0 B8R0.1 C#CCCC(=O)CCO LN02210609 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCOC(=O)/C=C/C=O AC511142 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.1 CCOC(=O)CCCI LN00197663 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.1 CCOC(=O)CCNC AC020893 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.3 COC(=O)CCCBr AC511051 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.3 COC(=O)CCCN AC510644 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.7 CCOC(=O)CCBr AC510407 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.7 CCOC(=O)CCI AC180478 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.7 CCOC(=O)CNN AC180293 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.7 COCC(=O)COC AC512018 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.7 ClCCC(=O)CCCl AC270026 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.5 CCO/C=C/C(=O)OCC AC180239 [0,1,0,0,0,0|0,0,2]=3 12 B9R0.5 CCOC(=O)CCCCBr AC511147 [0,1,0,0,0,0|0,0,0]=1 13 B9R0.5 CCOC(=O)COCCCl AC512070 [0,1,0,0,0,0|1,0,0]=2 14 B9R0.34 CCOC(=O)CC(=O)CBr AC130161 [0,1,0,0,0,0|1,0,1]=3 15 B9R0.34 CCOC(=O)CC(=O)CC AC511712 [0,1,0,0,0,0|0,0,1]=2 16 B9R0.34 CCOC(=O)CC(=O)CCl AC130329 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.34 CCOC(=O)CC(=O)NN AC200033 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.48 CCOC(=O)CCC(C)=O AC510825 [0,1,0,0,0,0|0,0,1]=2 19 B9R1.27 CCC1=C(C)CNC1=O AC180824 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.33 NCCN1CCNC1=O AC290046 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.48 O=C1CCCCC(=O)C1 AC181368 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.49 CN1CCCC(=O)CC1 AC182168 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.49 CN1CCNC(=O)CC1 AC182365 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.50 O=C1CCCCCCC1 AC510797 [0,0,0,1,0,0|1,0,0]=2 25 B9R1.73 CCOC(=O)C1CCC1 AC180015 [0,0,0,1,0,0|0,0,0]=1 26 B9R1.75 CCOC(=O)CC1CC1 AC050573 [0,0,0,1,0,0|0,0,0]=1 27 B6R0.1 CCOC(=O)CI AC131813 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.1 CCOC(=O)CO AC130521 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.1 CCOC(=O)CS AC130132 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.1 COC(=O)CCBr AC511067 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.1 COC(=O)CCN AC510724 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.4 CC(=O)CCCCl AC511746 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.4 CC(=O)OCCBr AC511000 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 CCCCB(O)O AC090160 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.4 CCCOC(N)=O AC512151 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 COCCC(O)=O AC100057 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.4 CSCCC(O)=O HY-101401 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.4 OC(=O)CCC#C AC510868 [2,0,0,0,0,0|0,0,2]=4 39 B6R0.4 OC(=O)CCC#N AC512077 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.4 OC(=O)CCC=C AC511045 [2,0,0,0,0,0|0,0,2]=4 41 B6R0.4 OC(=O)CCCBr AC511629 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.3 CCCC(Br)C(=O)OC AC020863 [1,1,0,0,0,0|0,0,0]=2 43 B8R0.3 CCC[C@@H](N)C(=O)OC AC020453 [1,1,0,0,0,0|0,0,0]=2 44 B8R0.3 COC(=O)C(Br)CCBr AC130072 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.5 CC(C)OC(=O)OCCl AC511675 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.5 CCOC(=O)CC(N)=N AC182051 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.5 CCOC(=O)CC(N)=O AC180464 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.5 CCOC(=O)CC([O-])=O AC130069 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.5 CCOC(=O)C[C@@H](C)O AC180621 [1,1,0,0,0,0|0,0,0]=2 50 B8R0.30 CCOP(O)(=O)OCC HY-101417 [1,1,0,0,0,0|2,0,0]=4 51 B10R0.28 CC(C)(C)OC(=O)CCCO AC051149 [0,2,0,0,0,0|1,0,0]=3 52 B10R0.28 CC(C)(C)OC(=O)NCCBr AC510748 [0,2,0,0,0,0|2,0,0]=4 53 B10R0.28 CC(C)(C)OC(=O)NCCCl AC511183 [0,2,0,0,0,0|2,0,0]=4 54 B10R0.28 CC(C)(C)OC(=O)NCCN AC020714 [0,2,0,0,0,0|2,0,0]=4 55 B10R0.28 CC(C)(C)OC(=O)NCCO AC500055 [0,2,0,0,0,0|2,0,0]=4 56 B10R0.32 CCOC(=O)C(=O)CC(=O)C LN00009536 [0,2,0,0,0,0|0,0,2]=4 57 B10R0.2 CCOC(=N)CC(=O)OCC LN00010043 [0,2,0,0,0,0|0,0,1]=3 58 B10R0.2 CCOC(=O)C[C@H](O)CC#N AC180987 [0,2,0,0,0,0|0,0,1]=3 59 B10R0.109 CCOC(=O)CCC(F)(F)F AC020641 [0,2,0,0,0,0|1,0,0]=3 60 B8R1.2 BrCC1CCOCC1 AC181709 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.2 C1COCCC1CI LN00003775 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.2 C1COCCC1CN LN00001650 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.2 CNC1CCOCC1 AC220045 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.2 ICC1CCOCC1 AC170132 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.2 OCC1CCOCC1 AC181017 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.22 CC1CCCCCN1 LN00112400 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.22 CC1CCCCNC1 LN00001181 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.22 CC1CNCCCO1 LN00001905 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.1 BrCC1CCC(=O)O1 AC021454 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.1 BrC[C@@H]1CCC(=O)N1 AC020723 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.1 C=CC1COC(=O)C1 AC020673 [1,0,0,1,0,0|0,0,2]=4 72 B8R1.1 OCC1CCC(=O)N1 AC160496 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.1 OC[C@@H]1CCC(=O)N1 AC020686 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.1 OC[C@@H]1CCC(=O)O1 AC180593 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.1 OC[C@H]1CCC(=O)N1 AC170007 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.3 C[C@H]1CC[C@H](N)CC1 AC182092 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.3 NC1CCC(=O)CC1 AC511876 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.3 OC1CCC(=O)CC1 AC070138 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.3 OC1CCC(=O)NC1 AC050438 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.3 O[C@@H]1CCC(=O)NC1 AC050213 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.3 O[C@H]1CCC(=O)NC1 AC050474 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.38 COC(=O)C1CNC1 AC181339 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.50 CC1C(=O)CCC1=O AC511789 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.50 CN1C(O)CCC1=O AC050544 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.4 CC1CC(=O)CCO1 AC220032 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.4 CN1CCCC(=O)C1 AC182125 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.4 CN1CCNC(=O)C1 AC182677 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.4 CN1CCOC(=O)C1 AC170002 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.4 OC1CCNC(=O)C1 AC182440 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.61 CC(=O)C1CCCCC1=O AC220177 [0,1,0,1,0,0|1,0,1]=4 91 B10R1.61 CC(C)C1CNCCC1=O AC050379 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.10 CCCN1CCC=C(Br)C1 AC160958 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.11 CCOC(=O)C1CCNC1 AC182738 [0,1,0,1,0,0|0,0,0]=2 94 B10R1.21 BrCCCCC1OCCO1 AC050684 [0,1,0,1,0,0|0,0,2]=4 95 B10R1.29 CCCCN1CCCC1=O AC510202 [0,1,0,1,0,0|1,0,0]=3 96 B10R1.137 CCOC(=O)CC1CCC1 AC050526 [0,1,0,1,0,0|0,0,0]=2 97 B10R1.137 CCOC(=O)CC1COC1 AC050275 [0,1,0,1,0,0|0,0,0]=2 98 B10R1.138 CCCC(=O)OC[C@H]1CO1 AC180614 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.4 OCCN1CCNCC1=O AC051171 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.401 CCOC(=O)C1(N)CCC1 AC050357 [0,1,0,1,0,0|0,0,0]=2 101 B10R2.62 O=C1CN2CCC1CC2 AC020660 [0,0,0,2,0,0|2,0,0]=4 102 B10R2.62 O=C1CN2CCC1CC2 AC020668 [0,0,0,2,0,0|2,0,0]=4