0 B8R0.1 C#CCCC(=O)CCO LN02210609 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCOC(=O)CCCI LN00197663 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.1 CCOC(=O)CCNC AC020893 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.1 COCCOCCN AC511654 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.3 COC(=O)CCCBr AC511051 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.3 COC(=O)CCCN AC510644 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.7 CCCC(O)COC AC010185 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.7 CCOC(=O)CCBr AC510407 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.7 CCOC(=O)CCI AC180478 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.7 CCOC(=O)CNN AC180293 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.7 COCC(=O)COC AC512018 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.7 ClCCC(=O)CCCl AC270026 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.5 CCO/C=C/C(=O)OCC AC180239 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.5 CCOC(=O)CCCCBr AC511147 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.5 CCOC(=O)COCCCl AC512070 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.34 CCOC(=O)CC(=O)CC AC511712 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.48 CCOC(=O)CCC(C)=O AC510825 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.27 CCC1=C(C)CNC1=O AC180824 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.33 NCCN1CCNC1=O AC290046 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.48 O=C1CCCCC(=O)C1 AC181368 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.49 CN1CCCC(=O)CC1 AC182168 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.49 CN1CCNC(=O)CC1 AC182365 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.50 O=C1CCCCCCC1 AC510797 [0,0,0,1,0,0|1,0,0]=2 23 B9R1.73 CCOC(=O)C1CCC1 AC180015 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.75 CCOC(=O)CC1CC1 AC050573 [0,0,0,1,0,0|2,0,0]=3 25 B6R0.1 CCOC(=O)CI AC131813 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.1 CCOC(=O)CO AC130521 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.1 CCOC(=O)CS AC130132 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.1 COC(=O)CCBr AC511067 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.1 COC(=O)CCN AC510724 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.4 CC(=O)CCCCl AC511746 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 CC(=O)OCCBr AC511000 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.4 CCCOC(N)=O AC512151 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.3 CCCC(Br)C(=O)OC AC020863 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.3 CCC[C@@H](N)C(=O)OC AC020453 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.5 CC(C)OC(=O)OCCl AC511675 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.5 CCCC(C)CC(C)C AC220173 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.5 CCOC(=O)CC(N)=N AC182051 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.5 CCOC(=O)CC(N)=O AC180464 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.5 CCOC(=O)CC([O-])=O AC130069 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.5 CCOC(=O)C[C@@H](C)O AC180621 [1,1,0,0,0,0|0,0,0]=2 41 B8R0.30 CCOP(O)(=O)OCC HY-101417 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.2 OCC1CCCOC1 AC050373 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.5 CC1COCCC1N AC050303 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.22 CC1CCCCNC1 LN00001181 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.1 BrCC1CCC(=O)O1 AC021454 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.1 BrC[C@@H]1CCC(=O)N1 AC020723 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.1 OCC1CCC(=O)N1 AC160496 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.1 OC[C@@H]1CCC(=O)N1 AC020686 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.1 OC[C@@H]1CCC(=O)O1 AC180593 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.1 OC[C@H]1CCC(=O)N1 AC170007 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.3 NC1CCC(=O)CC1 AC511876 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.3 OC1CCC(=O)CC1 AC070138 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.3 OC1CCC(=O)NC1 AC050438 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.3 O[C@@H]1CCC(=O)NC1 AC050213 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.3 O[C@H]1CCC(=O)NC1 AC050474 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.4 CC1CC(=O)CCO1 AC220032 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.4 CC1CCCC(N)C1 AC050625 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.4 CN1CCCC(=O)C1 AC182125 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.4 CN1CCNC(=O)C1 AC182677 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.4 CN1CCOC(=O)C1 AC170002 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.4 O=C1CCCC(=O)C1 AC510798 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.4 OC1CCNC(=O)C1 AC182440 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.61 CC(=O)C1CCCCC1=O AC220177 [0,1,0,1,0,0|1,0,1]=4 64 B10R1.61 CC(C)C1CNCCC1=O AC050379 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.11 CCOC(=O)C1CCNC1 AC182738 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.29 CCCCN1CCCC1=O AC510202 [0,1,0,1,0,0|1,0,0]=3 67 B10R1.137 CCOC(=O)CC1CCC1 AC050526 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.137 CCOC(=O)CC1COC1 AC050275 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.138 CCCC(=O)OC[C@H]1CO1 AC180614 [0,1,0,1,0,0|0,0,0]=2 70 B10R1.34 OC[C@H]1OC(=O)[C@H](O)[C@@H]1O AC021161 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.4 OCCN1CCNCC1=O AC051171 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.401 CCOC(=O)C1(N)CCC1 AC050357 [0,1,0,1,0,0|2,0,0]=4 73 B10R2.62 O=C1CN2CCC1CC2 AC020660 [0,0,0,2,0,0|2,0,0]=4 74 B10R2.62 O=C1CN2CCC1CC2 AC020668 [0,0,0,2,0,0|2,0,0]=4