0 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.13 O=C(O)CC1=NC=CN1 I38240 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.13 O=C(O)CC1=NC=CS1 T15370 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.8 BrCCN1N=CC=N1 B37102 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.8 CCCC1=NC=CN1 P68616 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.8 CCCC1=NC=CS1 P43394 [1,0,0,0,0,0|0,0,0]=1 8 B8R1.8 CCNC1=NC=CS1 E41366 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.8 CCOC1=NC=CS1 E41172 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.8 CNCC1=CC=CS1 M43398 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.8 N#CCC1=CC=CS1 T39260 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.8 N#CCC1=NC=CS1 T10963 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.8 NCCC1=CC=CS1 T12818 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.8 NCCC1=CN=CS1 T41396 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 NCCC1=NC=CN1 K41400 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.8 NCCC1=NN=CS1 T11221 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.8 NCCC1=NN=CS1 T13923 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.8 NNCC1=CC=CS1 H13973 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.8 OCCC1=CNC=N1 I10449 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 OCCN1C=CC=N1 P41188 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.8 OCCN1N=CC=N1 T63142 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.27 N[C@H](CO)CC1=CNC=N1 A43557 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.27 OC[C@@H](O)CN1C=CC=N1 P41436 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.54 CC(=O)NC1=NC(C)=CS1 A68861 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.54 CC(=O)NC1=NC=C(Br)S1 A2519 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.54 CC(C)CN1C=C(I)C=N1 K43747 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 C12127 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 C11230 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,0,1,0|2,0,1]=4 31 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,0,0,0,1,0|2,0,1]=4 32 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,0,0,0,1,0|1,0,1]=3 33 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,0,0,0,1,0|1,1,0]=3 34 B8R1.7 CC(C)C1=NC=CN1 P67407 [0,0,0,0,1,0|1,0,0]=2 35 B8R1.7 CC(C)C1=NNC=C1 P9834 [0,0,0,0,1,0|2,0,0]=3 36 B8R1.7 CC(C)N1C=CC=N1 P41426 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.7 CC(C)N1C=CN=N1 P41243 [0,0,0,0,1,0|3,0,0]=4 38 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,0,0,0,1,0|2,1,0]=4 40 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [0,0,0,0,1,0|3,0,0]=4 42 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [0,0,0,0,1,0|1,0,0]=2 43 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [0,0,0,0,1,0|1,0,0]=2 44 B8R1.7 N=C(N)C1=NC=CS1 T8198 [0,0,0,0,1,0|2,0,1]=4 45 B8R1.7 NC(=O)C1=NC=CS1 T61005 [0,0,0,0,1,0|2,0,1]=4 46 B8R1.7 O=C(O)C1=NC=CS1 T9224 [0,0,0,0,1,0|2,0,1]=4 47 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.18 CC(C)NC1=NC=CC=N1 I39098 [0,0,0,0,0,1|2,0,0]=3 50 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [0,0,0,0,0,1|2,0,0]=3 52 B7R1.1 BrCC1=NC=CN1 B40117 [2,0,0,0,0,0|2,0,0]=4 53 B7R1.1 C=CC1=NC=CS1 V41009 [2,0,0,0,0,0|0,0,2]=4 54 B7R1.1 CCC1=NC=CN1 E68629 [2,0,0,0,0,0|1,0,0]=3 55 B7R1.1 CCC1=NN=CO1 E37555 [2,0,0,0,0,0|1,1,0]=4 56 B7R1.1 CNC1=NC=CS1 M67793 [2,0,0,0,0,0|1,0,0]=3 57 B7R1.1 CNC1=NC=NS1 M32356 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.1 COC1=CC=CS1 M41123 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.1 COC1=NC=CS1 M2608 [2,0,0,0,0,0|1,0,0]=3 60 B7R1.1 CSC1=NC=CO1 M40164 [2,0,0,0,0,0|1,1,0]=4 61 B7R1.1 ClCC1=NC=CO1 C40107 [2,0,0,0,0,0|1,1,0]=4 62 B7R1.1 N#CC1=NC=CS1 C15601 [2,0,0,0,0,0|1,0,1]=4 63 B7R1.1 NCC1=CC=CS1 A12813 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.1 NCC1=NC=CN1 A14237 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.1 NCC1=NC=CN1 K40331 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.1 NCC1=NC=CS1 A11223 [2,0,0,0,0,0|1,0,0]=3 67 B7R1.1 NCC1=NC=CS1 T11224 [2,0,0,0,0,0|1,0,0]=3 68 B7R1.1 NCC1=NC=CS1 T24256 [2,0,0,0,0,0|1,0,0]=3 69 B7R1.1 NNC1=NC=CS1 H39914 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.1 O=CC1=NC=CS1 T2877 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.1 OCC1=CC=CS1 T12815 [2,0,0,0,0,0|2,0,0]=4 72 B7R1.1 OCC1=NC=CN1 I38716 [2,0,0,0,0,0|2,0,0]=4 73 B7R1.1 OCC1=NC=CO1 X14019 [2,0,0,0,0,0|1,1,0]=4 74 B7R1.1 OCC1=NC=CS1 H3028 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.7 CCCC1=NOC(N)=C1 P41430 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.7 CCCN1C=C(Br)C=N1 B9822 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.7 CCOC1=NC(Br)=CS1 B2261 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.7 COCC1=NN=C(N)S1 M40224 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.7 N#CCC1=NC=C(Br)S1 B13060 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.7 N#CCC1=NC=C(Cl)S1 C13061 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [1,1,0,0,0,0|0,0,1]=3 83 B9R1.11 COC(=O)C1=NC=CS1 M40994 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.11 O=C(CBr)C1=NC=CS1 B40844 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.12 CCCCC1=NC=CN1 B43788 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.12 CCOCC1=CC=CO1 E38338 [1,1,0,0,0,0|1,1,0]=4 88 B9R1.12 ICCCC1=CC=CS1 K46278 [1,1,0,0,0,0|1,0,0]=3 89 B9R1.12 OCCCC1=CC=CS1 T36724 [1,1,0,0,0,0|1,0,0]=3 90 B9R1.19 CC(C)(C)C1=NC=CN1 D1577 [0,1,0,0,1,0|1,0,0]=3 91 B9R1.19 CC(C)(C)C1=NNC=C1 B1379 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.19 CC(C)(C)N1C=CC=N1 B20476 [0,1,0,0,1,0|2,0,0]=4 93 B9R1.19 CC(C)(O)C1=NC=CS1 D5833 [0,1,0,0,1,0|0,0,0]=2 94 B9R1.19 C[Si](C)(C)C1=NC=CS1 T2744 [0,1,0,0,1,0|0,1,0]=3 95 B9R1.35 CC(=O)C1=NC=C(Br)S1 B13063 [0,1,0,0,1,0|1,0,1]=4 96 B9R1.35 CC(=O)C1=NC=C(Cl)S1 C13062 [0,1,0,0,1,0|1,0,1]=4 97 B9R1.35 CC(C)C1=CN=C(Br)S1 B43292 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.35 CC(C)C1=CN=C(N)S1 P67827 [0,1,0,0,1,0|2,0,0]=4 99 B9R1.35 CC(C)C1=CSC(Br)=N1 B43291 [0,1,0,0,1,0|2,0,0]=4 100 B9R1.35 CC(C)C1=NC(Br)=CS1 B2063 [0,1,0,0,1,0|0,0,0]=2 101 B9R1.35 CC(C)C1=NC=C(Br)S1 B64788 [0,1,0,0,1,0|0,0,0]=2 102 B9R1.35 CC(C)C1=NN=C(Br)S1 B64862 [0,1,0,0,1,0|1,0,0]=3 103 B9R1.35 CC(C)C1=NN=C(N)N1 P40374 [0,1,0,0,1,0|2,0,0]=4 104 B9R1.35 CC(C)C1=NN=C(N)O1 A12272 [0,1,0,0,1,0|1,1,0]=4 105 B9R1.35 CC(C)C1=NN=C(N)S1 A41253 [0,1,0,0,1,0|1,0,0]=3 106 B9R1.35 CC(C)C1=NOC(N)=C1 P41431 [0,1,0,0,1,0|2,0,0]=4 107 B9R1.35 CC(C)N1C=C(Br)C=N1 B43323 [0,1,0,0,1,0|2,0,0]=4 108 B9R1.35 CC(C)N1C=C(N)C=N1 P41490 [0,1,0,0,1,0|2,0,0]=4 109 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [0,1,0,0,1,0|0,0,0]=2 110 B9R1.35 FC(F)C1=NC=C(Br)S1 B13058 [0,1,0,0,1,0|2,0,0]=4 111 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.20 CC(C)NC1=NC=C(Br)C=N1 B2456 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.20 CC(C)OC1=NN=C(I)C=C1 K46336 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.86 CC(C)NC1=NC=CC=C1N P47054 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.86 CC1=NC=CN=C1CC(C)C B50395 [0,1,0,0,0,1|1,0,0]=3 124 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.157 CC(C)OC1=CC(Cl)=NC=N1 C46328 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.157 CC(C)OC1=CC=NC(Cl)=N1 C63876 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 B46785 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.509 CC(C)(C)OC1=CN=CC=C1 B50336 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.509 CC(C)(C)OC1=NC=CC=C1 B50335 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.30 CCOC(=O)CC1=NC=CS1 E46416 [0,2,0,0,0,0|1,0,1]=4 131 B11R1.39 COC(=O)CC1=NC(Cl)=CS1 M15342 [0,2,0,0,0,0|1,0,1]=4 132 B11R1.39 COC(=O)CC1=NC=C(Cl)S1 M15324 [0,2,0,0,0,0|1,0,1]=4 133 B11R1.43 CC(C)CN1C=C(C=O)C=N1 B46979 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.80 CC1=NC(CC(C)C)SC1C B50558 [0,2,0,0,0,0|0,0,2]=4 135 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,0,1,1,0,0|1,0,1]=4 136 B9R2.2 C1=CC(C2CC2)=NN1 C3288 [1,0,0,1,0,0|2,0,0]=4 137 B9R2.2 C1=CN(C2CC2)N=C1 C43183 [1,0,0,1,0,0|2,0,0]=4 138 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [1,0,0,1,0,0|1,0,0]=3 139 B9R2.2 C1=NC(C2CC2)=CN1 C11863 [1,0,0,1,0,0|2,0,0]=4 140 B9R2.3 C1=CN2CCCC2=N1 D63557 [1,0,0,1,0,0|1,0,0]=3 141 B9R2.3 C1=NN2CCCC2=C1 D16430 [1,0,0,1,0,0|2,0,0]=4 142 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [0,0,0,1,0,1|2,0,0]=4 143 B11R2.36 O[C@@H]1COC2=NC=CN2C1 D62363 [0,0,0,1,0,1|2,0,0]=4 144 B11R2.36 O[C@H]1CCC2=NC=CN2C1 T37484 [0,0,0,1,0,1|2,0,0]=4 145 B11R2.351 BrC1=CN(CC2CC2)N=C1 B63409 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,1|1,0,0]=3 147 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,0,0,0,1|1,0,0]=3 148 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,0,0,0,0,1|2,0,0]=4 149 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,0,0,0,1|2,0,0]=4 150 B9R1.8 CNCC1=NC=CC=N1 M14362 [1,0,0,0,0,1|2,0,0]=4 151 B9R1.8 CNCC1=NC=CC=N1 M31227 [1,0,0,0,0,1|2,0,0]=4 152 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,0,0,0,0,1|2,0,0]=4 153 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,1|2,0,0]=4 154 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,1|2,0,0]=4 155 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,1|2,0,0]=4 156 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,0,0,0,0,1|2,0,0]=4 157 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,0,0,0,0,1|2,0,0]=4 158 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,1|2,0,0]=4 159 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,0,0,0,0,1|2,0,0]=4