0 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.2 CCCC(=O)OC(=O)CCC SBB040852 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.2 CCNC(=O)CC(=O)NCC SBB000126 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.2 CCOC(=N)CC(=O)OCC SBB002620 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.2 CCOC(=O)CC(=O)OCC SBB040813 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.2 CCOC(=O)C[C@H](O)CC#N SBB067618 [0,0,0,0,0,0|1,0,3]=4 7 B10R0.2 CCOC(=O)NC(=O)OCC SBB008155 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.2 CCOC(=O)\C=C(/C)OCC SBB058446 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.2 CCOC(=O)\C=C(/N)OCC SBB003590 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.5 CCCC#CC(=O)OCC SBB008805 [1,0,0,0,0,0|0,0,2]=3 11 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,0,0,0,0,0|0,0,1]=2 13 B9R0.5 CCCCOC(=O)CCC SBB061107 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.5 CCOC(=O)CCCCBr SBB070781 [1,0,0,0,0,0|1,0,1]=3 15 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [1,0,0,0,0,0|1,0,1]=3 16 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.34 CCOC(=O)\C=C(\C)NC SBB080741 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.34 N(C(=O)CCl)C(=O)OCC SBB003907 [1,0,0,0,0,0|2,0,0]=3 21 B11R0.177 CCOC(=O)C(Br)C(=O)OCC SBB070853 [0,1,0,0,0,0|1,0,0]=2 22 B11R0.177 CCOC(=O)C(F)C(=O)OCC SBB089387 [0,1,0,0,0,0|1,0,0]=2 23 B11R0.177 [NH3+]C(C(=O)OCC)C(=O)OCC SBB061662 [0,1,0,0,0,0|1,0,0]=2 24 B11R0.182 CCOC(=O)\C=C(\CBr)OCC SBB098732 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.30 CCOC(=O)CN1CCCC1 SBB111745 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.199 CCOC(=O)C1CCCC1=O SBB048123 [0,0,0,1,0,0|0,0,0]=1 27 B11R1.334 CCOC(=O)CC(=O)C1CC1 SBB025114 [0,0,0,1,0,0|0,0,0]=1 28 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,0,0,0,1,0|1,0,2]=4 29 B9R0.35 CCNC(=O)C(=O)NCC SBB007900 [0,0,0,0,1,0|2,0,0]=3 30 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,0,0,0,1,0|1,0,0]=2 31 B11R0.62 CCOC(=O)C#CC(=O)OCC SBB065773 [0,0,0,0,0,1|1,0,1]=3 32 B11R0.62 CCOC(=O)CCC(=O)OCC SBB040923 [0,0,0,0,0,1|1,0,0]=2 33 B11R0.62 CCOC(=O)CSC(=O)OCC SBB054128 [0,0,0,0,0,1|1,0,0]=2 34 B11R0.62 CCOC(=O)NNC(=O)OCC SBB069555 [0,0,0,0,0,1|2,0,0]=3 35 B11R0.62 CCOC(=O)\C=C/C(=O)OCC SBB060698 [0,0,0,0,0,1|1,0,1]=3 36 B8R0.1 CCC#CC(=O)OCC SBB008819 [2,0,0,0,0,0|0,0,2]=4 37 B8R0.1 CCCCC(=O)OCC SBB061113 [2,0,0,0,0,0|0,0,0]=2 38 B8R0.1 CCCOC(=O)CCC SBB061105 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.1 CCOC(=O)CCCBr SBB070757 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.1 CCOC(=O)CCCN SBB003878 [2,0,0,0,0,0|1,0,0]=3 41 B8R0.1 CCOC(=O)NCCO SBB079074 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.6 CCCC#CC(=O)OC SBB069575 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.6 CCCCCC(=O)CC SBB060388 [2,0,0,0,0,0|0,0,1]=3 45 B8R0.6 CCCCCC(=O)OC SBB060591 [2,0,0,0,0,0|0,0,1]=3 46 B8R0.6 CCCCOC(=O)CC SBB060578 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.6 COC(=O)CCCCBr SBB070759 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.5 CCCC(C)CC(=O)O SBB061321 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.5 CCOC(=O)CC(=N)N SBB010259 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [2,0,0,0,0,0|1,0,0]=3 52 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [2,0,0,0,0,0|0,0,0]=2 53 B8R0.5 CCOC(=O)CC(C)C SBB061114 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.5 CCOC(=O)CC(C)N SBB108871 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.19 CCC(=O)OC(=O)CC SBB060267 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [2,0,0,0,0,0|1,0,0]=3 58 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [1,1,0,0,0,0|0,0,2]=4 59 B10R0.1 CCCCCCC(=O)OCC SBB061117 [1,1,0,0,0,0|0,0,1]=3 60 B10R0.1 CCCCCOC(=O)CCC SBB060758 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [1,1,0,0,0,0|0,0,1]=3 62 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [1,1,0,0,0,0|0,0,1]=3 63 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [1,1,0,0,0,0|0,0,1]=3 66 B10R0.26 CCOC(=O)\C=C(\C)C(C)F SBB087448 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.32 CCOC(=O)C(=O)CC(C)=O SBB008612 [0,1,0,0,1,0|0,0,1]=3 68 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,1,0,0,1,0|1,0,1]=4 69 B12R0.69 CCOC(=O)\C=C(/O)C(=O)OCC SBB054121 [0,1,0,0,0,1|1,0,1]=4 70 B12R0.69 CCOC(=O)\C=C(/[O-])C(=O)OCC SBB061678 [0,1,0,0,0,1|1,0,1]=4 71 B12R0.78 CCOC(=O)CC(=O)OC(C)(C)C SBB054143 [0,2,0,0,0,0|1,0,0]=3 72 B12R0.103 O=C(CC(=O)NCCO)NCCO SBB000285 [0,2,0,0,0,0|2,0,0]=4 73 B12R0.8 CCOC(=O)C(=NO)C(=O)OCC SBB060864 [0,2,0,0,0,0|1,0,1]=4 74 B12R0.8 CCOC(=O)C(=NO)C(=O)OCC SBB080685 [0,2,0,0,0,0|1,0,1]=4 75 B12R0.8 CCOC(=O)C(CC)C(=O)OCC SBB060956 [0,2,0,0,0,0|1,0,0]=3 76 B12R0.731 CCOC(=O)C(F)(F)C(=O)OCC SBB091963 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.78 O=C1CCCCCCCN1 SBB058438 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.137 CCOC(=O)C=C1CCC1 SBB054044 [1,0,0,1,0,0|0,0,1]=3 80 B10R1.22 CC1CC(=O)CN(C)C1C SBB002863 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.27 COC(=O)CC1CCCO1 SBB014349 [1,0,0,1,0,0|0,0,2]=4 82 B10R1.149 O=C(CCl)N1CCCC1=O SBB017952 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.401 CCOC(=O)C1(N)CCC1 SBB003753 [0,0,0,1,1,0|1,0,1]=4 84 B12R1.17 CCOC(=O)C1CCCC(=O)C1 SBB054035 [0,0,0,1,0,1|0,0,0]=2 85 B12R1.17 CCOC(=O)C1CCCN(C)C1 SBB057245 [0,0,0,1,0,1|2,0,0]=4 86 B12R1.51 CCOC(=O)CCN1CCCC1 SBB046590 [0,0,0,1,0,1|2,0,0]=4 87 B12R1.318 CCOC(=O)CN1CCCC1=O SBB088501 [0,0,0,1,0,1|0,0,0]=2 88 B12R1.32 CCOC(=O)CC1CCCCO1 SBB014325 [0,1,0,1,0,0|0,0,2]=4 89 B12R1.32 CCOC(=O)CC1CCNCC1 SBB062746 [0,1,0,1,0,0|1,0,1]=4 90 B12R1.32 CCOC(=O)CN1CCCCC1 SBB057365 [0,1,0,1,0,0|2,0,0]=4 91 B12R1.32 CCOC(=O)CN1CCNCC1 SBB042765 [0,1,0,1,0,0|2,0,0]=4 92 B12R1.308 CCOC(=O)C1=C(N)CCCC1 SBB072592 [0,1,0,1,0,0|1,0,1]=4 93 B12R1.308 CCOC(=O)C1CCCCC1=O SBB057217 [0,1,0,1,0,0|0,0,0]=2 94 B12R1.308 CCOC(=O)C1CCCNC1=O SBB002124 [0,1,0,1,0,0|0,0,0]=2 95 B12R1.308 CCOC(=O)C1CNCCC1=O SBB003473 [0,1,0,1,0,0|0,0,0]=2 96 B12R1.55 CCOC(=O)C(C)N1CCCC1 SBB046592 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.1687 COC(=O)C(=O)CC(=O)C1CC1 SBB021376 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.2028 C12CCCCC1C(=O)OC2=O SBB058760 [0,0,0,2,0,0|2,0,0]=4 99 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [1,0,0,0,1,0|1,0,0]=3 100 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [1,0,0,0,1,0|0,0,0]=2 101 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [1,0,0,0,1,0|1,0,1]=4 102 B8R0.3 CCOC(=O)C(N)CC SBB072718 [1,0,0,0,1,0|1,0,1]=4 103 B12R0.285 CCOC(=O)COCC(=O)OCC SBB060771 [0,0,0,0,0,2|1,0,0]=3 104 B12R0.285 CCOC(=O)NCNC(=O)OCC SBB071461 [0,0,0,0,0,2|1,0,0]=3