0 B7R0.1 BrCCCCCCBr SBB060205 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 C#CCNCCCC SBB300093 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C=CCCCCCC SBB059884 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C=CCSCCCC SBB058522 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 CCCC#CCCO SBB008799 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 CCCCC#CCO SBB008796 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 CCCCCCC#N SBB060052 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 CCCCCCCBr SBB059936 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 CCCCCCCCl SBB059954 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.1 CCCCCCCN SBB059985 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.1 CCCCCCOC SBB061157 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.1 CCCCNCCC SBB059822 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.1 CCCCOCCBr SBB007731 [0,0,0,0,0,0|2,1,0]=3 13 B7R0.1 CCCCOCCCl SBB059964 [0,0,0,0,0,0|2,1,0]=3 14 B7R0.1 CCCCOCCO SBB059918 [0,0,0,0,0,0|2,1,0]=3 15 B7R0.1 CCCCSCCN SBB072659 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.1 CCCCSCCO SBB013616 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.1 CCCCSCCS SBB057435 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.1 CCCNCCC#N SBB059761 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 CCCOCCCN SBB056585 [0,0,0,0,0,0|2,1,0]=3 20 B7R0.1 CCCSSCCC SBB058501 [0,0,0,0,0,0|0,0,0]=0 21 B7R0.1 CCNCCCCO SBB052126 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.1 CCNCCNCC SBB072869 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.1 COCCOCCCl SBB059966 [0,0,0,0,0,0|3,1,0]=4 24 B7R0.1 COCCOCCO SBB059920 [0,0,0,0,0,0|3,1,0]=4 25 B7R0.1 COCCOCCS SBB061387 [0,0,0,0,0,0|3,1,0]=4 26 B7R0.1 COCCSCCO SBB061070 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.1 C\C=C\CCCCC SBB059885 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.1 ClCCCCCCCl SBB060213 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.1 N#CCCSCCO SBB069588 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.1 NCCCCCCN SBB059999 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.1 NCCCNCCN SBB052120 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.1 NCCCNCCO SBB059810 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.1 NCCSSCCN SBB003325 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.1 OCCCCCCBr SBB054752 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.1 OCCCCCCCl SBB060188 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.1 OCCCCCCN SBB006584 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.1 OCCCCCCO SBB059915 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.1 OCCCCCCS SBB058615 [0,0,0,0,0,0|4,0,0]=4 39 B6R0.6 BrCCOCCBr SBB054744 [1,0,0,0,0,0|2,1,0]=4 40 B6R0.6 C#CCCCCC SBB067441 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.6 CCCCCC#N SBB060051 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.6 CCCCCCBr SBB059934 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.6 CCCCCCCl SBB059952 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.6 CCCCCCN SBB059984 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.6 CCCCCCO SBB059899 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.6 CCCCSC#N SBB056760 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.6 CCCNCCC SBB059762 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.6 CCCOCCO SBB061379 [1,0,0,0,0,0|1,1,0]=3 52 B6R0.6 CCCSCCC SBB061017 [1,0,0,0,0,0|0,0,0]=1 53 B6R0.6 CCCSCCO SBB058605 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.6 CCOCCCN SBB028180 [1,0,0,0,0,0|2,1,0]=4 55 B6R0.6 CC\C=C/CCO SBB007739 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 ClCCOCCCl SBB059969 [1,0,0,0,0,0|2,1,0]=4 57 B6R0.6 NCCCCCN SBB079706 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.6 NCCNCCN SBB059776 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.6 NCCNCCO SBB028183 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.6 NCCOCCO SBB060906 [1,0,0,0,0,0|2,1,0]=4 61 B6R0.6 NCCSCCO SBB056468 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.6 OCCNCCO SBB059779 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.6 OCCOCCCl SBB060189 [1,0,0,0,0,0|2,1,0]=4 64 B6R0.6 OCCSCCO SBB060117 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.6 SCCOCCS SBB058846 [1,0,0,0,0,0|2,1,0]=4 66 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,1,0,0,0,0|2,1,0]=4 67 B8R0.1 CCCCC(=O)OCC SBB061113 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.1 CCCCC(O)CCC SBB059905 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.1 CCCCS(=O)CCO SBB019077 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.1 CCCOC(=O)CCC SBB061105 [0,1,0,0,0,0|1,1,0]=3 71 B8R0.4 C=CCCCCCCC SBB060474 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.4 CC#CCNCCCC SBB010247 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.4 CCCCC#CCCO SBB009106 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.4 CCCCCCCC#N SBB060053 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.4 CCCCCCCC=O SBB059871 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.4 CCCCCCCCBr SBB059937 [0,1,0,0,0,0|2,0,0]=3 77 B8R0.4 CCCCCCCCCl SBB059955 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.4 CCCCCCCCN SBB059986 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.4 CCCCCCCCO SBB059902 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.4 CCCCCCCNC SBB059820 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.4 CCCCCCSCC SBB061179 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.4 CCCCCNCCO SBB059826 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.4 CCCCNCCC#N SBB017631 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.4 CCCCNCCCC SBB059755 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.4 CCCCNCCOC SBB056732 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.4 CCCCOCCC#N SBB058573 [0,1,0,0,0,0|1,1,1]=4 87 B8R0.4 CCCCOCCCC SBB060059 [0,1,0,0,0,0|1,1,0]=3 88 B8R0.4 CCCCOCCCN SBB061718 [0,1,0,0,0,0|1,1,0]=3 89 B8R0.4 CCCCSCCCC SBB060667 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.4 CCOCCOCCCl SBB060378 [0,1,0,0,0,0|2,1,0]=4 91 B8R0.4 CCOCCOCCO SBB060178 [0,1,0,0,0,0|2,1,0]=4 92 B8R0.4 CCSCCOCCO SBB061065 [0,1,0,0,0,0|2,1,0]=4 93 B8R0.4 COCCNCCOC SBB059845 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.4 COCCOCCCN SBB061669 [0,1,0,0,0,0|2,1,0]=4 95 B8R0.4 C\C=C\CSCCCC SBB061594 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.4 NCCCCCCCN SBB058724 [0,1,0,0,0,0|3,0,0]=4 97 B8R0.4 NCCCNCCCN SBB059777 [0,1,0,0,0,0|3,0,0]=4 98 B8R0.4 OCCCCCCCBr SBB061558 [0,1,0,0,0,0|3,0,0]=4 99 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.6 CCCCCC(Br)CBr SBB060499 [0,1,0,0,0,0|3,0,0]=4 101 B8R0.6 CCCCCC(O)CC SBB059904 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,0,0,0,0|1,1,1]=4 103 B8R0.7 C=C(C)CSCCCC SBB061593 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.7 CC(C)CCCCCBr SBB054753 [0,1,0,0,0,0|3,0,0]=4 105 B8R0.7 CC(C)CNCCCO SBB301242 [0,1,0,0,0,0|3,0,0]=4 106 B8R0.7 CCCCCCC(C)=O SBB060387 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.7 CCCCCCC(C)Br SBB060198 [0,1,0,0,0,0|2,0,0]=3 108 B8R0.7 CCCCCCC(C)N SBB028238 [0,1,0,0,0,0|2,0,0]=3 109 B8R0.7 CCCCCCC(C)O SBB059903 [0,1,0,0,0,0|2,0,0]=3 110 B8R0.7 CCCCCCN(C)C SBB059990 [0,1,0,0,0,0|3,0,0]=4 111 B8R0.7 CCCCNCC(C)C SBB059764 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.7 CCCCNCC(C)O SBB059782 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.7 CCCCSCC(=O)O SBB061205 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.2 BrCC1CCCCO1 SBB054944 [0,0,0,1,0,0|2,1,0]=4 116 B8R1.2 BrCC1CCCNC1 SBB019055 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.2 CCC1CCCCC1 SBB061162 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.2 CCC1CCNCC1 SBB046379 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.2 CCN1CCCCC1 SBB061409 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.2 COC1C=CCCC1 SBB060461 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.2 ClCC1CCCCO1 SBB040653 [0,0,0,1,0,0|2,1,0]=4 122 B8R1.2 N(C)C1CCCCC1 SBB004314 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.2 N1CCCCC1CC SBB004312 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.2 NCC1CCCCC1 SBB028193 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.2 NCC1CCCCN1 SBB069774 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.2 NCC1CCCCO1 SBB085471 [0,0,0,1,0,0|2,1,0]=4 127 B8R1.2 NCC1CCCOC1 SBB013821 [0,0,0,1,0,0|2,1,0]=4 128 B8R1.2 OCC1CCCCC1 SBB061328 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.2 OCC1CCCCN1 SBB058544 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.2 OCC1CCCCO1 SBB008943 [0,0,0,1,0,0|2,1,0]=4 131 B8R1.2 OCC1CCCOC1 SBB014200 [0,0,0,1,0,0|2,1,0]=4 132 B8R1.5 CC1CCCCC1N SBB061724 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.5 CC1CCCCN1C SBB060747 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.5 CC1CCCNC1C SBB027556 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.5 CC1CNCCC1O SBB300760 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.8 CCCC1OCCO1 SBB060981 [0,0,0,1,0,0|2,1,0]=4 137 B8R1.8 CCCC1OCCS1 SBB056724 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.8 ClCCN1CCCC1 SBB070714 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.8 NCCC1CCCC1 SBB072011 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.8 NCCN1CCCC1 SBB004304 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.8 OCCC1CCCC1 SBB008459 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.8 OCCN1CCCC1 SBB060257 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.22 CN1CCCNCC1 SBB056191 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.36 CCCNCC1CC1 SBB042821 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.49 C1=CCCCCCC1 SBB059890 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.49 C1CCCNCCC1 SBB059854 [0,0,0,1,0,0|2,0,0]=3 150 B5R0.2 BrCCCCBr SBB060204 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.2 CCNNCC SBB069584 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.2 CCOCCBr SBB008332 [2,0,0,0,0,0|1,1,0]=4 155 B5R0.2 CCOCCCl SBB061015 [2,0,0,0,0,0|1,1,0]=4 156 B5R0.2 CCOCCN SBB072161 [2,0,0,0,0,0|1,1,0]=4 157 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|1,0,0]=3 158 B5R0.2 CNCCCN SBB059823 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.2 FCCCCBr SBB087044 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.2 NCCCCN SBB059998 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.2 OCCCCCl SBB002444 [2,0,0,0,0,0|2,0,0]=4 163 B7R0.3 C=C(CC)CCCC SBB060475 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.3 CCCCC(Cl)CCl SBB060394 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.3 CCNCC(O)CC SBB072921 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.4 CC(C)CCCCBr SBB008833 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.4 CC(Cl)COCCCl SBB056511 [1,1,0,0,0,0|1,1,0]=4 168 B7R0.4 CCCCCC(C)=O SBB061125 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.4 CCCOCC(C)O SBB061007 [1,1,0,0,0,0|0,1,0]=3 170 B7R0.7 CCCC(=O)CCC SBB060386 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.7 CCCC(N)CCC SBB018801 [1,1,0,0,0,0|1,0,0]=3 172 B7R0.7 CCCC(O)CCC SBB061327 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.7 CCCN(C)CCC SBB061592 [1,1,0,0,0,0|1,0,0]=3 174 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,2,0,0,0,0|2,0,0]=4 175 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,2,0,0,0,0|1,1,0]=4 176 B9R0.18 CCCCC(=O)CCCC SBB060073 [0,2,0,0,0,0|2,0,0]=4 177 B9R0.18 CCCCC(=O)OCCC SBB061228 [0,2,0,0,0,0|1,1,0]=4 178 B9R0.18 CCCCN(C)CCCC SBB061560 [0,2,0,0,0,0|2,0,0]=4 179 B9R0.18 CCCCS(=O)CCCC SBB060669 [0,2,0,0,0,0|1,0,1]=4 180 B9R0.18 CCCNC(=S)NCCC SBB007909 [0,2,0,0,0,0|2,0,0]=4 181 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [0,2,0,0,0,0|1,1,0]=4 183 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.2 CCCCCCCC(C)O SBB008521 [0,2,0,0,0,0|2,0,0]=4 185 B9R0.2 CCCCCCCN(C)C SBB061364 [0,2,0,0,0,0|2,0,0]=4 186 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.2 CCOCCOCC(C)O SBB061150 [0,2,0,0,0,0|1,1,0]=4 188 B9R0.45 BrCCCCCCCCBr SBB060805 [0,2,0,0,0,0|2,0,0]=4 189 B9R0.45 C#CCCCCCCCC SBB008883 [0,2,0,0,0,0|2,0,0]=4 190 B9R0.45 C=CCCCCCCCC SBB058674 [0,2,0,0,0,0|2,0,0]=4 191 B9R0.45 CCCCCCCCC=O SBB059872 [0,2,0,0,0,0|2,0,0]=4 192 B9R0.45 CCCCCCCCCBr SBB059939 [0,2,0,0,0,0|2,0,0]=4 193 B9R0.45 CCCCCCCCCCl SBB059956 [0,2,0,0,0,0|2,0,0]=4 194 B9R0.45 CCCCCCCCCN SBB059987 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.45 CCCCCCCCCO SBB059907 [0,2,0,0,0,0|2,0,0]=4 196 B9R0.45 CCCCCCCCOC SBB061156 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.45 CCCCCCNCCN SBB058822 [0,2,0,0,0,0|2,0,0]=4 198 B9R0.45 CCCCCCNCCO SBB007879 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.45 CCCCCCOCCCl SBB060218 [0,2,0,0,0,0|2,0,0]=4 200 B9R0.45 CCCCCCOCCO SBB060173 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.45 CCCCCCSCCO SBB060444 [0,2,0,0,0,0|2,0,0]=4 202 B9R0.45 CCCCCNCCCC SBB059765 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.45 CCCCNCCOCC SBB056553 [0,2,0,0,0,0|2,0,0]=4 204 B9R0.45 CCCCSSCCCC SBB060118 [0,2,0,0,0,0|0,0,0]=2 205 B9R0.45 CCCNCCOCCO SBB059816 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.45 CCCOCCOCCCl SBB061386 [0,2,0,0,0,0|1,1,0]=4 207 B9R0.45 CCSCCCCSCC SBB061079 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.45 ClCCCCCCCCCl SBB008751 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.45 NCCCCCCCCN SBB058725 [0,2,0,0,0,0|2,0,0]=4 210 B9R0.45 OCCCCCCCCO SBB060739 [0,2,0,0,0,0|2,0,0]=4 211 B9R0.45 OCCSCCSCCO SBB059254 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.46 CCCCCCC(Cl)CCl SBB059980 [0,2,0,0,0,0|2,0,0]=4 215 B9R0.46 CCCCOCC(O)CC SBB061149 [0,2,0,0,0,0|1,1,0]=4 216 B9R0.46 CCCCOCC(O)CCl SBB059972 [0,2,0,0,0,0|1,1,0]=4 217 B9R0.46 CCCCOCC(O)CO SBB060185 [0,2,0,0,0,0|1,1,0]=4 218 B9R0.47 CCCCCC(Cl)C(C)Cl SBB060458 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.55 CC(C)CSSCC(C)C SBB060845 [0,2,0,0,0,0|0,0,0]=2 220 B7R1.1 BrCC1CCCC1 SBB054968 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.1 BrCC1CCCO1 SBB003909 [1,0,0,1,0,0|1,1,0]=4 222 B7R1.1 ClCC1CCCN1 SBB018633 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.1 ClCC1CCCO1 SBB008957 [1,0,0,1,0,0|1,1,0]=4 224 B7R1.1 NCC1CCCO1 SBB028168 [1,0,0,1,0,0|1,1,0]=4 225 B7R1.1 OCC1CCCC1 SBB008516 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.1 OCC1CCCO1 SBB058567 [1,0,0,1,0,0|1,1,0]=4 227 B7R1.1 OC[C@H]1CCCN1 SBB027252 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 BrC1CCCCC1 SBB059944 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 CC1CC=CCC1 SBB060473 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|1,0,0]=3 231 B7R1.3 CC1SCCCS1 SBB056211 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.3 CN1CCCCC1 SBB060237 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.3 FC1CCCNC1 SBB070684 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.3 N1CCC(C)CC1 SBB027302 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.3 N1CCCC(C)C1 SBB027301 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.3 N1CCCC(O)C1 SBB004193 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.3 N1CCNC(C)C1 SBB027299 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.3 NC1CCCCC1 SBB040492 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.3 NC1CCCNC1 SBB052004 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.3 NC1CCCOC1 SBB012974 [1,0,0,1,0,0|1,1,0]=4 242 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.3 N[C@H]1CCCNC1 SBB017596 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.3 OC1CCCCC1 SBB060483 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.3 OC1CCCNC1 SBB027351 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.7 CCCCC1CO1 SBB017137 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.24 C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|1,0,1]=4 249 B7R1.24 C1CCCCCC1 SBB060406 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.24 C1CNCCNC1 SBB004367 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.24 C1CNCCOC1 SBB049498 [1,0,0,1,0,0|1,1,0]=4 252 B7R1.24 N1CCCCCC1 SBB027297 [1,0,0,1,0,0|1,0,0]=3 253 B9R1.7 CCCC1OCC(C)O1 SBB060973 [0,1,0,1,0,0|1,1,0]=4 254 B9R1.8 BrCCC1CCCCN1 SBB018737 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.8 CCCC1CCCCN1 SBB017578 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.8 CCCC1CCCCN1 SBB050937 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.8 CCCC1OCCCO1 SBB060994 [0,1,0,1,0,0|1,1,0]=4 258 B9R1.8 CCCN1CCCCC1 SBB061042 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.8 CCCN1CCNCC1 SBB056132 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.8 CCCN1CCOCC1 SBB061033 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.8 COCC1CCCNC1 SBB050890 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.8 N1CCN(CCC)CC1 SBB005871 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.8 NCCC1CCCCC1 SBB051424 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.8 NCCC1CCCCO1 SBB072556 [0,1,0,1,0,0|1,1,0]=4 265 B9R1.8 NCCC1CCCOC1 SBB050548 [0,1,0,1,0,0|1,1,0]=4 266 B9R1.8 OCCC1CCCCN1 SBB027305 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.12 CCCCN1CCCC1 SBB061041 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.12 CCCNC1CCCC1 SBB080044 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.12 CCNCC1CCCO1 SBB080022 [0,1,0,1,0,0|1,1,0]=4 270 B9R1.12 NCCCN1CCCC1 SBB005799 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.15 CCC1CCCOC1=O SBB061552 [0,1,0,1,0,0|1,1,0]=4 272 B9R1.50 NC1CCCCCCC1 SBB004245 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.50 OC1CCCCCCC1 SBB058905 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.83 CCCCCCC1CO1 SBB017138 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.83 CCCCOCC1CO1 SBB060096 [0,1,0,1,0,0|1,1,0]=4 277 B9R1.89 CCN1CCCCCC1 SBB056278 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.89 CCN1CCCNCC1 SBB056277 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.1 CCC1CCC(C)NC1 SBB085696 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.1 CCC1CCC(N)CC1 SBB085697 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.1 CCC1CCC(O)CC1 SBB058793 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.3 CC1CCCC(N)C1C SBB061727 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.6 CC(C)C1CCCCC1 SBB061161 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.13 CC(N)CN1CCCC1 SBB014676 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.13 CC(O)CN1CCCC1 SBB056722 [0,1,0,1,0,0|2,0,0]=4