.7 O=C(O)[C@@H]1C=CCN1 W4258 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.7 O=C([O-])C1=CC=CS1 Z2610 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.14 CC1=CC=C(C(=O)NN)S1 3405AD [0,1,0,0,0,0|3,0,0]=4 94 B10R1.14 CC1=NC(C(=O)NN)=CS1 X0192 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.14 CCC(=O)C1=CC=C(C)O1 Z5437 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.14 CNC(=O)C1=CSC(Br)=N1 Z7252 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.14 COC(=O)C1=CC(=O)CC1 X3410 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.14 COC(=O)C1=CC(Br)=CS1 Y6331 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.14 COC(=O)C1=CC(C)=CS1 9170AD [0,1,0,0,0,0|2,0,0]=3 100 B10R1.14 COC(=O)C1=CC(Cl)=CS1 4042AC [0,1,0,0,0,0|3,0,0]=4 101 B10R1.14 COC(=O)C1=CC(I)=CN1 5541AB [0,1,0,0,0,0|3,0,0]=4 102 B10R1.14 COC(=O)C1=CC(N)=CS1 W9240 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.14 COC(=O)C1=CC=C(Br)S1 W7425 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.14 COC(=O)C1=CC=C(C)N1 3341AA [0,1,0,0,0,0|2,0,0]=3 105 B10R1.14 COC(=O)C1=CC=C(Cl)S1 3840AH [0,1,0,0,0,0|3,0,0]=4 106 B10R1.14 COC(=O)C1=CC=C(N)S1 7224AA [0,1,0,0,0,0|3,0,0]=4 107 B10R1.14 COC(=O)C1=CN(C)N=C1 8860AB [0,1,0,0,0,0|2,0,0]=3 108 B10R1.14 COC(=O)C1=CN=C(C)O1 Y9732 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.14 COC(=O)C1=CN=C(C)S1 Y5463 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.14 COC(=O)C1=CN=C(Cl)S1 W8118 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.14 COC(=O)C1=CN=C(N)O1 Y5663 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.14 COC(=O)C1=CNC(=O)N1 0686AB [0,1,0,0,0,0|3,0,0]=4 113 B10R1.14 COC(=O)C1=CNC(Br)=C1 8344AA [0,1,0,0,0,0|2,0,0]=3 114 B10R1.14 COC(=O)C1=COC(Br)=N1 Y5183 [0,1,0,0,0,0|2,1,0]=4 115 B10R1.14 COC(=O)C1=COC(C)=C1 4402AB [0,1,0,0,0,0|0,1,0]=2 116 B10R1.14 COC(=O)C1=COC(Cl)=N1 Z5360 [0,1,0,0,0,0|2,1,0]=4 117 B10R1.14 COC(=O)C1=COC(N)=N1 Z6225 [0,1,0,0,0,0|2,1,0]=4 118 B10R1.14 COC(=O)C1=CSC(C)=C1 4622AC [0,1,0,0,0,0|0,0,0]=1 119 B10R1.14 COC(=O)C1=CSC(C)=N1 V7092 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.14 COC(=O)C1=CSC(Cl)=C1 0109AP [0,1,0,0,0,0|1,0,0]=2 121 B10R1.14 COC(=O)C1=NC(C)=CS1 W3177 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.14 COC(=O)C1=NC=C(C)S1 W8488 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.14 COC(=O)C1=NN(C)C=C1 9356AA [0,1,0,0,0,0|3,0,0]=4 124 B10R1.14 COC(=O)C1=NNC(Br)=C1 Z4091 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.14 COC(=O)C1=NNC(N)=C1 W7526 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.14 COC(=O)C1=NNC(O)=C1 0488AA [0,1,0,0,0,0|3,0,0]=4 127 B10R1.31 CCN1C=C(C(=O)O)C=N1 5317AB [0,1,0,0,0,0|2,0,0]=3 128 B10R1.31 COC1=CC=C(C(=O)O)S1 6376AJ [0,1,0,0,0,0|2,0,0]=3 129 B10R1.31 COC1=CN=C(C(=O)O)O1 X5064 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.31 CSC1=NC(C(=O)O)=CS1 2804AF [0,1,0,0,0,0|1,0,0]=2 131 B10R1.31 N#CC1=CSC(C(=O)O)=C1 2708AL [0,1,0,0,0,0|2,0,1]=4 132 B10R1.31 NCC1=CC=C(C(=O)O)O1 3626AF [0,1,0,0,0,0|2,0,0]=3 133 B10R1.31 O=C(O)C1=CC(CO)=CS1 6990AA [0,1,0,0,0,0|2,0,0]=3 134 B10R1.31 O=CC1=CC(B(O)O)=CS1 V1893 [0,1,0,0,0,0|1,0,2]=4 135 B10R1.31 O=CC1=CC=C(C(=O)O)N1 1060AC [0,1,0,0,0,0|2,0,1]=4 136 B10R1.31 O=CC1=CC=C(C(=O)O)S1 Z2524 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.31 OCC1=CC(B(O)O)=CS1 4769AJ [0,1,0,0,0,0|1,0,1]=3 138 B10R1.58 CC1=C(Br)SC(C(=O)O)=C1 7966AB [0,1,0,0,0,0|2,0,0]=3 139 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 5554AB [0,1,0,0,0,0|2,0,0]=3 140 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 9829AE [0,1,0,0,0,0|3,0,0]=4 141 B10R1.58 CC1=CC(C(N)=O)=NN1C Z2263 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 Z5296 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 W5325 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 Z3958 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 X6375 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 W7822 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.59 CC1=CC(B(O)O)=C(C)S1 V3631 [0,1,0,0,0,0|1,0,1]=3 148 B10R1.59 CC1=CC(C(N)=O)=C(N)S1 4696AE [0,1,0,0,0,0|1,0,0]=2 149 B10R1.59 CC1=CN(C)N=C1C(=O)O 4727AC [0,1,0,0,0,0|3,0,0]=4 150 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 Y8355 [0,1,0,0,0,0|1,1,0]=3 151 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 X9953 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 X6325 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.59 CN1C=C(Br)C=C1C(=O)O Z5238 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 W8727 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 0214AC [0,1,0,0,0,0|3,0,0]=4 156 B10R1.59 O=C(O)C1=C(Br)SC(Br)=N1 6125AC [0,1,0,0,0,0|2,0,0]=3 157 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 W7409 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=N1 X9703 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.194 CC1=C(C(=O)O)N=CN1C 2517AC [0,1,0,0,0,0|3,0,0]=4 160 B10R1.194 CC1=CNC(C(=O)O)=C1C 4880AC [0,1,0,0,0,0|2,0,0]=3 161 B10R1.194 CC1=CSC(C(=O)O)=C1C 4849AC [0,1,0,0,0,0|2,0,0]=3 162 B10R1.194 CC1=NNC(C(=O)O)=C1C W9260 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.194 CN1C(Br)=CC=C1C(=O)O W8889 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.194 CN1N=CC(C(=O)O)=C1Br 5307AE [0,1,0,0,0,0|2,0,0]=3 165 B10R1.194 CN1N=CC(C(=O)O)=C1Cl 7841AB [0,1,0,0,0,0|2,0,0]=3 166 B10R1.194 CN1N=CC(C(=O)O)=C1N W6108 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.194 CN1N=CC(C(N)=O)=C1N Y8052 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.194 O=C(O)C1=C(Br)C(Br)=CS1 V7521 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.8 CCC\C=C(/C)C(=O)O 5705AL [0,0,1,0,0,0|1,0,2]=4 170 B8R0.28 CC(=O)\C=C\C=C(C)C 8087AA [0,0,1,0,0,0|2,0,1]=4 171 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [0,0,1,0,0,0|3,0,0]=4 172 B10R1.13 CC(=O)C1=CC=C(C)C=N1 7521AB [0,0,0,0,0,1|2,0,0]=3 173 B10R1.13 CC(=O)C1=CC=C(F)N=C1 W8700 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 Z5392 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 W3479 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.13 CC(=O)C1=NC=C(F)C=C1 V9103 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.13 CC(=O)C1=NC=C(O)C=C1 0360AC [0,0,0,0,0,1|3,0,0]=4 179 B10R1.13 CC1=CC=C(C(=N)N)C=C1 2887AJ [0,0,0,0,0,1|3,0,0]=4 180 B10R1.13 CC1=CC=C(S(=O)O)C=C1 7653AB [0,0,0,0,0,1|2,0,0]=3 181 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 7866AF [0,0,0,0,0,1|2,0,1]=4 182 B10R1.13 CC1=CCC(C(=O)O)CC1 6606AL [0,0,0,0,0,1|1,0,2]=4 183 B10R1.13 CC1=CN=C(C(=O)O)C=C1 9308AA [0,0,0,0,0,1|1,0,0]=2 184 B10R1.13 CC1=CN=C(C(=O)O)N=C1 Z5426 [0,0,0,0,0,1|2,0,0]=3 185 B10R1.13 CC1=CN=C(C(N)=O)C=N1 X0289 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.13 CC1=NC=C(B(O)O)C=N1 X7937 [0,0,0,0,0,1|2,0,1]=4 187 B10R1.13 CC1=NC=C(C(C)O)C=C1 0117AA [0,0,0,0,0,1|2,0,1]=4 188 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 W4430 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.13 NC(=O)C1=NC=C(F)C=C1 6778AB [0,0,0,0,0,1|3,0,0]=4 190 B10R1.13 NC(=O)C1=NC=C(N)C=C1 W3172 [0,0,0,0,0,1|3,0,0]=4 191 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 7847AF [0,0,0,0,0,1|2,0,1]=4 192 B10R1.13 NC1=CN=C(C(=O)O)C=C1 3083AJ [0,0,0,0,0,1|2,0,0]=3 193 B10R1.13 NC1=NC=C(C(=O)O)N=C1 W6057 [0,0,0,0,0,1|2,0,0]=3 194 B10R1.13 NC1=NN=C(C(=O)O)C=C1 X0293 [0,0,0,0,0,1|3,0,0]=4 195 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 W5818 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 W8994 [0,0,0,0,0,1|2,0,0]=3 197 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 Z4686 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.13 O=C(O)C1=NC=C(I)C=C1 3537AB [0,0,0,0,0,1|2,0,0]=3 199 B10R1.13 O=C(O)C1=NC=C(O)C=C1 5863AH [0,0,0,0,0,1|2,0,0]=3 200 B10R1.13 O=C(O)C1=NC=C(O)N=C1 V1419 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 F105 [0,0,0,0,0,1|2,0,1]=4 202 B10R1.13 O=C1C=CC(C(=O)O)=CO1 7614AF [0,0,0,0,0,1|1,1,0]=3 203 B10R1.54 CC1=CN(CC(=O)O)N=C1 4363AF [0,0,0,0,0,1|3,0,0]=4 204 B10R1.54 CC1=NC(CC(=O)O)=CS1 6640AA [0,0,0,0,0,1|1,0,0]=2 205 B10R1.54 CN1C=NC(CC(=O)O)=C1 2304AB [0,0,0,0,0,1|3,0,0]=4 206 B10R1.54 NC1=CC(CC(=O)O)=NN1 W3820 [0,0,0,0,0,1|3,0,0]=4 207 B10R1.54 O=C(O)CC1=CC(Br)=CS1 Y7718 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 3551AC [0,0,0,0,0,1|3,0,0]=4 209 B10R1.113 CC(=O)C1=CC(C)=NC=C1 W5046 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 Y8387 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.113 CC(=O)C1=CC(F)=CN=C1 4092AB [0,0,0,0,0,1|3,0,0]=4 212 B10R1.113 CC(=O)C1=CN=CC(C)=C1 5943AB [0,0,0,0,0,1|2,0,0]=3 213 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 8967AB [0,0,0,0,0,1|3,0,0]=4 214 B10R1.113 CC1=CC(B(O)O)=NC=C1 V5567 [0,0,0,0,0,1|2,0,1]=4 215 B10R1.113 CC1=CC(C(N)=O)=CC=C1 F917 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.113 CC1=CC([N+](=O)[O-])=NC=C1 X3370 [0,0,0,0,0,1|2,0,1]=4 217 B10R1.113 CC1=CC=CC(C(=N)N)=C1 0599AB [0,0,0,0,0,1|3,0,0]=4 218 B10R1.113 CC1=CC=CC(C(C)O)=C1 8099AF [0,0,0,0,0,1|2,0,1]=4 219 B10R1.113 CC1=NC=CC(C(=O)O)=N1 X9944 [0,0,0,0,0,1|2,0,0]=3 220 B10R1.113 CC1=NC=CC([N+](=O)[O-])=C1 N229 [0,0,0,0,0,1|2,0,1]=4 221 B10R1.113 CN1CCC=C(C(=O)O)C1 6492AE [0,0,0,0,0,1|2,0,1]=4 222 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 6013AL [0,0,0,0,0,1|3,0,0]=4 223 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 Y6780 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.113 NC(=O)C1=CC(N)=CN=C1 W7302 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 Y9632 [0,0,0,0,0,1|3,0,0]=4 226 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 9338AB [0,0,0,0,0,1|3,0,0]=4 227 B10R1.113 NC(=O)C1=NC=CC(F)=C1 Y7165 [0,0,0,0,0,1|3,0,0]=4 228 B10R1.113 NC1=CC(C(=O)O)=NC=C1 5565AH [0,0,0,0,0,1|2,0,0]=3 229 B10R1.113 NC1=CC(C(=O)O)=NC=C1 X8464 [0,0,0,0,0,1|2,0,0]=3 230 B10R1.113 NC1=CC(C(=O)O)=NC=C1 X9744 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.113 NC1=CC(C(=O)[O-])=CC=C1 5988AL [0,0,0,0,0,1|2,0,1]=4 232 B10R1.113 NC1=CN=CC(C(=O)O)=N1 W7370 [0,0,0,0,0,1|3,0,0]=4 233 B10R1.113 NC1=NC=CC(C(=O)O)=N1 W4491 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 6069AL [0,0,0,0,0,1|3,0,0]=4 235 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 W5819 [0,0,0,0,0,1|2,0,0]=3 236 B10R1.113 O=C(O)C1=CC(I)=NC=C1 Y9547 [0,0,0,0,0,1|2,0,0]=3 237 B10R1.113 O=C(O)C1=CN=NC(Cl)=C1 9032AF [0,0,0,0,0,1|2,0,0]=3 238 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 B798 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.113 O=C([O-])C1=CC=CC(F)=C1 X2825 [0,0,0,0,0,1|2,0,1]=4 240 B10R1.113 O=C1C=C(C(=O)O)C=NN1 W8905 [0,0,0,0,0,1|2,0,0]=3 241 B10R1.113 O=C1C=COC(C(=O)O)=C1 3223AL [0,0,0,0,0,1|2,0,0]=3 242 B10R1.113 O=C1N=CC=C(C(=O)O)N1 W9231 [0,0,0,0,0,1|3,0,0]=4 243 B7R0.6 C=C(C)CCC(=O)O 0114AA [1,0,1,0,0,0|0,0,2]=4 244 B7R0.6 O=C(O)\C=C\C(=O)O X2063 [1,0,1,0,0,0|1,1,0]=4 245 B7R0.6 O=C([O-])\C=C/C(=O)O 8175AL [1,0,1,0,0,0|1,1,0]=4 246 B7R1.1 CCC1=CSC=C1 X4152 [2,0,0,0,0,0|1,0,1]=4 247 B7R1.1 CSC1=CSC=C1 Z0368 [2,0,0,0,0,0|2,0,0]=4 248 B7R1.1 NCC1=CSC=C1 Y8534 [2,0,0,0,0,0|1,0,1]=4 249 B7R1.1 O=CC1=CC=NS1 7399AB [2,0,0,0,0,0|2,0,0]=4 250 B7R1.1 O=CC1=CNN=C1 9871AH [2,0,0,0,0,0|2,0,0]=4 251 B7R1.1 O=CC1=CON=C1 0015AC [2,0,0,0,0,0|1,1,0]=4 252 B7R1.1 O=CC1=CSN=N1 2643AB [2,0,0,0,0,0|2,0,0]=4 253 B7R1.1 OCC1=CSC=N1 X0268 [2,0,0,0,0,0|1,0,1]=4 254 B7R1.2 CC1=CSC(Br)=C1 7530AB [2,0,0,0,0,0|1,0,1]=4 255 B7R1.2 CC1=CSC(C)=C1 X6352 [2,0,0,0,0,0|0,0,1]=3 256 B7R1.2 CC1=NC(Br)=CS1 X4179 [2,0,0,0,0,0|2,0,0]=4 257 B7R1.2 CN1C=C(O)C=N1 Y5106 [2,0,0,0,0,0|2,0,0]=4 258 B7R1.2 NC1=NC(O)=CS1 Z1669 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.7 CC1=NC(CCO)=CS1 5194AJ [1,1,0,0,0,0|1,0,1]=4 260 B9R1.21 CCC1=NC=C(C=O)S1 5803AC [1,1,0,0,0,0|2,0,0]=4 261 B9R1.21 CCN1C=C(C=O)C=N1 W5294 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.21 COC1=NC=C(C=O)S1 W9748 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.22 CC1=CC(C=O)=C(C)S1 Z5494 [1,1,0,0,0,0|0,0,0]=2 264 B9R1.23 CC1=C(Br)SC(C=O)=C1 V4026 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.132 CC1=C(C=O)C=NN1C Y5363 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.11 COC(=O)C1=CC=NO1 W3292 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.11 COC(=O)C1=CN=CN1 5358AA [1,1,0,0,0,0|2,0,0]=4 268 B9R1.11 COC(=O)C1=CN=CO1 Y7252 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.11 COC(=O)C1=COC=N1 8746AA [1,1,0,0,0,0|1,1,0]=4 270 B9R1.11 COC(=O)C1=CSC=N1 Y5483 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.11 COC(=O)N1C=CC=C1 3202AE [1,1,0,0,0,0|2,0,0]=4 272 B9R1.11 NNC(=O)C1=CSC=N1 Y5141 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.41 CC(=O)C1=C(N)SC=C1 9394AH [1,1,0,0,0,0|1,0,0]=3 274 B9R1.41 CC1=C(C(=O)O)C=CN1 4732AB [1,1,0,0,0,0|1,0,0]=3 275 B9R1.41 CC1=C(C(=O)O)C=CO1 Y9842 [1,1,0,0,0,0|0,1,0]=3 276 B9R1.41 CC1=C(C(=O)O)C=CS1 W4117 [1,1,0,0,0,0|0,0,0]=2 277 B9R1.41 CC1=C(C(=O)O)N=CO1 X8680 [1,1,0,0,0,0|1,1,0]=4 278 B9R1.41 CC1=C(C(=O)O)N=CS1 X8003 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.41 CC1=CNN=C1C(=O)O 6212AJ [1,1,0,0,0,0|2,0,0]=4 280 B9R1.41 CC1=CSC=C1C(=O)O Z5123 [1,1,0,0,0,0|0,0,0]=2 281 B9R1.41 CC1=NSC=C1C(=O)O Y7681 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.41 NC(=O)C1=C(N)SC=C1 W3069 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.41 NC(=O)C1=C(N)SC=N1 W6941 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.41 NC1=C(C(=O)O)SC=C1 V6581 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.41 NC1=CNN=C1C(=O)O Y7141 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.41 NC1=NSN=C1C(=O)O W5110 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.41 O=C(O)C1=C(Br)C=CO1 Z5464 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.41 O=C(O)C1=C(Br)C=NN1 Z3880 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.41 O=C(O)C1=C(Br)SC=N1 X8679 [1,1,0,0,0,0|1,0,0]=3 290 B9R1.41 O=C(O)C1=C(F)C=CS1 W5425 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.41 O=C(O)C1=C(O)C=CS1 7114AB [1,1,0,0,0,0|2,0,0]=4 292 B9R1.41 O=C(O)C1=CSC=C1Br Y7756 [1,1,0,0,0,0|0,0,0]=2 293 B9R1.41 O=C(O)C1=NNC=C1Cl W8728 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.41 O=[N+]([O-])C1=C(Br)SC=C1 Z4413 [1,1,0,0,0,0|1,0,1]=4 295 B9R1.41 O=[N+]([O-])C1=C(Cl)SC=C1 Y9358 [1,1,0,0,0,0|1,0,1]=4 296 B9R1.41 OB(O)C1=C(Cl)SC=C1 E268 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 9791AL [0,1,0,0,0,1|2,0,0]=4 298 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 7697AB [0,1,0,0,0,1|1,0,0]=3 299 B11R1.3 COC1=CN=C(C(=O)O)C=C1 X2006 [0,1,0,0,0,1|1,0,0]=3 300 B11R1.3 COC1=CN=C(C(C)=O)C=C1 V5184 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.3 COC1=NN=C(C(=O)O)C=C1 Y9484 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 X8931 [0,1,0,0,0,1|1,0,0]=3 303 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 2990AC [0,1,0,0,0,1|2,0,0]=4 304 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 X5512 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.19 CC1=CC=C(P(=O)(O)O)C=C1 3952AB [0,1,0,0,0,1|2,0,0]=4 306 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 1016AA [0,1,0,0,0,1|2,0,0]=4 307 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 7009AA [0,1,0,0,0,1|2,0,0]=4 308 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 I689 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 X7028 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Z4677 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=N1 W6471 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 L433 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 X9173 [0,1,0,0,0,1|1,0,0]=3 314 B11R1.21 CC1=C(Cl)N=CC(C(=O)O)=C1 Y9777 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.21 CC1=C(F)C=C(C(N)=O)C=C1 8761AA [0,1,0,0,0,1|2,0,0]=4 316 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 0227AA [0,1,0,0,0,1|2,0,0]=4 317 B11R1.21 CC1=CC(C(=O)O)=CC=C1I W6695 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.21 CC1=CC=C(C(N)=O)C=C1C 5611AE [0,1,0,0,0,1|2,0,0]=4 319 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br Z0162 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.21 CC1=NC(C(=O)O)=CNC1=O 2046AC [0,1,0,0,0,1|2,0,0]=4 321 B11R1.21 CC1=NC=C(C(=O)O)C=C1Br 3254AA [0,1,0,0,0,1|1,0,0]=3 322 B11R1.21 CC1=NC=C(C(=O)O)N=C1C 6284AA [0,1,0,0,0,1|1,0,0]=3 323 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 4744AB [0,1,0,0,0,1|2,0,0]=4 324 B11R1.21 CN1C=CC(C(=O)O)=CC1=O 4035AB [0,1,0,0,0,1|2,0,0]=4 325 B11R1.21 NC1=CC(C(=O)O)=CC=C1F X2787 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.21 NC1=CC=C(C(=O)O)C=C1I W4421 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.21 NC1=NC=C(C(=O)O)C=C1Br W3918 [0,1,0,0,0,1|2,0,0]=4 328 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 5955AB [0,1,0,0,0,1|2,0,0]=4 329 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 9297AB [0,1,0,0,0,1|2,0,0]=4 330 B11R1.21 O=C(O)C1=CC(F)=C(Cl)N=C1 Y8936 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 4787AB [0,1,0,0,0,1|2,0,0]=4 332 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 0937AA [0,1,0,0,0,1|2,0,0]=4 333 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 3423AC [0,1,0,0,0,1|2,0,0]=4 334 B11R1.21 O=C(O)C1=CC=C(I)C(Br)=C1 Z4496 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 Z4560 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.21 O=C(O)C1=NC(Br)=C(Br)C=C1 W5183 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 Z3847 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 6719AC [0,1,0,0,0,1|2,0,0]=4 339 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 Z5279 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 X9492 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.22 CC1=CC=C(C(=O)C#N)C=C1 5639AH [0,1,0,0,0,1|2,0,0]=4 342 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 Z5095 [0,1,0,0,0,1|1,0,1]=4 343 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 1635AE [0,1,0,0,0,1|2,0,0]=4 344 B11R1.22 CC1=CC=C(\C(N)=N/O)C=C1 9986AA [0,1,0,0,0,1|2,0,0]=4 345 B11R1.22 COC(=O)C1=CN=C(O)C=C1 W7719 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 W4394 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.22 COC(=O)C1=NC=C(C)C=C1 W5212 [0,1,0,0,0,1|1,0,0]=3 348 B11R1.22 COC(=O)C1=NC=C(F)C=C1 Z7177 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.22 COC(=O)C1=NC=C(N)C=C1 W7797 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.22 COC(=O)C1=NC=C(N)N=C1 W3046 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.22 COC(=O)C1=NC=C(O)C=C1 W5304 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.22 COC(=O)C1=NC=C(O)N=C1 W3047 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.22 COC(=O)C1=NN=C(C)C=C1 1449AA [0,1,0,0,0,1|2,0,0]=4 354 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 5413AB [0,1,0,0,0,1|2,0,0]=4 355 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 2994AB [0,1,0,0,0,1|2,0,0]=4 356 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 4310AA [0,1,0,0,0,1|2,0,0]=4 357 B11R1.166 CC(=O)C1=CC=C(C)C=C1O Y9837 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 Y6583 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 V1675 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=C1 Y9253 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.166 CC1=C(C(=O)O)C=NC(F)=C1 Y4793 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 Y8311 [0,1,0,0,0,1|1,0,0]=3 363 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O W9131 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 9417AA [0,1,0,0,0,1|2,0,0]=4 365 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 8698AB [0,1,0,0,0,1|1,0,0]=3 366 B11R1.166 CC1=CC=C(C(=O)O)C(N)=N1 3156AH [0,1,0,0,0,1|1,0,0]=3 367 B11R1.166 CC1=CC=C(C(N)=O)C(O)=C1 V1241 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 X9475 [0,1,0,0,0,1|1,0,0]=3 369 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O Y3603 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 1550AC [0,1,0,0,0,1|1,0,0]=3 371 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=N1 X9391 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=N1 W7166 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.166 NC1=C(C(=O)O)C=NC(=O)N1 4638AB [0,1,0,0,0,1|2,0,0]=4 374 B11R1.166 NC1=C(C(=O)O)C=NC(Cl)=C1 1373AA [0,1,0,0,0,1|2,0,0]=4 375 B11R1.166 NC1=CC(I)=CC=C1C(=O)O W4360 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 R830 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.166 NC1=CC(O)=CC=C1C(=O)O X8023 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.166 NC1=NC(Cl)=NC=C1C(=O)O 2075AC [0,1,0,0,0,1|2,0,0]=4 379 B11R1.166 NC1=NC=C(C(=O)O)C(N)=N1 Z2443 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 9274AB [0,1,0,0,0,1|2,0,0]=4 381 B11R1.166 O=C(O)C1=C(Br)C=C(Br)N=C1 1337AC [0,1,0,0,0,1|2,0,0]=4 382 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 5021AH [0,1,0,0,0,1|2,0,0]=4 383 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 Z3983 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br W6933 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.166 O=C(O)C1=CC=C(Br)N=C1F Z8316 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.166 O=C(O)C1=CN=C(Cl)N=C1Cl X2143 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.166 O=C(O)C1=CN=C(O)C=C1Cl Z5074 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F Y9776 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl Y8676 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br Y7202 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.314 NC1=NC(C(=O)C(=O)O)=CS1 K980 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.23 CC1=CC(\C(N)=N\O)=CC=C1 2551AE [0,1,0,0,0,1|2,0,0]=4 393 B11R1.23 CCC(=O)C1=CC(C)=CC=C1 7236AB [0,1,0,0,0,1|2,0,0]=4 394 B11R1.23 COC(=O)C1=CC(=O)NC=C1 W9272 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.23 COC(=O)C1=CC(C)=CC=N1 6274AA [0,1,0,0,0,1|1,0,0]=3 396 B11R1.23 COC(=O)C1=CC(C)=NC=C1 8594AA [0,1,0,0,0,1|1,0,0]=3 397 B11R1.23 COC(=O)C1=CC(C)=NC=N1 1480AC [0,1,0,0,0,1|1,0,0]=3 398 B11R1.23 COC(=O)C1=CC(F)=NC=C1 Z6058 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.23 COC(=O)C1=CC(I)=NC=C1 Z9814 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.23 COC(=O)C1=CC(O)=NC=N1 7127AJ [0,1,0,0,0,1|2,0,0]=4 401 B11R1.23 COC(=O)C1=CC=CC(N)=C1 3819AC [0,1,0,0,0,1|2,0,0]=4 402 B11R1.23 COC(=O)C1=CN=CC(F)=C1 V6033 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.23 COC(=O)C1=CN=CC(N)=C1 4299AJ [0,1,0,0,0,1|2,0,0]=4 404 B11R1.23 COC(=O)C1=NC(C)=CN=C1 7130AJ [0,1,0,0,0,1|2,0,0]=4 405 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 W3865 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.23 COC(=O)C1=NC=CC(F)=C1 V8670 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.23 COC(=O)C1=NC=CC(I)=C1 V5601 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.23 COC(=O)C1=NC=CC(O)=C1 V6083 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 X8328 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 Z2245 [0,1,0,0,0,1|1,0,0]=3 411 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 Y9408 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=C1 Z4893 [0,1,0,0,0,1|1,0,0]=3 413 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 X3116 [0,1,0,0,0,1|1,0,0]=3 414 B11R1.74 NC1=CC(C(=O)O)=CC(Cl)=C1 X8029 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.74 NC1=CC(C(=O)O)=CC(F)=C1 W8462 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 6925AA [0,1,0,0,0,1|2,0,0]=4 417 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 Z5106 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 5927AL [0,1,0,0,0,1|2,0,0]=4 419 B11R1.74 O=C(O)C1=CC(I)=CC(F)=C1 X4491 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.155 CC1=CC(S(=O)(=O)O)=CN=C1 6589AB [0,1,0,0,0,1|2,0,0]=4 421 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O 3708AA [0,1,0,0,0,1|2,0,0]=4 422 B11R1.159 CC1=C(C(=O)O)C=CN=C1Cl 6142AA [0,1,0,0,0,1|2,0,0]=4 423 B11R1.159 CC1=C(I)C=CC=C1C(=O)O X2813 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.159 CN1C=CC=C(C(=O)O)C1=O 7787AA [0,1,0,0,0,1|2,0,0]=4 425 B11R1.159 NC1=C(Br)C(C(=O)O)=CC=C1 V3721 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl Z4908 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.159 NC1=C(Cl)C(C(=O)O)=CC=C1 X8028 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 X8030 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.159 O=C(O)C1=C(Br)C(Br)=NC=C1 0541AA [0,1,0,0,0,1|2,0,0]=4 430 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 8344AB [0,1,0,0,0,1|2,0,0]=4 431 B11R1.159 O=C(O)C1=C(F)C(Br)=NC=C1 5472AJ [0,1,0,0,0,1|2,0,0]=4 432 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 X4483 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Br Z4927 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Cl X8043 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.159 O=C(O)C1=CC=CC(F)=C1I X4486 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.159 O=C(O)C1=CC=CC(I)=C1Br 3273AC [0,1,0,0,0,1|2,0,0]=4 437 B11R1.159 O=C(O)C1=CC=CC(I)=C1Cl A542 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl 6646AC [0,1,0,0,0,1|2,0,0]=4 439 B11R1.167 CC(=O)C1=CC(C)=CC=C1F X8298 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 4311AB [0,1,0,0,0,1|2,0,0]=4 441 B11R1.167 CC1=CC=C(Cl)C(C(=O)O)=N1 4794AC [0,1,0,0,0,1|2,0,0]=4 442 B11R1.167 CC1=CC=C(O)C(C(N)=O)=C1 V1242 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 Z4478 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 W7762 [0,1,0,0,0,1|1,0,0]=3 445 B11R1.167 CC1=CN=C(N)C(C(N)=O)=C1 0576AA [0,1,0,0,0,1|2,0,0]=4 446 B11R1.167 CC1=CNC(=O)C(C(=O)O)=C1 4899AB [0,1,0,0,0,1|1,0,0]=3 447 B11R1.167 CC1=NC(C(=O)O)=C(O)C=C1 6892AA [0,1,0,0,0,1|2,0,0]=4 448 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 X8520 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 Y4678 [0,1,0,0,0,1|1,0,0]=3 450 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 8804AA [0,1,0,0,0,1|2,0,0]=4 451 B11R1.167 NC1=NC=C(Br)C(C(=O)O)=C1 Y6748 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl Z0665 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.167 O=C(O)C1=CC(Br)=NC=C1F Y4537 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1F W9067 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.167 O=C(O)C1=CC(F)=CN=C1F 0695AF [0,1,0,0,0,1|2,0,0]=4 456 B11R1.167 O=C(O)C1=CC(I)=CC=C1I Z1811 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.167 O=C(O)C1=CC(I)=CN=C1Cl 6435AE [0,1,0,0,0,1|2,0,0]=4 458 B11R1.167 O=C(O)C1=CC(O)=CC=C1F X2155 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.167 O=C(O)C1=CC(O)=CC=C1I X8082 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl 5941AB [0,1,0,0,0,1|2,0,0]=4 461 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 5335AH [0,1,0,0,0,1|1,0,1]=4 462 B11R1.266 CNC1=CC=CC(C(=O)O)=C1 7186AB [0,1,0,0,0,1|1,0,0]=3 463 B11R1.266 CNC1=CN=CC(C(=O)O)=C1 6280AJ [0,1,0,0,0,1|1,0,0]=3 464 B11R1.266 COC1=CC(C(=O)O)=CN=C1 W4373 [0,1,0,0,0,1|1,0,0]=3 465 B11R1.266 COC1=CC(C(C)=O)=NC=C1 8865AB [0,1,0,0,0,1|2,0,0]=4 466 B11R1.266 COC1=CC(C(N)=O)=NC=C1 V8887 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.266 COC1=CN=CC(C(=O)O)=C1 Y6897 [0,1,0,0,0,1|1,0,0]=3 468 B11R1.266 COC1=NC=NC(C(=O)O)=C1 4930AB [0,1,0,0,0,1|1,0,0]=3 469 B11R1.266 CSC1=NC=CC(C(=O)O)=N1 X9021 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.266 N#CC1=NC=CC(C(=O)O)=C1 W3495 [0,1,0,0,0,1|1,0,1]=4 471 B11R1.266 NC(=O)C1=CC=CC(CBr)=C1 Z4812 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 Q654 [0,1,0,0,0,1|1,0,0]=3 473 B11R1.266 NCC1=CC(C(N)=O)=CC=C1 Z6536 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 Y9548 [0,1,0,0,0,1|1,0,0]=3 475 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 X0219 [0,1,0,0,0,1|1,0,0]=3 476 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 X8078 [0,1,0,0,0,1|1,0,0]=3 477 B11R1.266 O=C(O)C1=NC(CO)=CC=C1 X9395 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.266 O=CC1=CC(C(=O)O)=CC=N1 3286AC [0,1,0,0,0,1|1,0,1]=4 479 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 9712AF [0,2,0,0,0,0|2,0,0]=4 480 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 W6195 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.15 CCOC(=O)C1=CSC(N)=N1 3350AE [0,2,0,0,0,0|2,0,0]=4 482 B11R1.44 COC(=O)C1=CC=C(CCl)O1 Y8249 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.44 COC(=O)C1=CC=C(OC)S1 7121AJ [0,2,0,0,0,0|2,0,0]=4 484 B11R1.44 COC(=O)C1=COC(CCl)=N1 Y8207 [0,2,0,0,0,0|1,1,0]=4 485 B11R1.225 COC(=O)C1=C(Br)SC(Br)=N1 W9394 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.225 COC(=O)C1=C(Br)SC(C)=N1 7406AH [0,2,0,0,0,0|1,0,0]=3 487 B11R1.225 COC(=O)C1=C(C)SC(N)=N1 Y9680 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.225 COC(=O)C1=C(Cl)SC(Br)=N1 Y6919 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.225 COC(=O)C1=C(Cl)SC(N)=N1 W9406 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 W8336 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 X6039 [0,2,0,0,0,0|0,0,0]=2 492 B11R1.225 COC(=O)C1=C(O)C=C(C)S1 W6953 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.226 COC(=O)C1=CC(C)=C(Br)S1 Y9435 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 7645AC [0,2,0,0,0,0|2,0,0]=4 495 B11R1.865 COC(=O)C1=C(Cl)C(C)=CS1 9084AA [0,2,0,0,0,0|2,0,0]=4 496 B11R1.865 COC(=O)C1=C(N)N(C)N=C1 1998AA [0,2,0,0,0,0|2,0,0]=4 497 B11R1.865 COC(=O)C1=NOC(C)=C1Br 0671AF [0,2,0,0,0,0|1,1,0]=4 498 B11R1.50 CCC1=NN(C)C(C(=O)O)=C1 2317AB [0,2,0,0,0,0|2,0,0]=4 499 B11R1.50 CCN1C=C(C(=O)O)C(C)=N1 8990AC [0,2,0,0,0,0|2,0,0]=4 500 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 1762AJ [0,2,0,0,0,0|2,0,0]=4 501 B11R1.124 CCCC1=CC(C(=O)O)=NO1 4883AC [0,2,0,0,0,0|1,1,0]=4 502 B11R1.124 CCCC1=NNC(C(=O)O)=C1 9410AE [0,2,0,0,0,0|2,0,0]=4 503 B11R1.124 COCC1=CC=C(C(=O)O)O1 6465AD [0,2,0,0,0,0|2,0,0]=4 504 B11R1.175 CC(C)C1=NC(C(=O)O)=CS1 1567AB [0,2,0,0,0,0|1,0,0]=3 505 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 V5953 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.175 O=C(O)C1=CSC([N+](=O)[O-])=C1 W6081 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.672 CC1=C(Br)C(C(=O)O)=NN1C 5951AE [0,2,0,0,0,0|2,0,0]=4 508 B11R1.672 CC1=C(Cl)C(Cl)=C(C(=O)O)N1 X3675 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 X9398 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br Y1165 [0,2,0,0,0,0|2,0,0]=4 511 B9R1.2 C=CC1=CC(C)=CC=C1 9514AF [1,0,0,0,0,1|2,0,0]=4 512 B9R1.2 CC1=CC(C=O)=CN=C1 X8532 [1,0,0,0,0,1|1,0,0]=3 513 B9R1.2 CC1=CC(C=O)=NC=C1 W6792 [1,0,0,0,0,1|1,0,0]=3 514 B9R1.2 CC1=CN=CC(CO)=C1 W9908 [1,0,0,0,0,1|1,0,1]=4 515 B9R1.2 CC1=NC=CC(C=O)=C1 I239 [1,0,0,0,0,1|1,0,0]=3 516 B9R1.2 CC1=NC=CC(C=O)=N1 X8509 [1,0,0,0,0,1|2,0,0]=4 517 B9R1.2 CC1=NC=CC(CO)=C1 X8748 [1,0,0,0,0,1|1,0,1]=4 518 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [1,0,0,0,0,1|2,0,0]=4 519 B9R1.2 O=CC1=CC(Cl)=NC=C1 X8543 [1,0,0,0,0,1|2,0,0]=4 520 B9R1.2 O=CC1=CC(Cl)=NC=C1 Z8697 [1,0,0,0,0,1|2,0,0]=4 521 B9R1.2 O=CC1=CN=CC(Cl)=C1 W9911 [1,0,0,0,0,1|2,0,0]=4 522 B9R1.2 O=CC1=NC=CC(Cl)=C1 W7511 [1,0,0,0,0,1|2,0,0]=4 523 B9R1.13 CC(=O)NC1=CSC=C1 7173AJ [1,0,0,0,0,1|1,0,0]=3 524 B9R1.13 O=C(O)CC1=CC=CO1 V2403 [1,0,0,0,0,1|2,0,0]=4 525 B9R1.13 O=C(O)CC1=CSC=N1 1669AC [1,0,0,0,0,1|1,0,0]=3 526 B9R1.13 O=C(O)CN1C=CN=C1 Q309 [1,0,0,0,0,1|2,0,0]=4 527 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 7126AD [0,0,0,0,0,2|2,0,0]=4 528 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 X3804 [0,0,0,0,0,2|1,0,0]=3 529 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 5630AH [0,0,0,0,0,2|2,0,0]=4 530 B11R1.75 CN1C=C(CCC(=O)O)C=N1 9864AE [0,0,0,0,0,2|2,0,0]=4 531 B11R1.75 CN1C=C(\C=C\C(=O)O)C=N1 8169AE [0,0,0,0,0,2|2,0,0]=4 532 B11R1.157 CC(=O)NC1=CC(C)=NC=C1 Z2800 [0,0,0,0,0,2|2,0,0]=4 533 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 Y9356 [0,0,0,0,0,2|2,0,0]=4 534 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 Y5077 [0,0,0,0,0,2|2,0,0]=4 535 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 4909AB [0,0,0,0,0,2|2,0,0]=4