0 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.2 CCCC(=O)OC(=O)CCC SBB040852 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.2 CCNC(=O)CC(=O)NCC SBB000126 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.2 CCOC(=N)CC(=O)OCC SBB002620 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.2 CCOC(=O)CC(=O)OCC SBB040813 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.2 CCOC(=O)C[C@H](O)CC#N SBB067618 [0,0,0,0,0,0|1,0,1]=2 7 B10R0.2 CCOC(=O)NC(=O)OCC SBB008155 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.2 CCOC(=O)\C=C(/C)OCC SBB058446 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.2 CCOC(=O)\C=C(/N)OCC SBB003590 [0,0,0,0,0,0|2,0,2]=4 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|1,0,0]=2 12 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,0,0,0,0,0|0,0,0]=1 13 B9R0.5 CCCCOC(=O)CCC SBB061107 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.5 CCOC(=O)CCCCBr SBB070781 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.5 CCOC(=O)CCN=C=O SBB046971 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [1,0,0,0,0,0|1,0,2]=4 17 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [1,0,0,0,0,0|1,0,2]=4 18 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [1,0,0,0,0,0|2,0,0]=3 19 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [1,0,0,0,0,0|1,0,0]=2 20 B11R0.177 CCOC(=O)C(Br)C(=O)OCC SBB070853 [0,1,0,0,0,0|1,0,2]=4 21 B11R0.177 CCOC(=O)C(F)C(=O)OCC SBB089387 [0,1,0,0,0,0|1,0,2]=4 22 B11R0.177 [NH3+]C(C(=O)OCC)C(=O)OCC SBB061662 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.30 CCOC(=O)CN1CCCC1 SBB111745 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.199 CCOC(=O)C1CCCC1=O SBB048123 [0,0,0,1,0,0|0,0,2]=3 25 B11R1.334 CCOC(=O)CC(=O)C1CC1 SBB025114 [0,0,0,1,0,0|0,0,2]=3 26 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,0,0,0,1,0|1,0,0]=2 27 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,0,0,0,1,0|1,0,2]=4 28 B11R0.62 CCOC(=O)CCC(=O)OCC SBB040923 [0,0,0,0,0,1|1,0,2]=4 29 B11R0.62 CCOC(=O)CSC(=O)OCC SBB054128 [0,0,0,0,0,1|1,0,2]=4 30 B8R0.1 CCC#CC(=O)OCC SBB008819 [2,0,0,0,0,0|0,0,2]=4 31 B8R0.1 CCCCC(=O)OCC SBB061113 [2,0,0,0,0,0|0,0,0]=2 32 B8R0.1 CCCCC(O)CCC SBB059905 [2,0,0,0,0,0|0,0,1]=3 33 B8R0.1 CCCOC(=O)CCC SBB061105 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.1 CCOC(=O)CCCBr SBB070757 [2,0,0,0,0,0|1,0,0]=3 35 B8R0.1 CCOC(=O)CCCN SBB003878 [2,0,0,0,0,0|1,0,0]=3 36 B8R0.1 CCOC(=O)NCCO SBB079074 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.4 CCCCCCSCC SBB061179 [2,0,0,0,0,0|0,1,1]=4 38 B8R0.6 CCCC#CC(=O)OC SBB069575 [2,0,0,0,0,0|0,0,2]=4 39 B8R0.6 CCCCCC(=O)CC SBB060388 [2,0,0,0,0,0|0,0,0]=2 40 B8R0.6 CCCCCC(=O)NN SBB021010 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.6 CCCCCC(=O)NO SBB008093 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.6 CCCCCC(=O)OC SBB060591 [2,0,0,0,0,0|0,0,0]=2 43 B8R0.6 CCCCCC(O)CC SBB059904 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.6 CCCCNC(=O)CCl SBB010319 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.6 CCCCOC(=O)CC SBB060578 [2,0,0,0,0,0|1,0,0]=3 46 B8R0.6 CCCCOC(=O)CCl SBB060760 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.6 CCCCOC(=O)CF SBB085867 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.6 CCCCOC(=O)CS SBB061004 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.6 COC(=O)CCCCBr SBB070759 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.5 CCCC(C)CC(=O)O SBB061321 [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|1,0,1]=4 52 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [2,0,0,0,0,0|0,0,2]=4 53 B8R0.5 CCOC(=O)CC(C)C SBB061114 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.5 CCOC(=O)CC(C)N SBB108871 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.19 CCC(=O)OC(C)CC SBB061103 [2,0,0,0,0,0|2,0,0]=4 56 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [1,1,0,0,0,0|0,0,1]=3 57 B10R0.1 CCCCCCC(=O)OCC SBB061117 [1,1,0,0,0,0|0,0,0]=2 58 B10R0.1 CCCCCOC(=O)CCC SBB060758 [1,1,0,0,0,0|1,0,0]=3 59 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [1,1,0,0,0,0|0,0,0]=2 60 B10R0.3 CCCC(=O)OCCC(C)C SBB061109 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.3 CCOC(=O)CCCC(=O)Cl SBB058617 [1,1,0,0,0,0|1,0,1]=4 62 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [1,1,0,0,0,0|0,0,0]=2 63 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [1,1,0,0,0,0|1,0,0]=3 64 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [1,1,0,0,0,0|1,0,0]=3 65 B10R0.24 CCCCCC(CO)CCC SBB043960 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [1,1,0,0,0,0|0,0,0]=2 67 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,1,0,0,1,0|1,0,0]=3 68 B12R0.22 CCOC(=O)CC(OCC)OCC SBB054126 [0,2,0,0,0,0|1,0,0]=3 69 B10R1.10 CCCC1CCOC(C)S1 SBB058540 [1,0,0,1,0,0|0,1,1]=4 70 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.19 O=C1CCCCCN1CO SBB001697 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.21 CCCCCC1OCCO1 SBB060997 [1,0,0,1,0,0|0,0,2]=4 73 B10R1.21 CCCNCC1CCCO1 SBB010297 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.78 O=C1CCCCCCCN1 SBB058438 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.137 CCOC(=O)C=C1CCC1 SBB054044 [1,0,0,1,0,0|0,0,2]=4 76 B10R1.8 CCN1CC(C)CC(O)C1 SBB002881 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.22 CC1CC(O)CN(C)C1C SBB002865 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.27 COC(=O)CC1CCCO1 SBB014349 [1,0,0,1,0,0|0,0,0]=2 79 B10R1.401 CCOC(=O)C1(N)CCC1 SBB003753 [0,0,0,1,1,0|1,0,0]=3 80 B12R1.17 CCOC(=O)C1CCCC(=O)C1 SBB054035 [0,0,0,1,0,1|0,0,2]=4 81 B12R1.17 CCOC(=O)C1CCCN(C)C1 SBB057245 [0,0,0,1,0,1|2,0,0]=4 82 B12R1.51 CCOC(=O)CCN1CCCC1 SBB046590 [0,0,0,1,0,1|2,0,0]=4 83 B12R1.318 CCOC(=O)CN1CCCC1=O SBB088501 [0,0,0,1,0,1|0,0,2]=4 84 B12R1.32 CCOC(=O)CC1CCCCO1 SBB014325 [0,1,0,1,0,0|0,0,0]=2 85 B12R1.32 CCOC(=O)CC1CCNCC1 SBB062746 [0,1,0,1,0,0|1,0,0]=3 86 B12R1.32 CCOC(=O)CN1CCCCC1 SBB057365 [0,1,0,1,0,0|2,0,0]=4 87 B12R1.32 CCOC(=O)CN1CCNCC1 SBB042765 [0,1,0,1,0,0|2,0,0]=4 88 B12R1.308 CCOC(=O)C1CCCCC1=O SBB057217 [0,1,0,1,0,0|0,0,2]=4 89 B12R1.308 CCOC(=O)C1CCCNC1=O SBB002124 [0,1,0,1,0,0|0,0,2]=4 90 B12R1.308 CCOC(=O)C1CNCCC1=O SBB003473 [0,1,0,1,0,0|0,0,2]=4 91 B12R1.55 CCOC(=O)C(C)N1CCCC1 SBB046592 [0,1,0,1,0,0|2,0,0]=4 92 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [1,0,0,0,1,0|0,0,2]=4 93 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [1,0,0,0,1,0|1,0,0]=3 94 B8R0.3 CCOC(=O)C(N)CC SBB072718 [1,0,0,0,1,0|1,0,0]=3 95 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [1,0,0,0,1,0|2,0,0]=4 96 B8R0.3 COC(=O)C(C)CCCl SBB054131 [1,0,0,0,1,0|2,0,0]=4 97 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [1,0,0,0,1,0|2,0,0]=4