0 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.74 CCCCCCCC(C)C=O SBB061221 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.74 CCOCCOCC(O)CCl SBB061084 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.2 CCCCCCCC(=O)O SBB060020 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.2 CCCCCCCC(C)=O SBB061540 [1,0,0,0,0,0|0,0,3]=4 7 B9R0.2 CCCCCCCC(C)O SBB008521 [1,0,0,0,0,0|0,0,1]=2 8 B9R0.2 CCCCCCCC(N)=O SBB061055 [1,0,0,0,0,0|1,0,2]=4 9 B9R0.2 CCCCCCCN(C)C SBB061364 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.2 CCCCSCCC(=O)O SBB001705 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.2 CCOCCOCC(C)O SBB061150 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.2 NCCCCCCC(=O)O SBB072673 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.2 O=C(O)CCCCCCO SBB059715 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.45 BrCCCCCCCCBr SBB060805 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.45 C#CCCCCCCCC SBB008883 [1,0,0,0,0,0|0,0,2]=3 16 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [1,0,0,0,0,0|1,0,2]=4 17 B9R0.45 C=CCCCCCCCC SBB058674 [1,0,0,0,0,0|0,0,0]=1 18 B9R0.45 CCCCCCCCC=O SBB059872 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.45 CCCCCCCCCBr SBB059939 [1,0,0,0,0,0|1,0,1]=3 20 B9R0.45 CCCCCCCCCCl SBB059956 [1,0,0,0,0,0|1,0,1]=3 21 B9R0.45 CCCCCCCCCN SBB059987 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.45 CCCCCCCCCO SBB059907 [1,0,0,0,0,0|1,0,1]=3 23 B9R0.45 CCCCCCCCOC SBB061156 [1,0,0,0,0,0|1,0,1]=3 24 B9R0.45 CCCCCCCOC=O SBB060303 [1,0,0,0,0,0|2,0,0]=3 25 B9R0.45 CCCCCCNCCN SBB058822 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.45 CCCCCCNCCO SBB007879 [1,0,0,0,0,0|2,0,1]=4 27 B9R0.45 CCCCCCOCCCl SBB060218 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.45 CCCCCCOCCO SBB060173 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.45 CCCCCCSCCO SBB060444 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.45 CCCCCNCCCC SBB059765 [1,0,0,0,0,0|1,0,2]=4 31 B9R0.45 CCCCCOCCC#N SBB061167 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.45 ClCCCCCCCCCl SBB008751 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.45 NCCCCCCCCN SBB058725 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.45 OCCCCCCCCO SBB060739 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [1,0,0,0,0,0|1,0,2]=4 36 B9R0.46 CCCCCCC(Cl)CCl SBB059980 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.46 CCCCOCC(O)CC SBB061149 [1,0,0,0,0,0|1,0,2]=4 38 B9R0.46 CCCCOCC(O)CCl SBB059972 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.46 CCCCOCC(O)CO SBB060185 [1,0,0,0,0,0|2,0,1]=4 40 B11R0.40 C=CS(=O)CCCCCCCC SBB013614 [0,1,0,0,0,0|1,0,1]=3 41 B11R0.40 CCCCCCCCC(Br)CBr SBB060685 [0,1,0,0,0,0|2,0,1]=4 42 B11R0.40 CCCCCCCCC(Cl)CCl SBB060507 [0,1,0,0,0,0|2,0,1]=4 43 B11R0.40 CCCCCCOCC(O)CCl SBB059973 [0,1,0,0,0,0|1,0,1]=3 44 B11R0.40 CCCCCCOCC(O)CO SBB060186 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.1 [C@H]1(N)CC[C@@H](CCCC)CC1 SBB059718 [0,0,0,1,0,0|1,0,2]=4 46 B11R1.1 [C@H]1(O)CC[C@H](CCCC)CC1 SBB059708 [0,0,0,1,0,0|0,0,2]=3 47 B11R1.40 C=CC(=O)NC1CCCCC1 SBB056517 [0,0,0,1,0,0|1,0,2]=4 48 B11R1.40 CNC(C)CC1CCCCC1 SBB050337 [0,0,0,1,0,0|2,0,1]=4 49 B11R1.40 NC(CO)CC1CCCCC1 SBB057172 [0,0,0,1,0,0|2,0,1]=4 50 B8R0.4 C#CCCCCCCO SBB062745 [2,0,0,0,0,0|0,0,2]=4 51 B8R0.4 C=CCCCCCCC SBB060474 [2,0,0,0,0,0|0,0,0]=2 52 B8R0.4 CCCCC#CCCO SBB009106 [2,0,0,0,0,0|0,0,2]=4 53 B8R0.4 CCCCCC#CCO SBB009105 [2,0,0,0,0,0|0,0,2]=4 54 B8R0.4 CCCCCCCC#N SBB060053 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.4 CCCCCCCC=O SBB059871 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.4 CCCCCCCCBr SBB059937 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.4 CCCCCCCCCl SBB059955 [2,0,0,0,0,0|1,0,0]=3 58 B8R0.4 CCCCCCCCN SBB059986 [2,0,0,0,0,0|1,0,0]=3 59 B8R0.4 CCCCCCCCO SBB059902 [2,0,0,0,0,0|0,0,0]=2 60 B8R0.4 CCCCCCCNC SBB059820 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.4 CCCCCCNC=O SBB061175 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.4 CCCCCCOC=O SBB060302 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.4 CCCCCCSCC SBB061179 [2,0,0,0,0,0|1,0,1]=4 64 B8R0.4 CCCCCNCCO SBB059826 [2,0,0,0,0,0|1,0,0]=3 65 B8R0.4 CCCCNCCCC SBB059755 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.4 CCCCOCCCC SBB060059 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.4 CCCCOCCCN SBB061718 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.4 CCCCSCCCC SBB060667 [2,0,0,0,0,0|1,0,1]=4 69 B8R0.4 CCOCCOCCO SBB060178 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.4 CCSCCOCCO SBB061065 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.4 NCCCCCCCN SBB058724 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.4 OCCCCCCCBr SBB061558 [2,0,0,0,0,0|1,0,0]=3 73 B8R0.7 CCCCCCC(=O)O SBB053587 [2,0,0,0,0,0|1,0,1]=4 74 B8R0.7 CCCCCCC(C)Br SBB060198 [2,0,0,0,0,0|1,0,1]=4 75 B8R0.7 CCCCCCC(C)N SBB028238 [2,0,0,0,0,0|1,0,1]=4 76 B8R0.7 CCCCCCC(C)O SBB059903 [2,0,0,0,0,0|0,0,1]=3 77 B8R0.7 CCCCNCC(C)O SBB059782 [2,0,0,0,0,0|1,0,1]=4 78 B8R0.6 C#CC(O)CCCCC SBB009107 [2,0,0,0,0,0|0,0,2]=4 79 B8R0.6 CCCCCC(O)CC SBB059904 [2,0,0,0,0,0|0,0,2]=4 80 B10R0.4 CCCCCCCCB(O)O SBB071319 [1,1,0,0,0,0|2,0,0]=4 81 B10R0.4 CCCCCCCCC(=O)O SBB058693 [1,1,0,0,0,0|1,0,1]=4 82 B10R0.4 CCCCCCNCC(C)O SBB059797 [1,1,0,0,0,0|0,0,1]=3 83 B10R0.4 OC(=O)CCCCCCCN SBB006735 [1,1,0,0,0,0|1,0,1]=4 84 B10R0.22 CCCCCCCP(=O)(O)O SBB057478 [1,1,0,0,0,0|2,0,0]=4 85 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [1,1,0,0,0,0|1,0,1]=4 86 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [1,1,0,0,0,0|1,0,1]=4 87 B10R0.71 C=CCCCCCCCCBr SBB059351 [1,1,0,0,0,0|0,0,0]=2 88 B10R0.71 C=CCCCCCCCCC SBB009051 [1,1,0,0,0,0|0,0,0]=2 89 B10R0.71 CCCCCCCCCC=O SBB058676 [1,1,0,0,0,0|0,0,1]=3 90 B10R0.71 CCCCCCCCCCBr SBB008838 [1,1,0,0,0,0|0,0,2]=4 91 B10R0.71 CCCCCCCCCCCl SBB059957 [1,1,0,0,0,0|0,0,2]=4 92 B10R0.71 CCCCCCCCCCF SBB087464 [1,1,0,0,0,0|0,0,2]=4 93 B10R0.71 CCCCCCCCCCO SBB059908 [1,1,0,0,0,0|0,0,2]=4 94 B10R0.71 CCCCCCCCCNC SBB059836 [1,1,0,0,0,0|0,0,2]=4 95 B10R0.71 CCCCCCCCN=C=O SBB068604 [1,1,0,0,0,0|1,0,1]=4 96 B10R0.71 CCCCCCCCN=C=S SBB058874 [1,1,0,0,0,0|1,0,1]=4 97 B10R0.71 CCCCCCCCNC=O SBB061176 [1,1,0,0,0,0|1,0,0]=3 98 B10R0.71 CCCCCCCCOCC SBB061155 [1,1,0,0,0,0|0,0,2]=4 99 B10R0.71 CCCCCCCOCCCl SBB060219 [1,1,0,0,0,0|1,0,1]=4 100 B10R0.71 CCCCCCCOCCO SBB060174 [1,1,0,0,0,0|1,0,1]=4 101 B10R0.71 CCCCCCCSCCO SBB019264 [1,1,0,0,0,0|1,0,1]=4 102 B10R0.71 CCCCCCNCCCC SBB059766 [1,1,0,0,0,0|0,0,2]=4 103 B10R0.71 CCCCCSCCCCC SBB060112 [1,1,0,0,0,0|0,0,2]=4 104 B10R0.71 NCCCCCCCCCN SBB058794 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.71 OCCCCCCCCCO SBB008482 [1,1,0,0,0,0|1,0,1]=4 106 B10R0.71 SCCCCCCCCCS SBB066560 [1,1,0,0,0,0|1,0,1]=4 107 B10R0.71 [NH2+](CCCC)CCCCCC SBB061637 [1,1,0,0,0,0|0,0,2]=4 108 B12R0.1 CCCCCCCCC(O)CCC SBB059911 [0,2,0,0,0,0|0,0,2]=4 109 B12R0.206 CCCCCCCC(O)CCCC SBB059912 [0,2,0,0,0,0|0,0,2]=4 110 B12R0.248 CCCCCCCCCC(C)C=O SBB060149 [0,2,0,0,0,0|2,0,0]=4 111 B12R0.248 CCCCCCCCCC(O)CC SBB059910 [0,2,0,0,0,0|0,0,2]=4 112 B12R0.248 CCCCOCCOCC(O)CCl SBB061085 [0,2,0,0,0,0|1,0,1]=4 113 B12R0.312 C=CS(=O)(=O)CCCCCCCC SBB019382 [0,2,0,0,0,0|1,0,1]=4 114 B12R0.46 CCCCCCC(O)C(N)C(=O)O SBB072843 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.10 CCCC1OCCC(C)O1 SBB060972 [1,0,0,1,0,0|1,0,1]=4 116 B10R1.18 CC(O)CN1CCCCC1 SBB056526 [1,0,0,1,0,0|1,0,1]=4 117 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [1,0,0,1,0,0|1,0,1]=4 118 B10R1.66 CC(O)CCC1CCCO1 SBB001585 [1,0,0,1,0,0|1,0,1]=4 119 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [1,0,0,1,0,0|1,0,1]=4 120 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [1,0,0,1,0,0|1,0,1]=4 121 B10R1.4 C=CCC1CCCCC1=O SBB006544 [1,0,0,1,0,0|1,0,1]=4 122 B10R1.17 N(CC=C)C1CCCCC1 SBB004174 [1,0,0,1,0,0|1,0,0]=3 123 B10R1.17 OCCCC1CCCCC1 SBB058808 [1,0,0,1,0,0|1,0,1]=4 124 B10R1.161 O=CC1CCCCCCC1 SBB059655 [1,0,0,1,0,0|1,0,0]=3 125 B10R1.161 OCC1CCCCCCC1 SBB051438 [1,0,0,1,0,0|1,0,1]=4 126 B10R1.1 CCCC1CCC(O)CC1 SBB055278 [1,0,0,1,0,0|0,0,2]=4 127 B10R1.232 C#CC1(O)CCCCCC1 SBB002536 [1,0,0,1,0,0|0,0,2]=4 128 B12R1.27 NCC(O)COC1CCCCC1 SBB042048 [0,1,0,1,0,0|1,0,1]=4 129 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O SBB065823 [0,1,0,1,0,0|2,0,0]=4