0 B8R1.8 C(CO)C1=CSC=C1 LN00188198 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 C1=CSC(=C1)CC=O LN01815545 [0,0,0,0,0,0|2,1,0]=3 2 B8R1.8 CNCC1=CSC=C1 AC030026 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 N#CCC1=CC=CS1 AC510689 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.8 NCCC1=CC=CO1 AC030027 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.8 NCCC1=CN=CN1 HY-B1204 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 NCCC1=CNC=N1 HY-A0129 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 OCCC1=CSC=C1 AC180238 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.1 BrCC1=CC=NO1 AC050627 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 C#CC1=CC=CS1 LN00184075 [1,0,0,0,0,0|0,1,2]=4 10 B7R1.1 C#CC1=CC=C[CH-]1 AC511482 [1,0,0,0,0,0|1,0,2]=4 11 B7R1.1 C#CC1=CC=C[CH]1 LN00196081 [1,0,0,0,0,0|1,0,2]=4 12 B7R1.1 C1=CC=C([CH-]1)CO LN02135120 [1,0,0,0,0,0|1,1,0]=3 13 B7R1.1 C1=CNC(=C1)C=O LN00008368 [1,0,0,0,0,0|1,1,1]=4 14 B7R1.1 C1=CON=C1CN LN00111972 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 CCN1C=NC=N1 LN00184923 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 CNC1=NC=CO1 LN00002575 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 CNC1=NOC=C1 LN00001263 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 CNC1=NOC=C1 LN00002470 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 COC1=CC=CS1 AC130135 [1,0,0,0,0,0|0,2,0]=3 20 B7R1.1 COC1=CSC=C1 AC511563 [1,0,0,0,0,0|2,1,0]=4 21 B7R1.1 CSC1=CNN=C1 LN01331335 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 ClCC1=NC=CO1 AC050434 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 N#CC1=CC=CN1 AC180934 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 N#CC1=CC=CS1 AC511049 [1,0,0,0,0,0|1,1,1]=4 25 B7R1.1 N#CC1=CC=NO1 AC050753 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.1 NCC1=CC=CN1 AC182788 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 NCC1=CC=CS1 AC510712 [1,0,0,0,0,0|1,1,0]=3 28 B7R1.1 NCC1=CSC=C1 AC181241 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 O=CC1=CC=CN1 AC180090 [1,0,0,0,0,0|1,1,1]=4 30 B7R1.1 O=CC1=CC=CS1 AC511013 [1,0,0,0,0,0|0,2,1]=4 31 B7R1.1 O=CC1=CN=CO1 AC051098 [1,0,0,0,0,0|1,1,1]=4 32 B7R1.1 OCC1=CC=NO1 AC050733 [1,0,0,0,0,0|1,1,0]=3 33 B7R1.1 OCC1=CN=CN1 AC500303 [1,0,0,0,0,0|2,1,0]=4 34 B7R1.1 OCC1=CN=CO1 AC182363 [1,0,0,0,0,0|1,1,0]=3 35 B7R1.1 OCC1=COC=C1 AC510770 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.1 OCC1=CSC=C1 AC180309 [1,0,0,0,0,0|2,1,0]=4 37 B7R1.1 OCC1=CSC=N1 AC190085 [1,0,0,0,0,0|2,1,0]=4 38 B7R1.1 OCC1=NOC=C1 AC190021 [1,0,0,0,0,0|2,1,0]=4 39 B9R1.7 CCCC1=NOC(=C1)N LN00002360 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.11 COC(=O)C1=CC=CN1 AC511475 [0,1,0,0,0,0|1,1,1]=4 41 B9R1.11 COC(=O)C1=CC=CS1 LN00186303 [0,1,0,0,0,0|0,2,1]=4 42 B9R1.11 NNC(=O)C1=CC=CO1 AC021398 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.13 CC(=O)CC1=CC=CS1 LN00166067 [0,1,0,0,0,0|1,1,0]=3 44 B9R1.13 OC(=O)CC1=CC=CS1 AC130136 [0,1,0,0,0,0|2,1,0]=4 45 B9R2.2 C1CC1C2=CNC=N2 AC010460 [0,0,0,1,0,0|3,0,0]=4 46 B9R2.2 C1CC1C2=NC=CN2 AC130001 [0,0,0,1,0,0|3,0,0]=4 47 B9R2.2 C1CC1C2=NC=CN2 LN00005479 [0,0,0,1,0,0|3,0,0]=4 48 B9R2.2 C1CC1C2=NNC=C2 LN00009759 [0,0,0,1,0,0|3,0,0]=4 49 B9R2.2 C1CC1N2C=CC=N2 AC040137 [0,0,0,1,0,0|3,0,0]=4 50 B9R2.3 C1CC2=CNN=C2C1 AC051090 [0,0,0,1,0,0|3,0,0]=4 51 B9R2.3 C1NCC2=NNC=C12 AC010304 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [0,0,0,0,0,1|3,0,0]=4 53 B9R1.8 CNCC1=CC=CC=C1 AC500163 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [0,0,0,0,0,1|2,0,0]=3 55 B9R1.8 NCCC1=CC=CN=C1 AC500060 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.8 NNCC1=CC=CC=C1 AC500254 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.8 OCCC1=CC=NC=C1 AC511725 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.8 OCCC1=NC=CN=C1 AC051081 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.8 ONCC1=CC=CC=C1 AC180467 [0,0,0,0,0,1|3,0,0]=4 60 B6R0.6 C/C=C/C=C/CO AC220181 [1,0,1,0,0,0|0,0,2]=4 61 B6R1.2 CC1=CN=CN1 AC190147 [2,0,0,0,0,0|2,0,0]=4 62 B6R1.2 CC1=CN=CS1 AC510736 [2,0,0,0,0,0|1,1,0]=4 63 B6R1.2 CC1=CSC=N1 AC130333 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 CC1=NC=CS1 AC180527 [2,0,0,0,0,0|1,1,0]=4 65 B6R1.2 CC1=NNC=C1 AC130325 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 CN1C=CC=C1 AC130318 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 IC1=CC=CS1 AC510730 [2,0,0,0,0,0|1,1,0]=4 68 B6R1.2 NC1=NC=CO1 AC182080 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.1 BrC1=CC=C(O1)C#N AC290054 [1,1,0,0,0,0|1,0,1]=4 70 B8R1.1 BrC1=CC=C(O1)C=O AC500242 [1,1,0,0,0,0|0,1,1]=4 71 B8R1.1 BrC1=COC(C=O)=C1 AC020788 [1,1,0,0,0,0|0,1,1]=4 72 B8R1.1 C1=C(C=O)OC(=C1)Br LN00131779 [1,1,0,0,0,0|0,1,1]=4 73 B8R1.1 CC1=NOC(CN)=C1 AC320008 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.1 CCC1=NOC(=C1)N LN00337016 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.1 CCN1C=C(Br)C=N1 AC182237 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.1 COC1=CC(N)=NO1 AC182433 [1,1,0,0,0,0|1,1,0]=4 77 B8R1.1 CSC1=NC(=CS1)Br LN00169678 [1,1,0,0,0,0|1,1,0]=4 78 B8R1.1 NCC1=CC=C(Br)S1 AC070057 [1,1,0,0,0,0|1,1,0]=4 79 B8R1.1 OCC1=CC=C(F)S1 AC050155 [1,1,0,0,0,0|0,2,0]=4 80 B8R1.7 C1=COC(=C1)B(O)O LN00004521 [1,1,0,0,0,0|1,1,0]=4 81 B8R1.7 CC(=O)C1=CC=CS1 AC510514 [1,1,0,0,0,0|0,1,1]=4 82 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [1,1,0,0,0,0|0,0,0]=2 83 B8R1.7 CC(C)C1=NC=CN1 AC130259 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.7 CC(C)N1C=CC=N1 AC130056 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.7 CC(N)C1=NC=CS1 AC182658 [1,1,0,0,0,0|1,1,0]=4 86 B8R1.7 OB(O)C1=CC=CO1 AC130268 [1,1,0,0,0,0|1,1,0]=4 87 B8R1.7 OC(=O)C1=CC=CO1 AC510992 [1,1,0,0,0,0|0,1,1]=4 88 B8R1.11 CN1C=CC=C1CN LN00001692 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.11 NC1=C(CO)SC=C1 AC050128 [1,1,0,0,0,0|0,2,0]=4 90 B10R1.1 CNCC1=CC=C(Br)C=C1 AC181858 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.1 CNCC1=CC=C(C)C=C1 AC181832 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.1 CNCC1=CC=C(Cl)C=C1 AC180340 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.10 CCCC1=NC=CC(=C1)Br LN02162802 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.10 CNCC1=CC=CC(Br)=C1 AC181856 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.10 CNCC1=CC=CC(F)=C1 AC181857 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.10 COCC1=NC=CC(N)=N1 AC182595 [0,1,0,0,0,1|1,1,0]=4 98 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [0,1,0,0,0,1|2,0,0]=4 100 B10R1.17 COCOC1=CN=CC=C1 AC080496 [0,1,0,0,0,1|1,1,0]=4 101 B10R1.17 OCCCC1=CC=NC=C1 AC180489 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.18 CC(=O)CC1=CC=NC=C1 AC180731 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 AC021262 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.14 COC(=O)C1=CC(Br)=CO1 AC020441 [0,2,0,0,0,0|0,1,1]=4 107 B10R1.14 COC(=O)C1=CC=C(Br)O1 AC180679 [0,2,0,0,0,0|0,1,1]=4 108 B10R1.149 COC(=O)C1=C(C)C=CO1 AC130320 [0,2,0,0,0,0|0,1,1]=4 109 B8R1.5 CC1=NC=CC=C1O AC180647 [0,0,1,1,0,0|2,0,0]=4 110 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [0,0,0,1,0,1|2,0,0]=4 111 B10R2.7 C1NCC2=C1C=CC=C2 AC181687 [0,0,0,1,0,1|2,0,0]=4 112 B10R2.7 C1NCC2=CN=CC=C12 AC182745 [0,0,0,1,0,1|2,0,0]=4 113 B10R2.7 C1OCC2=C1C=CC=C2 AC010325 [0,0,0,1,0,1|1,1,0]=4