0 B9R1.22 CC1=C(C#N)SC(Br)=C1 AT24489 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.22 CC1=C(C=O)N=C(Br)S1 AT15268 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.22 CC1=C(C=O)N=C(Cl)S1 F12184 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.22 CC1=C(CBr)SC(Br)=N1 AT15035 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.22 CC1=CC(C#N)=C(C)O1 AT17526 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.22 CC1=CC(CCl)=C(C)S1 AT17067 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.22 CC1=CC(CN)=C(C)O1 AT17533 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.22 CC1=CC(CN)=C(C)O1 AT17544 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.22 CC1=CC(CN)=C(C)S1 AT16798 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.22 CC1=CC(CO)=C(C)S1 AT16768 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.22 CC1=NC(C)=C(CCl)N1 AT15570 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.22 CC1=NC(C)=C(CCl)O1 88379 [0,0,0,0,0,0|1,1,1]=3 13 B9R1.22 CC1=NC(C)=C(CN)S1 AC4653 [0,0,0,0,0,0|1,0,1]=2 14 B9R1.22 CC1=NC(C=O)=C(Br)S1 C15352 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.22 CC1=NC(C=O)=C(C)O1 S11308 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.22 CC1=NC(C=O)=C(C)S1 AT15238 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.22 CC1=NC(CBr)=C(C)S1 AT15282 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.22 CC1=NC(CCl)=C(C)O1 AT18616 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.22 CC1=NC(CCl)=C(C)S1 AT15305 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.22 CC1=NN(C)C(CCl)=N1 AT12165 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.22 CC1=NN(C)C=C1CCl AT16096 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.22 CC1=NN(C)C=C1CO AT14447 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.22 CCC1=C(C)N=C(N)S1 O11427 [0,0,0,0,0,0|1,0,2]=3 24 B9R1.22 CN1C=C(C=O)C(Br)=N1 AT14265 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.22 CN1C=C(C=O)C(F)=N1 P20550 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.22 CN1C=C(C=O)C(I)=N1 AT14267 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.22 CN1C=C(C=O)C(O)=N1 AT14009 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.22 CN1N=C(Br)C(C=O)=N1 95940 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.22 CNC1=CC(C)=NN1C 71734 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.22 COC1=C(Br)N=C(C)S1 AT14999 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.22 N#CC1=C(Cl)N=C(N)S1 AT15207 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 25589 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.1 CC1=NC=C(CCl)O1 C77476 [1,0,0,0,0,0|1,1,1]=4 34 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.1 CC1=NC=C(CO)N1 W10507 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.1 CC1=NC=C(CO)O1 F12980 [1,0,0,0,0,0|1,1,1]=4 37 B8R1.1 CC1=NN=C(CN)S1 AT18920 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 CC1=NNC(C=O)=C1 79805 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.1 CC1=NSC(C=O)=C1 C16590 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.1 CCC1=CN=C(Br)S1 56511 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.1 CCC1=CN=C(S)S1 E72343 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.1 ClC1=NC=C(CI)S1 AC9205 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.1 O=CC1=CN=C(O)S1 AT14773 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.11 C=CN1C=CN=C1C T72225 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.11 CC1=C(C#N)SC=N1 AT15031 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.11 CC1=C(C=O)N=CO1 AT18594 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.11 CC1=C(CCl)OC=N1 C11081 [1,0,0,0,0,0|1,1,1]=4 50 B8R1.11 CC1=C(CCl)SC=N1 74336 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.11 CC1=C(CN)NC=N1 F19544 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.11 CC1=C(CN)OC=N1 AT18687 [1,0,0,0,0,0|1,1,1]=4 54 B8R1.11 CC1=C(CN)SC=C1 71361 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.11 CC1=C(CO)SC=N1 74180 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.11 COC1=C(C)C=CS1 91670 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.11 ClC1=C(CBr)SC=N1 AT15037 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.11 N#CC1=C(Cl)N=CS1 AT15032 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.11 NC1=C(C=O)SC=C1 O10948 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.11 O=CC1=C(I)C=CS1 AT16727 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.11 OCC1=C(Cl)N=CS1 AT14780 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.18 CC1=C(C)OC(Br)=N1 AT18457 [1,0,0,0,0,0|1,1,1]=4 63 B8R1.18 CC1=C(C)OC(S)=N1 AT18536 [1,0,0,0,0,0|1,1,1]=4 64 B8R1.18 CC1=C(C)SC(Br)=C1 95200 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.18 CC1=C(Cl)N=C(Cl)S1 O10590 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.18 CC1=CC(C)=C(S)S1 AT16553 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.18 CC1=NC(C)C(C)S1 A10763 [1,0,0,0,0,0|0,0,3]=4 69 B8R1.18 CC1=NN(C)C(Br)=N1 AT12326 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.18 CC1=NN(C)C(Cl)=N1 AT12325 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.18 CC1=NN(C)C(I)=C1 71879 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.18 CC1=NN(C)C(N)=N1 AT12327 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.18 CC1=NN(C)C=C1N CL3439 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.18 ClC1=NC(Br)=C(I)S1 95298 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.35 CCN1C=C(C=O)C(C)=N1 D85904 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 AT17163 [0,1,0,0,0,0|2,1,0]=4 77 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 AT16400 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.59 CC1=NC(C(=O)O)=C(C)N1 AT15391 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 AT21448 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.59 NC(=O)C1=C(Br)N=C(Br)S1 89511 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.130 CC1=NC(C)=C(CC#N)S1 E72606 [0,1,0,0,0,0|0,0,2]=3 82 B10R2.2 BrC1=NC2=C(C=CS2)S1 93685 [0,0,0,1,0,0|2,0,0]=3 83 B10R2.2 CC1=CN2C=CSC2=N1 D73889 [0,0,0,1,0,0|3,0,0]=4 84 B10R2.2 CC1=NC2=C(CNC2)S1 C80097 [0,0,0,1,0,0|1,0,1]=3 85 B10R1.8 C=CC1=NC(N)=NC(N)=N1 T72286 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.8 CC1=CC(C)=NC(C=O)=N1 P20555 [0,0,0,0,0,1|3,0,0]=4 87 B10R1.8 CNC1=CC(C)=NC(C)=C1 78071 [0,0,0,0,0,1|2,0,1]=4 88 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.25 CC1=NC(C)=C(C=O)C=N1 D97637 [0,0,0,0,0,1|2,0,0]=3 90 B10R1.25 CC1=NC(C)=C(CN)C=N1 F53535 [0,0,0,0,0,1|2,0,1]=4 91 B10R1.30 CC1=CC(C=O)=C(Br)C=N1 D72245 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.30 CC1=CC(C=O)=C(C)N=N1 AT17926 [0,0,0,0,0,1|2,0,0]=3 93 B10R1.30 CC1=CN=C(F)C=C1C=O AT26672 [0,0,0,0,0,1|3,0,0]=4 94 B10R1.30 CC1=NC=C(F)C=C1C=O C16838 [0,0,0,0,0,1|3,0,0]=4 95 B7R1.1 BrCC1=CN=CS1 70967 [2,0,0,0,0,0|1,0,1]=4 96 B7R1.1 C=CC1=NC=CS1 C72532 [2,0,0,0,0,0|2,0,0]=4 97 B7R1.1 ClCC1=CN=CS1 F13827 [2,0,0,0,0,0|1,0,1]=4 98 B7R1.2 BrC1=CN=C(I)S1 89501 [2,0,0,0,0,0|2,0,0]=4 99 B7R1.2 BrC1=NC=C(I)S1 F16091 [2,0,0,0,0,0|2,0,0]=4 100 B7R1.2 CC1=CC(N)=CS1 27442 [2,0,0,0,0,0|2,0,0]=4 101 B7R1.2 CC1=CC=C(S)S1 AT16550 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.2 CC1=CN=C(C)O1 AC5679 [2,0,0,0,0,0|0,1,1]=4 103 B7R1.2 CC1=COC(Br)=N1 AT18461 [2,0,0,0,0,0|1,1,0]=4 104 B7R1.2 CC1=COC(Cl)=N1 A51023 [2,0,0,0,0,0|1,1,0]=4 105 B7R1.2 CC1=CSC(N)=C1 N12877 [2,0,0,0,0,0|2,0,0]=4 106 B7R1.2 CC1=CSC(N)=C1 S11464 [2,0,0,0,0,0|2,0,0]=4 107 B7R1.2 CC1=CSC(S)=C1 AT16548 [2,0,0,0,0,0|2,0,0]=4 108 B7R1.2 CC1=NC(N)=CS1 AC2762 [2,0,0,0,0,0|1,0,0]=3 109 B7R1.2 CC1=NC=C(Br)O1 AT18670 [2,0,0,0,0,0|1,1,0]=4 110 B7R1.2 CC1=NC=C(Cl)S1 AT15021 [2,0,0,0,0,0|1,0,0]=3 111 B7R1.2 CC1=NC=C(N)S1 D85841 [2,0,0,0,0,0|1,0,0]=3 112 B7R1.2 CC1=NN=C(I)S1 AT18990 [2,0,0,0,0,0|2,0,0]=4 113 B7R1.2 CC1=NSC(I)=N1 E72754 [2,0,0,0,0,0|2,0,0]=4 114 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [2,0,0,0,0,0|0,0,2]=4 115 B7R1.2 FC1=NC(Br)=CS1 AT14873 [2,0,0,0,0,0|2,0,0]=4 116 B7R1.2 NC1=CN=C(N)S1 C90580 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.2 NC1=CSC(Br)=N1 70972 [2,0,0,0,0,0|2,0,0]=4 118 B7R1.2 SC1=NC=C(Cl)S1 AT15027 [2,0,0,0,0,0|2,0,0]=4 119 B7R1.4 BrC1=C(Br)SC=N1 C11305 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.21 CCC1=NN=C(C=O)S1 AT18981 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.21 COC1=CC=C(C=O)S1 F53534 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.21 CSC1=CC=C(C=O)S1 T72147 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.21 CSC1=NC=C(C=O)S1 AT15087 [1,1,0,0,0,0|1,0,0]=3 124 B9R1.14 OCC1=C(CO)SC=N1 69340 [1,1,0,0,0,0|1,0,1]=4 125 B9R1.33 CC1=C(CCCl)SC=N1 T71110 [1,1,0,0,0,0|0,0,2]=4 126 B9R1.33 CC1=C(CCN)SC=N1 D84303 [1,1,0,0,0,0|0,0,2]=4 127 B9R1.41 CC1=C(C(=O)Cl)OC=N1 AT23456 [1,1,0,0,0,0|1,1,0]=4 128 B9R1.41 O=C(O)C1=C(Cl)N=CS1 AT15210 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.74 CC(=O)C1=CC(C)=NC(C)=C1 90618 [0,1,0,0,0,1|1,0,1]=4 130 B11R1.74 CC1=CC(C(N)=O)=CC(C)=N1 F12421 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.49 CCC1=C(C(=O)O)SC(Br)=N1 87851 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.48 C=CC1=CC(C(C)C)=NN1C F50983 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.50 CCC1=NC(C)=C(C(=O)O)O1 C14203 [0,2,0,0,0,0|1,1,0]=4 134 B11R1.50 CCC1=NC(C)=C(C(C)=O)S1 AT14683 [0,2,0,0,0,0|0,0,1]=3 135 B11R1.225 CC1=C(C(=O)CBr)SC(N)=N1 O10256 [0,2,0,0,0,0|1,0,1]=4 136 B11R1.225 CC1=NC(C)=C(C(=O)CO)S1 AC3257 [0,2,0,0,0,0|0,0,1]=3 137 B9R1.34 CC1=CC(I)=CC(C)=N1 O11249 [0,0,1,1,0,0|2,0,0]=4 138 B9R2.3 C1=CC2=C(N=CS2)S1 93683 [1,0,0,1,0,0|1,0,0]=3 139 B9R2.3 C1=NC2=C(CNC2)S1 AC2026 [1,0,0,1,0,0|1,0,1]=4 140 B11R2.10 CC1=NC2=C(C=NC=C2)O1 A11329 [0,1,0,1,0,0|0,1,1]=4 141 B11R2.10 CC1=NC2=CC=CN=C2N1 F19908 [0,1,0,1,0,0|1,0,1]=4 142 B11R2.10 CC1=NC2=CC=CN=C2S1 75584 [0,1,0,1,0,0|0,0,1]=3 143 B11R2.10 CC1=NC2=NC=CN=C2N1 70074 [0,1,0,1,0,0|2,0,0]=4 144 B11R2.10 FC1=NC2=C(C=CC=C2)S1 T71604 [0,1,0,1,0,0|1,0,1]=4 145 B11R2.10 NC1=NC2=NC=CN=C2S1 O12147 [0,1,0,1,0,0|2,0,0]=4 146 B11R2.10 SC1=NC2=C(C=CN=C2)S1 O12148 [0,1,0,1,0,0|1,0,1]=4 147 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [1,0,0,0,0,1|1,0,0]=3 148 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [1,0,0,0,0,1|2,0,0]=4