0 B8R1.8 C(#N)CN1C=CN=C1 LN00222560 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.8 C(CO)C1=CSC=C1 LN00188198 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.8 C1=CSC(=C1)CC=O LN01815545 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.8 CNCC1=CSC=C1 AC030026 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 N#CCC1=CC=CS1 AC510689 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.8 NCCC1=CC=CO1 AC030027 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 NCCC1=CN=CN1 HY-B1204 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.8 NCCC1=CNC=N1 HY-A0129 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.8 NCCC1=NC=NN1 AC320005 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.8 OCCC1=CNN=C1 AC511838 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 OCCC1=CSC=C1 AC180238 [0,0,0,0,0,0|1,0,0]=1 11 B7R1.1 BrCC1=CC=NO1 AC050627 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.1 C#CC1=CSC=C1 AC310135 [1,0,0,0,0,0|0,0,2]=3 13 B7R1.1 C1=CC=C([CH-]1)CO LN02135120 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 C1=CON=C1CN LN00111972 [1,0,0,0,0,0|1,1,0]=3 15 B7R1.1 CCN1C=NC=N1 LN00184923 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 CNC1=NOC=C1 LN00001263 [1,0,0,0,0,0|2,1,0]=4 17 B7R1.1 CNC1=NOC=C1 LN00002470 [1,0,0,0,0,0|2,1,0]=4 18 B7R1.1 COC1=CC=CS1 AC130135 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 COC1=CSC=C1 AC511563 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.1 CSC1=CNN=C1 LN01331335 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 NCC1=CC=CN1 AC182788 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 NCC1=CC=CS1 AC510712 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 NCC1=CNN=C1 AC050524 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.1 NCC1=CNN=N1 AC010210 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 NCC1=CSC=C1 AC181241 [1,0,0,0,0,0|0,0,0]=1 26 B7R1.1 O=CC1=CNC=C1 AC280042 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.1 O=CC1=CSC=C1 AC180098 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.1 O=CC1=CSC=N1 AC511667 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 OCC1=CC=NO1 AC050733 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 OCC1=CN=CN1 AC500303 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 OCC1=CN=CO1 AC182363 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 OCC1=CNN=C1 AC511994 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 OCC1=COC=C1 AC510770 [1,0,0,0,0,0|1,1,0]=3 34 B7R1.1 OCC1=CON=C1 AC051093 [1,0,0,0,0,0|2,1,0]=4 35 B7R1.1 OCC1=CSC=C1 AC180309 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.1 OCC1=CSC=N1 AC190085 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.1 OCC1=NOC=C1 AC190021 [1,0,0,0,0,0|2,1,0]=4 38 B9R1.7 CCCC1=NOC(=C1)N LN00002360 [0,1,0,0,0,0|2,1,0]=4 39 B9R1.11 COC(=O)C1=CSC=C1 AC500266 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.13 CC(N)CN1C=NC=N1 AC190154 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.13 OC(=O)CC1=CSC=C1 AC130133 [0,1,0,0,0,0|1,0,1]=3 42 B9R1.33 CC1=C(CCO)SC=N1 AC510648 [0,1,0,0,0,0|3,0,0]=4 43 B9R2.2 C1CC1C2=CNC=N2 AC010460 [0,0,0,1,0,0|3,0,0]=4 44 B9R2.2 C1CC1C2=NNC=C2 LN00009759 [0,0,0,1,0,0|3,0,0]=4 45 B9R2.2 C1CC1N2C=CN=C2 LN00203834 [0,0,0,1,0,0|3,0,0]=4 46 B9R2.3 C1=CSC2=C1SC=C2 LN00168953 [0,0,0,1,0,0|2,0,1]=4 47 B9R2.3 C1CC2=CNN=C2C1 AC051090 [0,0,0,1,0,0|3,0,0]=4 48 B9R2.3 N1N=CC2=C1C=CS2 AC230028 [0,0,0,1,0,0|3,0,0]=4 49 B9R2.3 S1C=CC2=C1C=CS2 AC180836 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [0,0,0,0,0,1|2,0,0]=3 51 B9R1.8 CNCC1=CC=CC=C1 AC500163 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [0,0,0,0,0,1|3,0,0]=4 53 B9R1.8 NCCC1=CC=CN=C1 AC500060 [0,0,0,0,0,1|1,0,0]=2 54 B9R1.8 NNCC1=CC=CC=C1 AC500254 [0,0,0,0,0,1|2,0,0]=3 55 B9R1.8 OCCC1=CC=NC=C1 AC511725 [0,0,0,0,0,1|2,0,0]=3 56 B9R1.8 OCCC1=NC=CN=C1 AC051081 [0,0,0,0,0,1|2,0,0]=3 57 B9R1.8 ONCC1=CC=CC=C1 AC180467 [0,0,0,0,0,1|3,0,0]=4 58 B6R1.2 BrC1=COC=C1 AC130126 [2,0,0,0,0,0|1,1,0]=4 59 B6R1.2 BrC1=CSC=C1 AC510982 [2,0,0,0,0,0|1,0,0]=3 60 B6R1.2 BrC1=CSC=N1 AC130293 [2,0,0,0,0,0|2,0,0]=4 61 B6R1.2 C1=CSC=C1I LN00177299 [2,0,0,0,0,0|1,0,0]=3 62 B6R1.2 C1=NSC=C1Br LN00183425 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 CC1=CN=CN1 AC190147 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 CC1=CN=CS1 AC510736 [2,0,0,0,0,0|2,0,0]=4 65 B6R1.2 CC1=CNN=C1 AC130170 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 CC1=CNN=C1 HY-B0876 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 CC1=CSC=N1 AC130333 [2,0,0,0,0,0|1,0,0]=3 68 B6R1.2 CC1=NNC=C1 AC130325 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 CN1C=CC=C1 AC130318 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 CN1C=CN=C1 AC130869 [2,0,0,0,0,0|2,0,0]=4 71 B6R1.2 NC1=CNN=C1 AC511640 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 NC1=CSC=C1 AC010284 [2,0,0,0,0,0|0,0,0]=2 73 B6R1.2 NC1=NNC=C1 AC130171 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.1 CC1=NOC(CN)=C1 AC320008 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.1 CCC1=NOC(=C1)N LN00337016 [1,1,0,0,0,0|1,1,0]=4 76 B8R1.1 CCN1C=C[N+](=C1)C LN00120736 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.1 CCN1C=C[N+](=C1)C LN02184437 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.1 NCC1=CC=C(Br)S1 AC070057 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.7 C1=CSC=C1B(O)O LN00163120 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.7 CC(=O)C1=CSC=C1 AC500077 [1,1,0,0,0,0|0,0,1]=3 81 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.7 OB(O)C1=CSC=C1 AC130010 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.7 OC(=O)C1=CSC=C1 AC310080 [1,1,0,0,0,0|1,0,1]=4 84 B8R1.11 CN1C=CC=C1CN LN00001692 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.1 C1=C(C=CC(=C1)Br)CCO LN00010340 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.1 C1=C(C=CC(=C1)F)CCO LN00009366 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.1 FC1=CC=C(CCBr)C=C1 AC181747 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.1 NCCC1=CC=C(Br)C=C1 AC510947 [0,1,0,0,0,1|1,0,0]=3 89 B10R1.1 NCCC1=CC=C(F)C=C1 AC511531 [0,1,0,0,0,1|1,0,0]=3 90 B10R1.1 NCCC1=CC=C(N)C=C1 AC181788 [0,1,0,0,0,1|1,0,0]=3 91 B10R1.1 NCCC1=CC=C(O)C=C1 AC510807 [0,1,0,0,0,1|1,0,0]=3 92 B10R1.1 NNCC1=CC=C(F)C=C1 AC070102 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.1 NOCC1=CC=C(Cl)C=C1 AC010098 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.1 OCCC1=CC=C(Br)C=C1 AC511093 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.1 OCCC1=CC=C(Cl)C=C1 AC180054 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.1 OCCC1=CC=C(F)C=C1 AC190322 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.4 C1=CC=C(C(=C1)CCO)Br LN00142608 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.4 C1=CC=C(C(=C1)CCO)Cl LN00192290 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.4 CC1=C(CON)C=CC=C1 AC010097 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.4 NCCC1=CC=CC=C1N AC070086 [0,1,0,0,0,1|1,0,0]=3 101 B10R1.4 NCCC1=CC=CC=C1O AC050448 [0,1,0,0,0,1|1,0,0]=3 102 B10R1.4 OCCC1=CC=CC=C1Br AC180682 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.10 CCCC1=NC=CC(=C1)Br LN02162802 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC511209 [0,1,0,0,0,1|1,0,0]=3 107 B10R1.10 NCCC1=CC=CC(O)=C1 AC180433 [0,1,0,0,0,1|1,0,0]=3 108 B10R1.10 OCCC1=CC(Cl)=CC=C1 AC180053 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [0,1,0,0,0,1|1,0,1]=4 110 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [0,1,0,0,0,1|1,0,1]=4 113 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [0,1,0,0,0,1|1,0,0]=3 114 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [0,1,0,0,0,1|1,0,0]=3 117 B10R1.17 NCCOC1=CC=CC=C1 AC180524 [0,1,0,0,0,1|1,0,0]=3 118 B10R1.17 NCCOC1=CC=CN=C1 AC182690 [0,1,0,0,0,1|1,0,0]=3 119 B10R1.17 NCCOC1=NC=CC=C1 AC180673 [0,1,0,0,0,1|1,0,0]=3 120 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [0,1,0,0,0,1|1,0,0]=3 121 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [0,1,0,0,0,1|1,0,0]=3 122 B10R1.17 OCCCC1=CC=NC=C1 AC180489 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [0,1,0,0,0,1|1,0,1]=4 125 B10R1.11 CCOC(=O)C1=CSC=C1 AC181421 [0,2,0,0,0,0|1,0,1]=4 126 B10R1.23 NC(C(O)=O)C1=CSC=C1 AC180641 [0,2,0,0,0,0|1,0,1]=4 127 B8R1.2 NCC1=CC=CN=C1 AC512081 [0,0,1,1,0,0|1,0,1]=4 128 B8R1.2 NCC1=CC=NC=C1 AC510741 [0,0,1,1,0,0|1,0,1]=4 129 B10R2.7 C1=CC2=C(N=C1)NCC2 LN00151014 [0,0,0,1,0,1|1,0,0]=3 130 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [0,0,0,1,0,1|2,0,0]=4 131 B10R2.7 C1CC2=C(N1)C=CC=C2 AC500074 [0,0,0,1,0,1|1,0,0]=3 132 B10R2.7 C1CC2=C(N1)N=CC=C2 AC020599 [0,0,0,1,0,1|1,0,0]=3 133 B10R2.7 C1CC2=CC=CC=C2O1 AC020850 [0,0,0,1,0,1|2,0,0]=4 134 B10R2.7 C1CC2=CC=CN=C2N1 AC021071 [0,0,0,1,0,1|1,0,0]=3 135 B10R2.32 O=C1CCC2=C1SC=C2 AC181664 [0,1,0,1,0,0|1,0,0]=3 136 B10R2.136 C1NCC1N2C=CN=C2 AC051177 [0,1,0,1,0,0|2,0,0]=4