0 B9R1.22 CC1=C(C=O)N=C(N)S1 A41053 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.22 CC1=C(C=O)SC(Br)=N1 B40845 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.22 CC1=NC(Br)=C(CBr)S1 B40988 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.22 CC1=NC(C)=C(C=O)N1 D39065 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.22 CC1=NC(C)=C(CO)S1 D43393 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.22 CC1=NN(C)C(CCl)=C1 C1040 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.22 CC1=NN(C)C(CO)=C1 D3957 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.22 CC1=NN(C)C=C1C=O D9711 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.22 CC1=NN(C)C=C1CN D23506 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 D40291 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.22 O=CC1=C(Br)N=C(Br)S1 D40289 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 D2688 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 D40065 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 CC1=CC(C=O)=CS1 M29797 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.1 CC1=CC=C(C#N)S1 M12843 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.1 CC1=CC=C(C=O)N1 M43134 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.1 CC1=CC=C(C=O)S1 M39272 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.1 CC1=CN=C(C=O)S1 M19270 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.1 CC1=NC(C=O)=CO1 M3278 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.1 CC1=NC(C=O)=CS1 F2075 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.1 CC1=NC=C(C=O)S1 F2897 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.1 CC1=NC=C(CBr)S1 B41111 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.1 CC1=NC=C(CN)O1 M41197 [1,0,0,0,0,0|1,1,1]=4 25 B8R1.1 CC1=NC=C(CO)O1 M37561 [1,0,0,0,0,0|1,1,1]=4 26 B8R1.1 CC1=NC=C(CO)S1 M1967 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.1 CC1=NN=C(C=O)O1 M36607 [1,0,0,0,0,0|2,1,0]=4 28 B8R1.1 CC1=NN=C(CCl)S1 M66901 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.1 CC1=NOC(C=O)=N1 M36862 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.1 CCC1=CN=C(C)N1 E41428 [1,0,0,0,0,0|1,0,2]=4 32 B8R1.1 CCC1=CN=C(N)S1 E41203 [1,0,0,0,0,0|1,0,2]=4 33 B8R1.1 CCC1=CN=C(N)S1 E69753 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.1 CN1C=C(C=O)C=N1 M6127 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.1 CSC1=CN=C(N)S1 M40191 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.1 ClCC1=CN=C(Cl)S1 C2059 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.1 N#CC1=CN=C(Br)S1 B36697 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 N#CC1=CN=C(Cl)S1 C3295 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.1 NC1=NC=C(C=O)S1 A2114 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.1 NC1=NC=C(C=O)S1 A40321 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.1 NC1=NC=C(CO)S1 A40187 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.1 NCC1=CN=C(Cl)S1 C40120 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.1 O=CC1=CN=C(Br)S1 B2119 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.1 O=CC1=CN=C(Cl)S1 C5784 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.1 OCC1=CN=C(Br)S1 B2127 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.11 CC1=C(C=O)N=CN1 M41031 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.11 CC1=C(C=O)N=CS1 M41008 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.11 CC1=C(C=O)NC=C1 M63105 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.11 CC1=C(C=O)SC=C1 M39271 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.11 CC1=C(C=O)SC=N1 M41007 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.11 CC1=C(CCl)NC=N1 C2452 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.11 CC1=C(CO)NC=N1 H2822 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.11 CC1=NNC=C1C=O M5838 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.11 CN1N=CC=C1C=O M12515 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.11 O=CC1=C(Cl)N=CS1 C40016 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.11 OCC1=C(Br)N=CS1 B38277 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.18 CC1=C(Br)N=C(Br)S1 D37493 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.18 CC1=C(Br)N=C(N)S1 B67359 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.18 CC1=C(Br)NC(Br)=N1 D40071 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.18 CC1=C(Br)SC(Br)=C1 D40697 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.18 CC1=C(Br)SC(Br)=N1 D3449 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.18 CC1=C(Br)SC(N)=N1 A2767 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.18 CC1=C(Br)SC(N)=N1 A3604 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.18 CC1=C(C)NC(N)=N1 D41246 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.18 CC1=C(C)SC(Br)=N1 B37797 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.18 CC1=C(C)SC(N)=N1 D41205 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.18 CC1=C(C)SC(N)=N1 D41367 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D40698 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.18 CC1=C(Cl)SC(N)=N1 A2766 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.18 CC1=CC(C)=NN1C T41425 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [1,0,0,0,0,0|0,1,1]=3 78 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.18 CC1=NN(C)C=C1Br B12747 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.18 CC1=NN(C)C=C1I K41135 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.18 CC1=NN(C)C=C1N A10473 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.18 CC1=NN(C)C=C1N D41244 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.18 CC1=NN(C)N=C1Br B39014 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.34 CC1=C(Br)C(C)=C(C=O)N1 B46180 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.35 CSC1=NC(N)=C(C#N)S1 A62622 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 D46833 [0,1,0,0,0,0|1,1,1]=4 91 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 B62817 [0,1,0,0,0,0|1,0,1]=3 92 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 D46440 [0,1,0,0,0,0|0,0,1]=2 93 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 D46406 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.59 CC(=O)C1=CC(C)=NN1C D1042 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 B40834 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 A41039 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 D62561 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 P64574 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 D43161 [0,1,0,0,0,0|1,1,0]=3 100 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 D43157 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 D3961 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 D43358 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.59 CC1=NN(C)C=C1C(=O)O D12015 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 D37488 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 D40287 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.256 CC1=NN(C)C(C)=C1C=O T43648 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.256 CC1=NN(C)C(Cl)=C1C=O C43078 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.8 CC1=CC(C#N)=CC(C)=N1 D48789 [0,0,0,0,0,1|2,0,1]=4 109 B10R1.8 CC1=CC(C)=CC(C=O)=C1 D49876 [0,0,0,0,0,1|3,0,0]=4 110 B10R1.8 CC1=CC(C=O)=CC(C)=N1 D38336 [0,0,0,0,0,1|2,0,0]=3 111 B10R1.8 CC1=CC(CCl)=CC(C)=N1 C37487 [0,0,0,0,0,1|2,0,1]=4 112 B10R1.8 CC1=CC(CO)=CC(C)=N1 D3612 [0,0,0,0,0,1|2,0,1]=4 113 B10R1.8 COC1=NC(C)=NC(C)=C1 M43636 [0,0,0,0,0,1|2,0,1]=4 114 B10R1.25 CC1=C(C=O)C=CC(Cl)=N1 C45486 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.25 CC1=C(C=O)C=CC(F)=N1 F45499 [0,0,0,0,0,1|3,0,0]=4 116 B10R1.25 CC1=CC(C)=C(C=O)C=C1 D49874 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.25 CC1=CC(C)=C(C=O)C=N1 D49261 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.25 CC1=CC=C(C=O)C(Cl)=N1 C45484 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.25 CC1=NC(C)=C(CO)C=C1 D64003 [0,0,0,0,0,1|2,0,1]=4 120 B10R1.30 CC1=CC(C=O)=C(Br)C=N1 B63912 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.30 CC1=CC(C=O)=C(C)C=C1 D38715 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.30 CC1=CN=C(C)C(C#N)=N1 D45730 [0,0,0,0,0,1|2,0,1]=4 123 B7R1.1 C=CC1=CC=CS1 V38168 [2,0,0,0,0,0|1,0,0]=3 124 B7R1.1 C=CC1=NC=CS1 V41009 [2,0,0,0,0,0|2,0,0]=4 125 B7R1.1 ClCC1=CN=CS1 C32421 [2,0,0,0,0,0|1,0,1]=4 126 B7R1.1 N#CC1=CN=CS1 T39999 [2,0,0,0,0,0|1,0,1]=4 127 B7R1.1 NCC1=CN=CS1 T11225 [2,0,0,0,0,0|1,0,1]=4 128 B7R1.1 NCC1=CN=CS1 T37607 [2,0,0,0,0,0|1,0,1]=4 129 B7R1.1 NCC1=CN=CS1 T40190 [2,0,0,0,0,0|1,0,1]=4 130 B7R1.1 O=CC1=CC=CS1 T68614 [2,0,0,0,0,0|2,0,0]=4 131 B7R1.1 O=CC1=CN=CO1 X11928 [2,0,0,0,0,0|1,1,0]=4 132 B7R1.1 O=CC1=CN=CS1 T2161 [2,0,0,0,0,0|1,0,0]=3 133 B7R1.1 OCC1=CN=CS1 T2166 [2,0,0,0,0,0|1,0,1]=4 134 B7R1.2 BrC1=CN=C(Br)S1 D2697 [2,0,0,0,0,0|2,0,0]=4 135 B7R1.2 BrC1=CSC(Br)=N1 D2472 [2,0,0,0,0,0|2,0,0]=4 136 B7R1.2 CC1=CC(Br)=CS1 B40867 [2,0,0,0,0,0|2,0,0]=4 137 B7R1.2 CC1=CC=C(Br)S1 B40865 [2,0,0,0,0,0|2,0,0]=4 138 B7R1.2 CC1=CC=C(C)S1 D43320 [2,0,0,0,0,0|1,0,1]=4 139 B7R1.2 CC1=CC=C(I)S1 K40868 [2,0,0,0,0,0|2,0,0]=4 140 B7R1.2 CC1=CN=C(Br)S1 B40104 [2,0,0,0,0,0|1,0,1]=4 141 B7R1.2 CC1=CN=C(C)S1 D38993 [2,0,0,0,0,0|0,0,1]=3 142 B7R1.2 CC1=CN=C(Cl)S1 C1978 [2,0,0,0,0,0|1,0,1]=4 143 B7R1.2 CC1=CN=C(N)S1 A69715 [2,0,0,0,0,0|1,0,1]=4 144 B7R1.2 CC1=CN=C(N)S1 M69725 [2,0,0,0,0,0|1,0,1]=4 145 B7R1.2 CC1=CNC(Br)=N1 B40115 [2,0,0,0,0,0|2,0,0]=4 146 B7R1.2 CC1=CNC(C)=N1 D41187 [2,0,0,0,0,0|1,0,0]=3 147 B7R1.2 CC1=CNC(I)=N1 K40123 [2,0,0,0,0,0|2,0,0]=4 148 B7R1.2 CC1=COC(N)=N1 A2053 [2,0,0,0,0,0|1,1,0]=4 149 B7R1.2 CC1=CSC(Br)=N1 B2087 [2,0,0,0,0,0|1,0,0]=3 150 B7R1.2 CC1=CSC(C)=N1 D41174 [2,0,0,0,0,0|0,0,0]=2 151 B7R1.2 CC1=CSC(N)=C1 A0597 [2,0,0,0,0,0|2,0,0]=4 152 B7R1.2 CC1=NC(Br)=CN1 B2121 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.2 CC1=NC(Br)=CS1 B2069 [2,0,0,0,0,0|1,0,0]=3 154 B7R1.2 CC1=NC=C(Br)S1 B5222 [2,0,0,0,0,0|1,0,0]=3 155 B7R1.2 CC1=NC=C(I)N1 K40124 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.2 CC1=NC=C(N)S1 M40189 [2,0,0,0,0,0|1,0,0]=3 157 B7R1.2 CC1=NN(C)C=C1 D4115 [2,0,0,0,0,0|2,0,0]=4 158 B7R1.2 CC1=NN=C(Br)S1 B39816 [2,0,0,0,0,0|2,0,0]=4 159 B7R1.2 CC1=NN=C(N)S1 A39857 [2,0,0,0,0,0|2,0,0]=4 160 B7R1.2 CC1=NNC(=S)S1 M68580 [2,0,0,0,0,0|2,0,0]=4 161 B7R1.2 CC1=NSC(Br)=N1 B39817 [2,0,0,0,0,0|2,0,0]=4 162 B7R1.2 CC1=NSC(Cl)=N1 C39820 [2,0,0,0,0,0|2,0,0]=4 163 B7R1.2 CC1=NSC(N)=N1 A39858 [2,0,0,0,0,0|2,0,0]=4 164 B7R1.2 ClC1=CN=C(Br)S1 B15574 [2,0,0,0,0,0|2,0,0]=4 165 B7R1.2 ClC1=CN=C(Cl)S1 D15573 [2,0,0,0,0,0|2,0,0]=4 166 B7R1.2 ClC1=CSC(Br)=N1 B37462 [2,0,0,0,0,0|2,0,0]=4 167 B7R1.2 ClC1=CSC(Cl)=N1 D23613 [2,0,0,0,0,0|2,0,0]=4 168 B7R1.2 ClC1=NC(Br)=CS1 B5835 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.2 ClC1=NC=C(Br)S1 B1397 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.2 FC1=CN=C(Br)S1 B15575 [2,0,0,0,0,0|2,0,0]=4 171 B7R1.2 NC1=CSC(N)=N1 T39915 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.2 NC1=NC(Br)=CS1 A23949 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.2 NC1=NC(O)=CS1 A39839 [2,0,0,0,0,0|2,0,0]=4 174 B7R1.2 NC1=NC=C(Br)S1 B22934 [2,0,0,0,0,0|2,0,0]=4 175 B7R1.2 NC1=NC=C(Br)S1 D2473 [2,0,0,0,0,0|2,0,0]=4 176 B7R1.2 NC1=NC=C(Cl)S1 C12061 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.2 NC1=NC=C(F)S1 F24712 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.2 NC1=NC=C(F)S1 F8188 [2,0,0,0,0,0|2,0,0]=4 179 B7R1.2 OC1=NC(Br)=CS1 B39814 [2,0,0,0,0,0|2,0,0]=4 180 B7R1.4 CC1=C(Br)N=CS1 B61015 [2,0,0,0,0,0|1,0,1]=4 181 B7R1.4 CC1=C(Br)NC=N1 B40116 [2,0,0,0,0,0|2,0,0]=4 182 B7R1.4 CC1=C(Br)SC=C1 B12699 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.4 CC1=C(Br)SC=N1 B5072 [2,0,0,0,0,0|1,0,0]=3 184 B7R1.4 CC1=C(C)NC=N1 D41358 [2,0,0,0,0,0|1,0,1]=4 185 B7R1.4 CC1=C(C)NC=N1 D43581 [2,0,0,0,0,0|1,0,1]=4 186 B7R1.4 CC1=C(C)SC=N1 D41175 [2,0,0,0,0,0|0,0,1]=3 187 B7R1.4 CC1=C(Cl)SC=C1 C39173 [2,0,0,0,0,0|2,0,0]=4 188 B7R1.4 CC1=C(I)NC=N1 K40125 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.21 COC1=NC=C(C=O)S1 M40995 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [1,1,0,0,0,0|1,0,1]=4 191 B9R1.35 CC(=O)C1=CN=C(Br)S1 B32437 [1,1,0,0,0,0|1,0,1]=4 192 B9R1.35 CC(=O)C1=CN=C(N)S1 A41052 [1,1,0,0,0,0|1,0,1]=4 193 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [1,1,0,0,0,0|1,1,0]=4 195 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [1,1,0,0,0,0|1,0,0]=3 196 B9R1.35 CC1=NN=C(C(=O)[O-])S1 L40037 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.35 NC(=O)C1=CN=C(Br)S1 B40041 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.35 NC1=NC=C(C(=O)O)S1 A3492 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.35 O=C(O)C1=CN=C(Br)S1 B2125 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.35 O=C(O)C1=CN=C(Cl)S1 C2765 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.132 CC1=NC=C(C=O)N1C D61627 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.27 CC1=C(C=O)N(C)C=N1 D36814 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.33 CC1=C(CCN)SC=N1 M3229 [1,1,0,0,0,0|0,0,2]=4 204 B9R1.33 CC1=C(CCO)SC=N1 M68882 [1,1,0,0,0,0|0,0,2]=4 205 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [1,1,0,0,0,0|0,0,1]=3 206 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [1,1,0,0,0,0|1,1,0]=4 207 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.41 CC1=C(C(=O)O)SC=N1 M67956 [1,1,0,0,0,0|1,0,0]=3 209 B9R1.41 CC1=C(C(=O)O)SN=N1 M40076 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.9 COC1=NC(C)=CC(C=O)=C1 M32240 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 D24167 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 D46013 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 D61273 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 D46016 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 D46014 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 E46419 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.50 CNC1=NC(C)=C(C(C)=O)S1 M43687 [0,2,0,0,0,0|0,0,1]=3 218 B11R1.225 COC(=O)C1=C(C)N=C(N)S1 M43241 [0,2,0,0,0,0|1,0,1]=4 219 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 D29808 [0,2,0,0,0,0|0,0,1]=3 220 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [0,0,1,1,0,0|2,0,0]=4 221 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [0,0,1,1,0,0|2,0,0]=4 222 B9R1.69 CC1=NC(C)=C(Br)C=N1 B42971 [0,0,1,1,0,0|2,0,0]=4 223 B9R1.69 CC1=NC(C)=C(N)C=N1 D43336 [0,0,1,1,0,0|2,0,0]=4 224 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [0,0,1,1,0,0|2,0,0]=4 225 B9R1.69 CC1=NC(C)=C(O)C=N1 D43192 [0,0,1,1,0,0|2,0,0]=4 226 B9R1.34 CC1=CC(Br)=CC(C)=N1 B32225 [0,0,1,1,0,0|2,0,0]=4 227 B9R1.34 CC1=CC(Br)=NC(C)=N1 B42970 [0,0,1,1,0,0|2,0,0]=4 228 B9R1.34 CC1=CC(C)=NC(C)=C1 T69125 [0,0,1,1,0,0|1,0,1]=4 229 B9R1.34 CC1=CC(Cl)=CC(C)=N1 C36740 [0,0,1,1,0,0|2,0,0]=4 230 B9R1.34 CC1=CC(Cl)=NC(C)=N1 C23724 [0,0,1,1,0,0|2,0,0]=4 231 B9R1.34 CC1=CC(N)=CC(C)=N1 D3945 [0,0,1,1,0,0|2,0,0]=4 232 B9R1.34 CC1=CC(O)=NC(C)=N1 D43193 [0,0,1,1,0,0|2,0,0]=4 233 B9R2.3 C1=CC2=C(C=CS2)S1 T4822 [1,0,0,1,0,0|2,0,0]=4 234 B11R2.36 CC1=NC2=C(C=CN2)C=N1 M45731 [0,0,0,1,0,1|2,0,0]=4 235 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 B44414 [0,1,0,1,0,0|1,0,1]=4 236 B11R2.10 BrC1=NC2=C(N=CC=C2)S1 B23598 [0,1,0,1,0,0|1,0,1]=4 237 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [0,1,0,1,0,0|1,0,1]=4 238 B11R2.10 CC1=NC2=C(C=CC=C2)O1 M63131 [0,1,0,1,0,0|0,1,1]=4 239 B11R2.10 CC1=NC2=C(C=CC=C2)S1 M39486 [0,1,0,1,0,0|0,0,1]=3 240 B11R2.10 CC1=NC2=C(C=CC=N2)O1 M38652 [0,1,0,1,0,0|0,1,1]=4 241 B11R2.10 CC1=NC2=C(CNCC2)S1 T43688 [0,1,0,1,0,0|0,0,2]=4 242 B11R2.10 CC1=NC2=NC=CC=C2N1 M45728 [0,1,0,1,0,0|1,0,1]=4 243 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 C39328 [0,1,0,1,0,0|1,0,1]=4 244 B11R2.10 ClC1=NC2=C(C=CC=N2)S1 C32167 [0,1,0,1,0,0|1,0,1]=4 245 B11R2.10 ClC1=NC2=C(C=CN=C2)S1 C41830 [0,1,0,1,0,0|1,0,1]=4 246 B11R2.10 ClC1=NC2=C(N=CC=C2)S1 C26456 [0,1,0,1,0,0|1,0,1]=4 247 B11R2.10 ClC1=NC2=C(N=CC=N2)S1 C40488 [0,1,0,1,0,0|2,0,0]=4 248 B11R2.10 IC1=NC2=C(C=CC=C2)S1 K44444 [0,1,0,1,0,0|1,0,1]=4 249 B11R2.10 NC1=NC2=C(C=CC=N2)S1 T18969 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [1,0,0,0,0,1|1,0,0]=3 251 B9R1.1 C=CC1=CN=C(Cl)N=C1 C18596 [1,0,0,0,0,1|2,0,0]=4 252 B9R1.1 C=CC1=CN=C(F)C=C1 E16703 [1,0,0,0,0,1|2,0,0]=4 253 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [1,0,0,0,0,1|2,0,0]=4 254 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [1,0,0,0,0,1|2,0,0]=4 255 B9R1.1 CC1=NC=C(C=O)C=N1 M12382 [1,0,0,0,0,1|2,0,0]=4