0 B9R1.35 CC(=O)C1=CC(Cl)=CS1 W5634 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=NC=C(Br)S1 2132AC [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC1=CC(C(=O)O)=CN1 X8465 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 CC1=CC(C(N)=O)=NN1 Z2991 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 CC1=CC(C(N)=S)=NO1 9564AE [0,0,0,0,0,0|2,1,0]=3 7 B9R1.35 CC1=CC=C(C(=O)O)N1 4808AB [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC1=CN=C(C(=O)O)O1 X6429 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 CC1=CNC(C(=O)O)=C1 V0508 [0,0,0,0,0,0|1,0,1]=2 10 B9R1.35 CC1=CNC(C(=O)O)=N1 Y9876 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC1=NC(C(N)=O)=CO1 X5248 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC1=NC(C(N)=O)=CS1 Y5140 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CC1=NN=C(C(=O)O)O1 7252AB [0,0,0,0,0,0|1,0,1]=2 15 B9R1.35 CC1=NN=C(C(=O)O)S1 6856AB [0,0,0,0,0,0|1,0,1]=2 16 B9R1.35 CN1C=C(C(=O)O)N=N1 8495AA [0,0,0,0,0,0|1,0,1]=2 17 B9R1.35 NC(=O)C1=CC(Br)=NO1 4565AA [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 NC(=O)C1=NNC(Br)=N1 0998AD [0,0,0,0,0,0|3,0,0]=3 19 B9R1.35 NC(=O)C1=NNC(Cl)=N1 5398AE [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 NC1=CSC(C(=O)O)=C1 6089AJ [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 NC1=NC(C(=O)O)=CS1 Y7076 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 NC1=NC=C(C(=O)O)O1 V8587 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.35 NC1=NN=C(C(=O)O)S1 9637AB [0,0,0,0,0,0|2,0,1]=3 24 B9R1.35 O=C(O)C1=CC(Cl)=NO1 0612AB [0,0,0,0,0,0|2,0,1]=3 25 B9R1.35 O=C(O)C1=CC(F)=CS1 3617AB [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 O=C(O)C1=CC=C(I)O1 6244AD [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y9881 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 O=C(O)C1=COC(I)=N1 4876AA [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 O=C(O)C1=NC(Br)=CO1 X6341 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 O=C(O)C1=NC=C(Cl)S1 Y6782 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.35 O=C1C=C(C(=O)O)CC1 Y5171 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.35 O=C1CC(C(=O)O)=NN1 8551AE [0,0,0,0,0,0|1,0,1]=2 33 B9R1.35 O=C1N=C(C(=O)O)NN1 3908AE [0,0,0,0,0,0|2,0,1]=3 34 B9R1.35 O=C1NCC(C(=O)O)N1 5596AJ [0,0,0,0,0,0|3,0,1]=4 35 B8R1.1 CC1=CC(C#N)=NN1 W5930 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.1 CC1=CC(C#N)=NO1 V0794 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.1 CC1=CC(CBr)=NO1 Y7388 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 CC1=CC(CN)=NO1 8858AH [1,0,0,0,0,0|2,0,1]=4 39 B8R1.1 CC1=CC=C(C=O)N1 3298AA [1,0,0,0,0,0|3,0,0]=4 40 B8R1.1 CC1=CNC(CO)=C1 4693AD [1,0,0,0,0,0|1,0,2]=4 41 B8R1.1 CC1=NC(CN)=NN1 3635AD [1,0,0,0,0,0|2,0,1]=4 42 B8R1.1 CC1=NC(CO)=NO1 8569AD [1,0,0,0,0,0|2,0,1]=4 43 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.1 O=CC1=CC(Br)=NO1 W4557 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.1 O=CC1=CC(Cl)=CS1 8472AB [1,0,0,0,0,0|3,0,0]=4 46 B8R1.1 O=CC1=CNC(=O)N1 1313AC [1,0,0,0,0,0|3,0,0]=4 47 B8R1.1 O=CC1=NC=C(Br)S1 Y5660 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.1 O=CC1=NC=C(Cl)S1 Y5482 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 CC(=O)C1=CC=NO1 4156AC [1,0,0,0,0,0|2,0,1]=4 50 B8R1.7 CC(=O)C1=NC=CO1 W8389 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 CC(=O)C1=NOC=C1 4155AC [1,0,0,0,0,0|2,0,0]=3 52 B8R1.7 NC(=O)C1=CC=CN1 V6031 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.7 NC(=O)C1=CNC=C1 1113AC [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 NC(=O)C1=CNC=N1 2439AB [1,0,0,0,0,0|3,0,0]=4 55 B8R1.7 NC(=O)C1=CNN=C1 3575AE [1,0,0,0,0,0|3,0,0]=4 56 B8R1.7 NC(=O)C1=COC=N1 Z4456 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.7 NC(=O)C1=CSC=N1 Y5399 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.7 NC(=O)C1=NC=CS1 X5637 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.7 O=C(O)C1=COCC1 W9830 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 O=C(O)C1=NSC=C1 6302AB [1,0,0,0,0,0|1,0,0]=2 62 B8R1.7 O=C(O)C1C=CCO1 1916AL [1,0,0,0,0,0|2,0,1]=4 63 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 O=C([O-])C1=NC=CS1 4281AE [1,0,0,0,0,0|2,0,1]=4 65 B10R1.14 CC1=CC(C(=O)NN)=CS1 4925AE [0,1,0,0,0,0|3,0,0]=4 66 B10R1.14 COC(=O)C1=CC(C)=CN1 0966AE [0,1,0,0,0,0|1,0,1]=3 67 B10R1.14 COC(=O)C1=CC(C)=NO1 0210AA [0,1,0,0,0,0|1,0,1]=3 68 B10R1.14 COC(=O)C1=CC(F)=CS1 0106AP [0,1,0,0,0,0|3,0,0]=4 69 B10R1.14 COC(=O)C1=CC(O)=NN1 X6430 [0,1,0,0,0,0|1,0,2]=4 70 B10R1.14 COC(=O)C1=NN=C(C)O1 Z4673 [0,1,0,0,0,0|1,0,1]=3 71 B10R1.14 COC(=O)C1=NNC(=O)N1 4315AJ [0,1,0,0,0,0|2,0,0]=3 72 B10R1.14 COC(=O)C1=NNC(Cl)=N1 1039AB [0,1,0,0,0,0|2,0,0]=3 73 B10R1.31 CCC1=CC(C(=O)O)=CS1 Y1108 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.31 CCC1=CC(C(=O)O)=NN1 5389AB [0,1,0,0,0,0|0,0,0]=1 75 B10R1.31 CCC1=CC=C(C(=O)O)O1 8236AB [0,1,0,0,0,0|3,0,0]=4 76 B10R1.31 CCC1=CC=C(C(=O)O)S1 Z2977 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.31 CCC1=CSC(C(=O)O)=N1 0041AD [0,1,0,0,0,0|3,0,0]=4 78 B10R1.31 CCC1=NOC(C(=O)O)=C1 7251AA [0,1,0,0,0,0|1,0,1]=3 79 B10R1.31 CCC1=NOC(C(=O)O)=N1 3957AF [0,1,0,0,0,0|2,0,1]=4 80 B10R1.31 COC1=CC=C(C(=O)O)O1 3836AF [0,1,0,0,0,0|3,0,0]=4 81 B10R1.31 COC1=NOC(C(=O)O)=C1 6455AA [0,1,0,0,0,0|1,0,1]=3 82 B10R1.31 N#CC1=CNC(C(=O)O)=C1 X5552 [0,1,0,0,0,0|1,0,2]=4 83 B10R1.31 O=C(O)C1=CC(CO)=NN1 6306AC [0,1,0,0,0,0|0,0,2]=3 84 B10R1.31 O=CC1=CC(C(=O)O)=CO1 8998AB [0,1,0,0,0,0|2,0,1]=4 85 B10R1.55 CC1=CC(C(C)(C)C)=NN1 4524AF [0,1,0,0,0,0|2,0,1]=4 86 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 3393AC [0,1,0,0,0,0|3,0,0]=4 87 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 2990AB [0,1,0,0,0,0|3,0,0]=4 88 B10R1.58 CN1N=C(C(=O)O)C=C1Cl 9929AC [0,1,0,0,0,0|1,0,0]=2 89 B10R1.58 CN1N=C(C(=O)O)C=C1O Y9543 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 4819AC [0,1,0,0,0,0|3,0,0]=4 91 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 4820AC [0,1,0,0,0,0|3,0,0]=4 92 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 1031AE [0,1,0,0,0,0|2,0,1]=4 93 B10R1.59 CC(=O)C1=CC(C)=NN1C W8962 [0,1,0,0,0,0|1,0,2]=4 94 B10R1.59 CC1=CC(C(=O)O)=C(C)S1 Y8498 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 3020AE [0,1,0,0,0,0|2,0,0]=3 96 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 X9459 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 2281AA [0,1,0,0,0,0|3,0,0]=4 98 B10R1.59 O=C(O)C1=C(Br)OC(Br)=C1 3630AB [0,1,0,0,0,0|3,0,0]=4 99 B10R1.194 CC1=C(Br)C(C(=O)O)=NN1 0859AQ [0,1,0,0,0,0|0,0,0]=1 100 B10R1.194 CC1=C(Br)C(C(N)=O)=NN1 3588AB [0,1,0,0,0,0|1,0,0]=2 101 B10R1.194 CC1=C(C(=O)O)NN=C1Br 5725AC [0,1,0,0,0,0|1,0,2]=4 102 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 6451AD [0,1,0,0,0,0|2,0,0]=3 103 B10R1.194 CC1=C(C)C(C(=O)O)=NO1 0061AA [0,1,0,0,0,0|1,0,0]=2 104 B10R1.194 CC1=C(N)C(C(=O)O)=NN1 6324AC [0,1,0,0,0,0|0,0,0]=1 105 B10R1.194 CC1=CSC(C(=O)O)=C1Cl 7815AD [0,1,0,0,0,0|2,0,0]=3 106 B10R1.194 CC1=CSC(C(=O)O)=C1N 1700AB [0,1,0,0,0,0|2,0,0]=3 107 B10R1.194 CN1C=NC(C(N)=O)=C1N 0854AB [0,1,0,0,0,0|3,0,0]=4 108 B10R1.194 O=[N+]([O-])C1=NNC(Br)=C1Br 1026AA [0,1,0,0,0,0|2,0,1]=4 109 B10R1.13 CC(=O)C1=CN=C(O)C=N1 2581AA [0,0,0,0,0,1|3,0,0]=4 110 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 0919AB [0,0,0,0,0,1|2,0,1]=4 111 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [0,0,0,0,0,1|2,0,1]=4 112 B10R1.13 CC1=CN=C(B(O)O)C=C1 X0752 [0,0,0,0,0,1|2,0,1]=4 113 B10R1.13 CC1=CN=C(C(=N)N)C=N1 1246AC [0,0,0,0,0,1|3,0,0]=4 114 B10R1.13 CC1=CN=C(C(=N)N)C=N1 2786AA [0,0,0,0,0,1|3,0,0]=4 115 B10R1.13 CC1=NN=C(C(=O)O)C=C1 Y9703 [0,0,0,0,0,1|0,0,1]=2 116 B10R1.13 NC(=O)C1=NC=C(N)C=N1 8288AB [0,0,0,0,0,1|3,0,0]=4 117 B10R1.13 NC(=O)C1=NN=C(O)C=C1 6449AJ [0,0,0,0,0,1|2,0,1]=4 118 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [0,0,0,0,0,1|2,0,1]=4 119 B10R1.13 NC1=CN=C(C(=O)O)N=C1 Z4892 [0,0,0,0,0,1|2,0,0]=3 120 B10R1.13 O=C(O)C1=CN=C(O)N=C1 W5910 [0,0,0,0,0,1|2,0,1]=4 121 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 Y4602 [0,0,0,0,0,1|1,0,2]=4 122 B10R1.54 CC(=O)NC1=NC=C(C)S1 V6925 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.54 CC(=O)NC1=NNC(C)=C1 W8674 [0,0,0,0,0,1|1,0,0]=2 124 B10R1.54 CC(=O)NC1=NNC(N)=N1 9983AE [0,0,0,0,0,1|3,0,0]=4 125 B10R1.54 CC(=O)NC1=NOC(C)=C1 5950AA [0,0,0,0,0,1|2,0,0]=3 126 B10R1.54 CC1=CC(CC(C)N)=NN1 7648AC [0,0,0,0,0,1|2,0,1]=4 127 B10R1.54 CC1=CC=C(CC(=O)O)S1 0941AC [0,0,0,0,0,1|3,0,0]=4 128 B10R1.54 CC1=NC(CC(=O)O)=NN1 1187AC [0,0,0,0,0,1|1,0,0]=2 129 B10R1.54 NC1=CN(CC(=O)O)N=C1 0384AQ [0,0,0,0,0,1|3,0,0]=4 130 B10R1.54 NC1=NN=C(CC(=O)O)S1 Z8050 [0,0,0,0,0,1|2,0,1]=4 131 B10R1.54 O=C(O)CN1C=C(Br)C=N1 0164AF [0,0,0,0,0,1|3,0,0]=4 132 B10R1.113 CC(=O)C1=CC(C)=NC=N1 W7770 [0,0,0,0,0,1|1,0,1]=3 133 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [0,0,0,0,0,1|3,0,0]=4 134 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [0,0,0,0,0,1|2,0,0]=3 135 B10R1.113 CC1=CC(C(N)=S)=NC=C1 5196AD [0,0,0,0,0,1|2,1,0]=4 136 B10R1.113 CC1=CC([N+](=O)[O-])=CN=C1 Y9848 [0,0,0,0,0,1|2,0,1]=4 137 B10R1.113 CC1=NC(C(=O)O)=NC=C1 Z5358 [0,0,0,0,0,1|2,0,0]=3 138 B10R1.113 CC1=NC(C(N)=O)=NC=C1 6042AA [0,0,0,0,0,1|3,0,0]=4 139 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 7814AH [0,0,0,0,0,1|3,0,0]=4 140 B10R1.113 O=C(O)C1=CN=CC(I)=C1 Z4205 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.113 O=C(O)C1=NC=CC(F)=C1 W9141 [0,0,0,0,0,1|2,0,0]=3 142 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 6772AE [0,0,0,0,0,1|2,0,1]=4 143 B7R1.1 CCC1=NNC=C1 6654AA [2,0,0,0,0,0|1,0,1]=4 144 B7R1.1 O=CC1=CC=C[Se]1 5634AL [2,0,0,0,0,0|2,0,0]=4 145 B7R1.1 O=CC1=CNN=N1 Z5678 [2,0,0,0,0,0|1,0,1]=4 146 B7R1.1 O=CC1=NC=CO1 7478AE [2,0,0,0,0,0|2,0,0]=4 147 B7R1.1 OCC1=NNC=C1 X6393 [2,0,0,0,0,0|0,0,1]=3 148 B7R1.2 CC1=NC(Br)=NN1 8783AD [2,0,0,0,0,0|2,0,0]=4 149 B7R1.2 CC1=NC(Cl)=NN1 4748AD [2,0,0,0,0,0|2,0,0]=4 150 B7R1.2 CC1=NNC(Br)=C1 Z4899 [2,0,0,0,0,0|1,0,1]=4 151 B7R1.2 NC1=CC(N)=NN1 8122AA [2,0,0,0,0,0|2,0,0]=4 152 B7R1.2 OC1=NSC(Cl)=C1 Z4502 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.21 CCC1=NNC(C=O)=C1 5334AH [1,1,0,0,0,0|0,0,2]=4 154 B9R1.22 CC1=CC(C=O)=C(C)N1 V4423 [1,1,0,0,0,0|1,0,0]=3 155 B9R1.22 CC1=NC(C=O)=C(C)N1 0528AC [1,1,0,0,0,0|2,0,0]=4 156 B9R1.23 CC1=C(C)SC(C=O)=C1 0832AQ [1,1,0,0,0,0|2,0,0]=4 157 B9R1.23 CC1=CC(C=O)=NN1C Y8435 [1,1,0,0,0,0|0,0,0]=2 158 B9R1.23 CC1=CC(CCl)=NN1C Z2645 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.132 CC1=C(C=O)N=CN1C 4635AH [1,1,0,0,0,0|2,0,0]=4 160 B9R1.132 CC1=CNC(C=O)=C1C 6636AD [1,1,0,0,0,0|1,0,1]=4 161 B9R1.132 CC1=NNC(C=O)=C1Cl 5598AH [1,1,0,0,0,0|0,0,2]=4 162 B9R1.132 CCC1=NNC(C)=C1Br 8992AE [1,1,0,0,0,0|1,0,1]=4 163 B9R1.11 COC(=O)C1=CNN=C1 9533AA [1,1,0,0,0,0|2,0,0]=4 164 B9R1.11 COC(=O)C1=NC=CO1 3452AB [1,1,0,0,0,0|2,0,0]=4 165 B9R1.41 CC1=C(C(=O)O)NC=C1 W9332 [1,1,0,0,0,0|1,0,1]=4 166 B9R1.41 CC1=C(C(=O)O)ON=C1 2244AB [1,1,0,0,0,0|1,0,1]=4 167 B9R1.41 CC1=CON=C1C(=O)O 0980AB [1,1,0,0,0,0|1,0,0]=3 168 B9R1.41 O=C(O)C1=C(Br)OC=C1 Z5486 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.41 O=C(O)C1=C(I)C=NN1 W7746 [1,1,0,0,0,0|0,0,2]=4 170 B9R1.41 O=[N+]([O-])C1=NNC=C1I 5310AB [1,1,0,0,0,0|1,0,1]=4 171 B11R1.3 COC1=CN=C(C(N)=O)C=C1 V8588 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.3 COC1=NC=C(C(=O)O)C=N1 Z0528 [0,1,0,0,0,1|1,0,1]=4 173 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 2161AC [0,1,0,0,0,1|1,0,1]=4 174 B11R1.21 CC(=O)C1=CN=C(C)C(C)=N1 7817AB [0,1,0,0,0,1|2,0,0]=4 175 B11R1.21 CC1=C(C)N=C(C(N)=O)C=N1 4144AB [0,1,0,0,0,1|2,0,0]=4 176 B11R1.21 CC1=CC(C(=O)O)=CNC1=O 0272AC [0,1,0,0,0,1|2,0,0]=4 177 B11R1.21 CC1=CC=C(C(=O)O)N=C1C 2856AC [0,1,0,0,0,1|1,0,0]=3 178 B11R1.21 CC1=CC=C(C(=O)O)NC1=O 2494AA [0,1,0,0,0,1|1,0,1]=4 179 B11R1.21 CN1N=C(C(=O)O)CCC1=O 0589AE [0,1,0,0,0,1|1,0,1]=4 180 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 4575AC [0,1,0,0,0,1|2,0,0]=4 181 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 X3304 [0,1,0,0,0,1|2,0,0]=4 182 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 1126AD [0,1,0,0,0,1|2,0,0]=4 183 B11R1.21 O=C(O)C1=NC(F)=C(F)C=C1 Y4247 [0,1,0,0,0,1|2,0,0]=4 184 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 1343AA [0,1,0,0,0,1|2,0,0]=4 185 B11R1.22 CC1=CN=C(C(=O)NN)C=N1 1913AE [0,1,0,0,0,1|2,0,0]=4 186 B11R1.22 COC(=O)C1=CN=C(C)N=C1 5600AE [0,1,0,0,0,1|1,0,1]=4 187 B11R1.22 COC(=O)C1=CNC(=O)N=C1 6987AB [0,1,0,0,0,1|2,0,0]=4 188 B11R1.22 COC(=O)C1=NC=C(F)C=N1 7118AJ [0,1,0,0,0,1|2,0,0]=4 189 B11R1.22 COC(=O)C1=NC=C(N)C=N1 3573AL [0,1,0,0,0,1|2,0,0]=4 190 B11R1.22 COC(=O)C1=NN=C(C)C=C1 8321AC [0,1,0,0,0,1|0,0,1]=3 191 B11R1.22 COC(=O)C1=NNC(=O)CC1 2351AF [0,1,0,0,0,1|1,0,1]=4 192 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 1357AA [0,1,0,0,0,1|1,0,1]=4 193 B11R1.166 CC1=CC(N)=C(C(N)=O)N=C1 1002AD [0,1,0,0,0,1|2,0,0]=4 194 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 1620AJ [0,1,0,0,0,1|1,0,1]=4 195 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 Z5384 [0,1,0,0,0,1|1,0,0]=3 196 B11R1.166 CC1=NC=C(C(=O)O)C(=O)N1 6219AD [0,1,0,0,0,1|1,0,0]=3 197 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 5812AC [0,1,0,0,0,1|1,0,1]=4 198 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 X9715 [0,1,0,0,0,1|1,0,1]=4 199 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 7647AB [0,1,0,0,0,1|2,0,0]=4 200 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F Y8203 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.166 O=C(O)C1=NNC(=S)NC1=O 8961AE [0,1,0,0,0,1|1,0,0]=3 202 B11R1.39 CC1=CC(NC(=O)CBr)=NO1 3492AF [0,1,0,0,0,1|2,0,0]=4 203 B11R1.39 CC1=CC(NC(=O)CCl)=NO1 6443AE [0,1,0,0,0,1|2,0,0]=4 204 B11R1.80 CC1=CC(CC(=O)O)=NN1C Z2016 [0,1,0,0,0,1|0,0,0]=2 205 B11R1.314 N[C@H](C(=O)O)C1=CC(=O)NO1 V0233 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.645 CC1=NN(C)C(CC(=O)O)=C1 7746AJ [0,1,0,0,0,1|0,0,2]=4 207 B11R1.23 COC(=O)C1=CC(N)=NC=N1 2200AC [0,1,0,0,0,1|1,0,1]=4 208 B11R1.23 COC(=O)C1=CN=CC(O)=C1 7119AJ [0,1,0,0,0,1|2,0,0]=4 209 B11R1.23 COC(=O)C1=NC=CC(C)=N1 Z4587 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.23 COC(=O)C1=NC=CC(O)=C1 4279AJ [0,1,0,0,0,1|2,0,0]=4 211 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 4513AC [0,1,0,0,0,1|2,0,0]=4 212 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 3341AC [0,1,0,0,0,1|1,0,1]=4 213 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 Z4314 [0,1,0,0,0,1|1,0,0]=3 214 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 X4379 [0,1,0,0,0,1|1,0,0]=3 215 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=N1 4834AC [0,1,0,0,0,1|0,0,1]=3 216 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 3141AB [0,1,0,0,0,1|2,0,0]=4 217 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 Y0526 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.74 O=C1C=C(C(=O)O)C=C(Cl)N1 9048AF [0,1,0,0,0,1|2,0,0]=4 219 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O Z0772 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.159 CC1=C(C(=O)O)C=NC=C1N 3079AJ [0,1,0,0,0,1|2,0,0]=4 221 B11R1.159 CC1=C([O-])C(C(=O)O)=CC=C1 3660AB [0,1,0,0,0,1|2,0,0]=4 222 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O Z4830 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I 0608AQ [0,1,0,0,0,1|2,0,0]=4 224 B11R1.159 O=C(O)C1=CN=CC(Cl)=C1Cl 4093AE [0,1,0,0,0,1|2,0,0]=4 225 B11R1.159 O=C(O)C1=NC=NC(O)=C1O 3047AJ [0,1,0,0,0,1|1,0,1]=4 226 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl 1794AF [0,1,0,0,0,1|2,0,0]=4 227 B11R1.167 CC1=C(C(=O)O)C=C(I)C=N1 0904AQ [0,1,0,0,0,1|2,0,0]=4 228 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 1797AA [0,1,0,0,0,1|2,0,0]=4 229 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 X7039 [0,1,0,0,0,1|1,0,0]=3 230 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 Y3581 [0,1,0,0,0,1|1,0,0]=3 231 B11R1.167 CC1=NC=C(Cl)C(C(=O)O)=C1 Z3850 [0,1,0,0,0,1|1,0,1]=4 232 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O Y5175 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.167 CC1=NC=C(N)C(C(=O)O)=C1 4148AC [0,1,0,0,0,1|1,0,1]=4 234 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 Y9983 [0,1,0,0,0,1|1,0,0]=3 235 B11R1.167 NC1=C(C(=O)O)C=C(F)C=N1 Z8105 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.167 O=C(O)C1=CC(Cl)=NN=C1O W6594 [0,1,0,0,0,1|1,0,1]=4 237 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 0646AE [0,1,0,0,0,1|1,0,1]=4 238 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 3929AC [0,1,0,0,0,1|1,0,1]=4 239 B11R1.266 COC1=CN=CC(C(C)=O)=C1 X7999 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.266 N#CC1=CC(C(=O)O)=CN=C1 4593AC [0,1,0,0,0,1|1,0,1]=4 241 B11R1.15 CCOC(=O)C1=CN(C)N=N1 5075AB [0,2,0,0,0,0|1,0,1]=4 242 B11R1.15 CCOC(=O)C1=NC=C(C)S1 8637AB [0,2,0,0,0,0|2,0,0]=4 243 B11R1.15 CCOC(=O)C1=NOC(N)=C1 6626AB [0,2,0,0,0,0|2,0,0]=4 244 B11R1.44 CCC1=NNC(C(=O)OC)=C1 W8669 [0,2,0,0,0,0|0,0,2]=4 245 B11R1.44 CNC(=O)C1=NOC(CO)=C1 0766AB [0,2,0,0,0,0|2,0,0]=4 246 B11R1.44 COC(=O)C1=CC(CBr)=CS1 7965AB [0,2,0,0,0,0|2,0,0]=4 247 B11R1.44 COC(=O)C1=CC(CO)=CS1 2656AC [0,2,0,0,0,0|2,0,0]=4 248 B11R1.225 CC1=CC(C(=O)CCl)=C(C)N1 1634AJ [0,2,0,0,0,0|2,0,0]=4 249 B11R1.225 COC(=O)C1=C(Br)SC(C)=C1 Y4795 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.225 COC(=O)C1=CC(=O)NN1C 7480AB [0,2,0,0,0,0|1,0,1]=4 251 B11R1.225 COC(=O)C1=CC(C)=NN1C W9909 [0,2,0,0,0,0|0,0,2]=4 252 B11R1.865 COC(=O)C1=CSC(C)=C1N 2645AC [0,2,0,0,0,0|2,0,0]=4 253 B11R1.865 COC(=O)C1=NNC(Br)=C1Br Z7250 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.865 COC(=O)C1=NNC(C)=C1Br 4448AA [0,2,0,0,0,0|0,0,0]=2 255 B11R1.48 CCC1=C(C)C=C(C(=O)O)S1 5555AB [0,2,0,0,0,0|2,0,0]=4 256 B11R1.48 CCC1=CC(C(=O)O)=NN1C 8415AA [0,2,0,0,0,0|0,0,0]=2 257 B11R1.124 CCCC1=CC(C(=O)O)=CS1 1721AF [0,2,0,0,0,0|2,0,0]=4 258 B11R1.124 CCCC1=CC(C(N)=O)=NN1 6387AJ [0,2,0,0,0,0|1,0,0]=3 259 B11R1.124 CCCC1=NC(C(=O)O)=CN1 5565AD [0,2,0,0,0,0|2,0,0]=4 260 B11R1.124 CCCN1C=NC(C(=O)O)=C1 7431AA [0,2,0,0,0,0|2,0,0]=4 261 B11R1.175 CC(=O)C1=CC(C(=O)O)=NO1 7186AA [0,2,0,0,0,0|1,0,0]=3 262 B11R1.175 CC(C)C1=CN=C(C(=O)O)S1 2930AA [0,2,0,0,0,0|2,0,0]=4 263 B11R1.175 CC(C)C1=NOC(C(=O)O)=C1 4454AD [0,2,0,0,0,0|1,0,1]=4 264 B11R1.175 O=C(O)C1=CNC(C(=O)O)=C1 5937AC [0,2,0,0,0,0|1,0,1]=4 265 B11R1.473 CCC1=C(C)C(C(=O)O)=NN1 8619AC [0,2,0,0,0,0|0,0,0]=2 266 B11R1.672 CC1=C(N)C(C(N)=O)=NN1C 5556AH [0,2,0,0,0,0|1,0,0]=3 267 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl 4599AF [0,2,0,0,0,0|0,0,2]=4 268 B11R1.64 CCC1=C(C)SC=C1C(=O)O 1763AF [0,2,0,0,0,0|2,0,0]=4 269 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [1,0,0,0,0,1|2,0,0]=4 270 B9R1.2 CC1=CC(CO)=NC=C1 Z4739 [1,0,0,0,0,1|1,0,1]=4 271 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [1,0,0,0,0,1|2,0,0]=4 272 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [1,0,0,0,0,1|1,0,1]=4 273 B9R1.2 O=CC1=CC(I)=CN=C1 1479AF [1,0,0,0,0,1|2,0,0]=4 274 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [1,0,0,0,0,1|1,0,1]=4 275 B9R1.13 O=C(O)CC1=CNC=C1 3621AC [1,0,0,0,0,1|1,0,0]=3 276 B9R1.13 O=C(O)CC1=CSC=N1 5235AJ [1,0,0,0,0,1|2,0,0]=4 277 B9R1.13 O=C(O)CC1=NC=CN1 9876AA [1,0,0,0,0,1|2,0,0]=4 278 B9R1.13 O=C(O)CC1=NC=CS1 W4072 [1,0,0,0,0,1|2,0,0]=4 279 B9R1.13 O=C(O)CC1=NNC=C1 1006AJ [1,0,0,0,0,1|0,0,0]=2 280 B9R1.13 O=C(O)CC1=NNC=C1 1007AJ [1,0,0,0,0,1|0,0,0]=2 281 B11R1.20 CC(=O)NC1=NC=C(C)C=C1 Y9207 [0,0,0,0,0,2|2,0,0]=4 282 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [0,0,0,0,0,2|1,0,1]=4 283 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 W8749 [0,0,0,0,0,2|1,0,0]=3 284 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 9998AA [0,0,0,0,0,2|2,0,0]=4 285 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 X9387 [0,0,0,0,0,2|2,0,0]=4 286 B11R1.75 CC1=CN(CCC(=O)O)N=C1 4635AE [0,0,0,0,0,2|2,0,0]=4 287 B11R1.157 CC(=O)CC1=NC=CC(C)=C1 3153AE [0,0,0,0,0,2|2,0,0]=4 288 B11R1.157 CC(=O)NC1=NN=CC(C)=C1 5766AJ [0,0,0,0,0,2|1,0,1]=4 289 B11R1.157 O=C(O)CC1=CC(O)=NC=N1 8845AC [0,0,0,0,0,2|1,0,1]=4