0 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.5 CCCC#CC(=O)OCC SBB008805 [1,0,0,0,0,0|0,0,2]=3 2 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,0,0,0,0,0|0,0,0]=1 3 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,0,0,0,0,0|0,0,0]=1 4 B9R0.5 CCCCOC(=O)CCC SBB061107 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.5 CCOC(=O)CCCCBr SBB070781 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.5 CCOC(=O)CCN=C=O SBB046971 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.18 CCCCC(=O)CCCC SBB060073 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.18 CCCCC(=O)OCCC SBB061228 [1,0,0,0,0,0|0,0,0]=1 10 B9R0.18 CCCCN(C)CCCC SBB061560 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.18 CCCCS(=O)CCCC SBB060669 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.18 CCCNC(=S)NCCC SBB007909 [1,0,0,0,0,0|2,1,0]=4 13 B9R0.45 CCCCCC#CCCO SBB009142 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.45 CCCCCCCCCBr SBB059939 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.45 CCCCCCCCCCl SBB059956 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.45 CCCCCCCCCN SBB059987 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.45 CCCCCCCCCO SBB059907 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.45 CCCCCCCCOC SBB061156 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.45 CCCCCCNCCN SBB058822 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.45 CCCCCCNCCO SBB007879 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.45 CCCCCCOCCCl SBB060218 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.45 CCCCCCOCCO SBB060173 [1,0,0,0,0,0|1,0,1]=3 23 B9R0.45 CCCCCCSCCO SBB060444 [1,0,0,0,0,0|1,1,1]=4 24 B9R0.45 CCCCCNCCCC SBB059765 [1,0,0,0,0,0|2,0,0]=3 25 B9R0.45 CCCCNCCOCC SBB056553 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.45 CCCCSSCCCC SBB060118 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.45 CCCNCCOCCO SBB059816 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.45 CCCOCCOCCCl SBB061386 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [1,0,0,0,0,0|2,0,0]=3 30 B11R0.11 CCCOC(=O)C(=O)OCCC SBB060321 [0,1,0,0,0,0|1,0,1]=3 31 B11R0.46 CCCCCC(=O)OCC(C)C SBB056802 [0,1,0,0,0,0|0,0,0]=1 32 B11R0.81 CCCCCCC(C)OCCCl SBB061537 [0,1,0,0,0,0|2,0,1]=4 33 B11R0.81 CCCCCCC(C)OCCO SBB061589 [0,1,0,0,0,0|2,0,1]=4 34 B11R0.140 CCCCCC(=O)OCCCC SBB061115 [0,1,0,0,0,0|0,0,0]=1 35 B11R0.140 CCCCNC(=O)NCCCC SBB007953 [0,1,0,0,0,0|2,0,0]=3 36 B11R0.140 P(=O)(OCCCC)OCCCC SBB056826 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.17 N#CCCC1CCCCC1=O SBB005853 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.24 CCCNC1CCCC(C)C1 SBB080101 [0,0,0,1,0,0|2,0,1]=4 39 B8R0.1 C=CCOC(=O)CCC SBB061324 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.1 CCC#CC(=O)OCC SBB008819 [2,0,0,0,0,0|0,0,2]=4 41 B8R0.1 CCCC(=O)OCCCl SBB061294 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.1 CCCCC(=O)OCC SBB061113 [2,0,0,0,0,0|0,0,0]=2 43 B8R0.1 CCCCC(O)CCC SBB059905 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.1 CCCCS(=O)CCO SBB019077 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.1 CCCOC(=O)CCC SBB061105 [2,0,0,0,0,0|0,0,0]=2 46 B8R0.1 CCOC(=O)CCCBr SBB070757 [2,0,0,0,0,0|1,0,0]=3 47 B8R0.1 CCOC(=O)CCCN SBB003878 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.1 CCOC(=O)NCCO SBB079074 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.1 O=C(CCS)OCCO SBB008479 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.4 CCCCCCCCBr SBB059937 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.4 CCCCCCCCCl SBB059955 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.4 CCCCCCCCN SBB059986 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.4 CCCCCCCCO SBB059902 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.4 CCCCCCCNC SBB059820 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.4 CCCCCCSCC SBB061179 [2,0,0,0,0,0|0,1,1]=4 56 B8R0.4 CCCCCNCCO SBB059826 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.4 CCCCNCCCC SBB059755 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.4 CCCCOCCCC SBB060059 [2,0,0,0,0,0|1,0,1]=4 59 B8R0.4 CCCCSCCCC SBB060667 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.4 CCOCCOCCCl SBB060378 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.4 CCOCCOCCO SBB060178 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.4 CCSCCOCCO SBB061065 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.6 CCCC#CC(=O)OC SBB069575 [2,0,0,0,0,0|0,0,2]=4 64 B8R0.6 CCCCCC(=O)CC SBB060388 [2,0,0,0,0,0|0,0,0]=2 65 B8R0.6 CCCCCC(=O)NN SBB021010 [2,0,0,0,0,0|2,0,0]=4 66 B8R0.6 CCCCCC(=O)NO SBB008093 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.6 CCCCCC(=O)OC SBB060591 [2,0,0,0,0,0|0,0,0]=2 68 B8R0.6 CCCCCC(O)CC SBB059904 [2,0,0,0,0,0|0,0,2]=4 69 B8R0.6 CCCCNC(=O)CCl SBB010319 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.6 CCCCOC(=O)CC SBB060578 [2,0,0,0,0,0|1,0,0]=3 71 B8R0.6 CCCCOC(=O)CCl SBB060760 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.6 CCCCOC(=O)CF SBB085867 [2,0,0,0,0,0|2,0,0]=4 73 B8R0.6 CCCCOC(=O)CS SBB061004 [2,0,0,0,0,0|2,0,0]=4 74 B8R0.6 COC(=O)CCCCBr SBB070759 [2,0,0,0,0,0|1,0,0]=3 75 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [1,1,0,0,0,0|0,0,1]=3 76 B10R0.1 CCCCCCC(=O)OCC SBB061117 [1,1,0,0,0,0|0,0,0]=2 77 B10R0.1 CCCCCOC(=O)CCC SBB060758 [1,1,0,0,0,0|0,0,0]=2 78 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [1,1,0,0,0,0|0,0,0]=2 79 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [1,1,0,0,0,0|0,0,1]=3 80 B10R0.2 CCCC(=O)OC(=O)CCC SBB040852 [1,1,0,0,0,0|1,0,1]=4 81 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [1,1,0,0,0,0|1,0,0]=3 82 B10R0.2 CCOC(=N)CC(=O)OCC SBB002620 [1,1,0,0,0,0|1,0,1]=4 83 B10R0.2 CCOC(=O)CC(=O)OCC SBB040813 [1,1,0,0,0,0|1,0,1]=4 84 B10R0.2 CCOC(=O)C[C@H](O)CC#N SBB067618 [1,1,0,0,0,0|1,0,1]=4 85 B10R0.3 CCCC(=O)OCCC(C)C SBB061109 [1,1,0,0,0,0|1,0,0]=3 86 B10R0.3 CCOC(=O)CCCC(=O)Cl SBB058617 [1,1,0,0,0,0|1,0,1]=4 87 B10R0.6 CCCCOC(=O)CN(C)C SBB060887 [1,1,0,0,0,0|2,0,0]=4 88 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [1,1,0,0,0,0|0,0,0]=2 89 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [1,1,0,0,0,0|1,0,0]=3 90 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [1,1,0,0,0,0|1,0,0]=3 91 B10R0.24 CCCCCC(CO)CCC SBB043960 [1,1,0,0,0,0|0,0,2]=4 92 B10R0.156 CCCCCS(=O)(=O)CCCl SBB013613 [1,1,0,0,0,0|2,0,0]=4 93 B10R0.116 CCCCS(=O)(=O)CCCC SBB060123 [1,1,0,0,0,0|2,0,0]=4 94 B10R0.4 CCCCCCNCC(C)O SBB059797 [1,1,0,0,0,0|1,0,1]=4 95 B10R0.71 CCCCCCCCCCBr SBB008838 [1,1,0,0,0,0|1,0,1]=4 96 B10R0.71 CCCCCCCCCCCl SBB059957 [1,1,0,0,0,0|1,0,1]=4 97 B10R0.71 CCCCCCCCCCF SBB087464 [1,1,0,0,0,0|1,0,1]=4 98 B10R0.71 CCCCCCCCCCO SBB059908 [1,1,0,0,0,0|1,0,1]=4 99 B10R0.71 CCCCCCCCCNC SBB059836 [1,1,0,0,0,0|1,0,1]=4 100 B10R0.71 CCCCCCCCOCC SBB061155 [1,1,0,0,0,0|1,0,1]=4 101 B10R0.71 CCCCCCCOCCCl SBB060219 [1,1,0,0,0,0|1,0,1]=4 102 B10R0.71 CCCCCCCOCCO SBB060174 [1,1,0,0,0,0|1,0,1]=4 103 B10R0.71 CCCCCCNCCCC SBB059766 [1,1,0,0,0,0|1,0,1]=4 104 B10R0.71 CCCCCSCCCCC SBB060112 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.71 CCCCNCCOCCO SBB059813 [1,1,0,0,0,0|1,0,1]=4 106 B10R0.71 CCCCOCCOCCCl SBB059967 [1,1,0,0,0,0|1,0,1]=4 107 B10R0.71 CCCCOCCOCCO SBB059921 [1,1,0,0,0,0|1,0,1]=4 108 B10R0.71 CCCCSCCOCCO SBB056691 [1,1,0,0,0,0|1,0,1]=4 109 B10R0.71 CCCC\C=C\CCCCO SBB008885 [1,1,0,0,0,0|1,0,1]=4 110 B10R0.71 [NH2+](CCCC)CCCCCC SBB061637 [1,1,0,0,0,0|1,0,1]=4 111 B12R0.351 CCCCC(CC)C(=O)OCCC SBB061120 [0,2,0,0,0,0|0,0,0]=2 112 B12R0.47 CCCCCOC(=O)CCCCC SBB061116 [0,2,0,0,0,0|0,0,0]=2 113 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [1,0,0,1,0,0|2,0,0]=4 114 B10R1.19 O=C1CCCCCN1CO SBB001697 [1,0,0,1,0,0|2,0,0]=4 115 B10R1.21 CCCCCC1OCCO1 SBB060997 [1,0,0,1,0,0|0,0,2]=4 116 B10R1.29 O=C1CCCN1CCCO SBB056162 [1,0,0,1,0,0|2,0,0]=4 117 B10R1.78 O=C1CCCCCCCN1 SBB058438 [1,0,0,1,0,0|1,0,0]=3 118 B10R1.137 CCOC(=O)C=C1CCC1 SBB054044 [1,0,0,1,0,0|0,0,2]=4 119 B10R1.138 CCCC(=O)OC[C@H]1CO1 SBB086343 [1,0,0,1,0,0|2,0,0]=4 120 B12R1.30 CCCOC(=O)C1CCCCN1 SBB071701 [0,1,0,1,0,0|0,0,0]=2 121 B12R1.7 CCCCCCC1OCC(C)O1 SBB060959 [0,1,0,1,0,0|0,0,2]=4 122 B12R1.8 CCCNCCC1=CCCCC1 SBB005743 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.41 C1CCC2=NCCCN2CC1 SBB055512 [0,0,0,2,0,0|2,0,0]=4 124 B12R2.1081 O=C1CCCC2CCCCC12 SBB061657 [0,0,0,2,0,0|1,0,0]=3 125 B12R2.1081 [C@@H]12CCCC[C@H]1C(=O)CCN2 SBB001866 [0,0,0,2,0,0|2,0,0]=4 126 B12R2.2918 CC1COC2(CCCCC2)O1 SBB060949 [0,0,0,2,0,0|0,0,2]=4 127 B12R2.4370 C1CCC2(CC1)OCCCO2 SBB060971 [0,0,0,2,0,0|0,0,2]=4