0 B7R0.1 BrCCCCCCBr SBB060205 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.1 C#CCNCCCC SBB300093 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C=CCCCCCC SBB059884 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C=CCSCCCC SBB058522 [0,0,0,0,0,0|1,1,1]=3 4 B7R0.1 CCCC#CCCO SBB008799 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.1 CCCCC#CCO SBB008796 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.1 CCCCCCC#N SBB060052 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.1 CCCCCCCBr SBB059936 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 CCCCCCCCl SBB059954 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 CCCCCCCN SBB059985 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.1 CCCCCCOC SBB061157 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.1 CCCCCN=C=S SBB085742 [0,0,0,0,0,0|2,1,1]=4 12 B7R0.1 CCCCCOC=O SBB060301 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.1 CCCCCSC#N SBB060089 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 CCCCNCCC SBB059822 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.1 CCCCOCCBr SBB007731 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.1 CCCCOCCCl SBB059964 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.1 CCCCOCCO SBB059918 [0,0,0,0,0,0|0,0,0]=0 18 B7R0.1 CCCCSCCN SBB072659 [0,0,0,0,0,0|1,1,0]=2 19 B7R0.1 CCCCSCCO SBB013616 [0,0,0,0,0,0|0,1,0]=1 20 B7R0.1 CCCCSCCS SBB057435 [0,0,0,0,0,0|0,2,0]=2 21 B7R0.1 CCCNCCC#N SBB059761 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 CCCOCCCN SBB056585 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.1 CCCSSCCC SBB058501 [0,0,0,0,0,0|2,1,0]=3 24 B7R0.1 CCNCCCCO SBB052126 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.1 CCNCCNCC SBB072869 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.1 COCCOCCCl SBB059966 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.1 COCCOCCO SBB059920 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.1 COCCOCCS SBB061387 [0,0,0,0,0,0|1,1,0]=2 29 B7R0.1 COCCSCCO SBB061070 [0,0,0,0,0,0|1,1,0]=2 30 B7R0.1 C\C=C\CCCCC SBB059885 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.1 ClCCCCCCCl SBB060213 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.1 N#CCCCCCBr SBB058579 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.1 N#CCCSCCO SBB069588 [0,0,0,0,0,0|1,1,1]=3 34 B7R0.1 NCCCCCCN SBB059999 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.1 NCCCNCCN SBB052120 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.1 NCCCNCCO SBB059810 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.1 NCCSSCCN SBB003325 [0,0,0,0,0,0|3,1,0]=4 38 B7R0.1 OCCCCCCBr SBB054752 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.1 OCCCCCCCl SBB060188 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.1 OCCCCCCN SBB006584 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.1 OCCCCCCO SBB059915 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.1 OCCCCCCS SBB058615 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.6 BrCCOCCBr SBB054744 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.6 C#CCCCCC SBB067441 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.6 C#CCCCCO SBB015110 [1,0,0,0,0,0|0,0,2]=3 46 B6R0.6 C#CCOCCO SBB067658 [1,0,0,0,0,0|0,0,2]=3 47 B6R0.6 C=CCCCCBr SBB054740 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.6 C=CCOCCO SBB060194 [1,0,0,0,0,0|0,0,2]=3 50 B6R0.6 CCCCCC#N SBB060051 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.6 CCCCCCBr SBB059934 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.6 CCCCCCCl SBB059952 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.6 CCCCCCN SBB059984 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.6 CCCCCCO SBB059899 [1,0,0,0,0,0|0,0,0]=1 55 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.6 CCCCN=C=S SBB060985 [1,0,0,0,0,0|1,1,1]=4 57 B6R0.6 CCCCNC=O SBB060026 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|0,0,2]=3 59 B6R0.6 CCCCSC#N SBB056760 [1,0,0,0,0,0|1,1,1]=4 60 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|0,1,0]=2 61 B6R0.6 CCCNCCC SBB059762 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.6 CCCOCCO SBB061379 [1,0,0,0,0,0|0,0,0]=1 63 B6R0.6 CCCSCCC SBB061017 [1,0,0,0,0,0|1,1,0]=3 64 B6R0.6 CCCSCCO SBB058605 [1,0,0,0,0,0|0,1,0]=2 65 B6R0.6 CCNCCC#N SBB006528 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 CCOCCC#N SBB067181 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.6 CCOCCCN SBB028180 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.6 CC\C=C/CCO SBB007739 [1,0,0,0,0,0|0,0,2]=3 69 B6R0.6 ClCCOCCCl SBB059969 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.6 N#CCCCCCl SBB061418 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.6 NCCCCCN SBB079706 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.6 NCCNCCN SBB059776 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.6 NCCNCCO SBB028183 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.6 NCCOCCO SBB060906 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.6 NCCSCCO SBB056468 [1,0,0,0,0,0|1,1,0]=3 76 B6R0.6 OCCNCCO SBB059779 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.6 OCCOCCCl SBB060189 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.6 OCCSCCO SBB060117 [1,0,0,0,0,0|1,1,0]=3 79 B6R0.6 SCCOCCS SBB058846 [1,0,0,0,0,0|1,1,0]=3 80 B8R0.1 C#CCOC(C)OCC SBB008867 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.1 C=CCOC(=O)CCC SBB061324 [0,1,0,0,0,0|1,0,2]=4 82 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.1 CCCCC(=O)OCC SBB061113 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.1 CCCCC(O)CCC SBB059905 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.1 CCCCS(=O)CCO SBB019077 [0,1,0,0,0,0|0,1,0]=2 86 B8R0.1 CCCOC(=O)CCC SBB061105 [0,1,0,0,0,0|1,0,1]=3 87 B8R0.1 CCOC(=O)NCCO SBB079074 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.1 O=C(CCS)OCCO SBB008479 [0,1,0,0,0,0|1,0,1]=3 89 B8R0.4 C#CCCCCCCO SBB062745 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.4 C=CCCCCCCC SBB060474 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.4 CC#CCNCCCC SBB010247 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.4 CCCCC#CCCO SBB009106 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.4 CCCCCC#CCO SBB009105 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.4 CCCCCCCC#N SBB060053 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.4 CCCCCCCC=O SBB059871 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.4 CCCCCCCCBr SBB059937 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.4 CCCCCCCCCl SBB059955 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.4 CCCCCCCCN SBB059986 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.4 CCCCCCCCO SBB059902 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.4 CCCCCCCNC SBB059820 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.4 CCCCCCN=C=O SBB058614 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.4 CCCCCCN=C=S SBB061289 [0,1,0,0,0,0|1,1,1]=4 103 B8R0.4 CCCCCCNC=O SBB061175 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.4 CCCCCCOC=O SBB060302 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.4 CCCCCCSCC SBB061179 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.4 CCCCCNCCO SBB059826 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.4 CCCCNCCC#N SBB017631 [0,1,0,0,0,0|2,0,0]=3 108 B8R0.4 CCCCNCCCC SBB059755 [0,1,0,0,0,0|2,0,0]=3 109 B8R0.4 CCCCNCCOC SBB056732 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.4 CCCCOCCC#N SBB058573 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.4 CCCCOCCCC SBB060059 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.4 CCCCOCCCN SBB061718 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.4 CCCCSCCCC SBB060667 [0,1,0,0,0,0|1,1,0]=3 114 B8R0.4 CCOCCOCCCl SBB060378 [0,1,0,0,0,0|1,0,0]=2 115 B8R0.4 CCOCCOCCO SBB060178 [0,1,0,0,0,0|0,0,0]=1 116 B8R0.4 CCSCCOCCO SBB061065 [0,1,0,0,0,0|0,0,0]=1 117 B8R0.4 COCCNCCC#N SBB116774 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.4 COCCNCCOC SBB059845 [0,1,0,0,0,0|2,0,0]=3 119 B8R0.4 COCCOCCCN SBB061669 [0,1,0,0,0,0|1,0,0]=2 120 B8R0.4 C\C=C\CSCCCC SBB061594 [0,1,0,0,0,0|1,1,1]=4 121 B8R0.4 ClCCOCOCCCl SBB060138 [0,1,0,0,0,0|2,0,0]=3 122 B8R0.4 N#CCCCCCCBr SBB068343 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.4 N#CCCOCCC#N SBB007789 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.4 NCCCCCCCN SBB058724 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.4 NCCCNCCCN SBB059777 [0,1,0,0,0,0|3,0,0]=4 126 B8R0.4 OCCCCCCCBr SBB061558 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.6 C#CC(O)CCCCC SBB009107 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.6 CCCCCC(=O)NO SBB008093 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.6 CCCCCC(Br)CBr SBB060499 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.6 CCCCCC(O)CC SBB059904 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,1,0,0,0,0|1,0,1]=3 135 B8R0.6 CCCCOC(=O)CF SBB085867 [0,1,0,0,0,0|1,0,1]=3 136 B8R0.6 CCCCOC(=O)CS SBB061004 [0,1,0,0,0,0|0,1,1]=3 137 B8R0.6 OC(CCl)COCCCl SBB056672 [0,1,0,0,0,0|2,0,0]=3 138 B8R0.6 OCCCCC(O)CO SBB061014 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.6 OCCOCC(O)CCl SBB061082 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.7 C=C(C)CSCCCC SBB061593 [0,1,0,0,0,0|1,1,1]=4 141 B8R0.7 CC(C)CCCCCBr SBB054753 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.7 CC(C)CNCCCO SBB301242 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.7 CC(C)COCCC#N SBB061192 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,1,0,0,0,0|1,0,2]=4 145 B8R0.7 CCCCCCC(=O)O SBB053587 [0,1,0,0,0,0|1,0,1]=3 146 B8R0.7 CCCCCCC(C)=O SBB060387 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.7 CCCCCCC(C)Br SBB060198 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.7 CCCCCCC(C)N SBB028238 [0,1,0,0,0,0|2,0,0]=3 149 B8R0.7 CCCCCCC(C)O SBB059903 [0,1,0,0,0,0|1,0,0]=2 150 B8R0.7 CCCCCCN(C)C SBB059990 [0,1,0,0,0,0|3,0,0]=4 151 B8R0.7 CCCCNCC(C)C SBB059764 [0,1,0,0,0,0|2,0,0]=3 152 B8R0.7 CCCCNCC(C)O SBB059782 [0,1,0,0,0,0|1,0,0]=2 153 B8R0.7 CCCCSCC(=O)O SBB061205 [0,1,0,0,0,0|0,1,1]=3 154 B8R0.7 CN(C)CCCCCN SBB008565 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.7 CN(C)CCOCCO SBB056528 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.7 COCCNCC(F)F SBB046643 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.7 COCCOCC(=O)O SBB008497 [0,1,0,0,0,0|1,0,1]=3 158 B8R0.7 NC(=O)CCNCCO SBB116776 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.7 NCCCCCC(=O)O SBB015068 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.7 O=C(O)CCNCCO SBB079386 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.2 BrCC1CCCCO1 SBB054944 [0,0,0,1,0,0|1,0,0]=2 164 B8R1.2 BrCC1CCCNC1 SBB019055 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.2 BrCC1CCOCC1 SBB054945 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.2 C1(CCl)OCCCO1 SBB085954 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.2 CCC1CCCCC1 SBB061162 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.2 CCC1CCNCC1 SBB046379 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.2 CCN1CCCCC1 SBB061409 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.2 ClCC1CCCCO1 SBB040653 [0,0,0,1,0,0|1,0,0]=2 171 B8R1.2 ClCC1COCCO1 SBB046611 [0,0,0,1,0,0|1,0,0]=2 172 B8R1.2 N#CC1CCCCC1 SBB008404 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.2 N(C)C1CCCCC1 SBB004314 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.2 N1CCCCC1CC SBB004312 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.2 NCC1CCCCC1 SBB028193 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.2 NCC1CCCCN1 SBB069774 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.2 NCC1CCCCO1 SBB085471 [0,0,0,1,0,0|1,0,0]=2 178 B8R1.2 NCC1CCCOC1 SBB013821 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.2 NCC1CCNCC1 SBB004305 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.2 NCC1CCOCC1 SBB014254 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.2 NCC1COCCO1 SBB014104 [0,0,0,1,0,0|1,0,0]=2 182 B8R1.2 OCC1CC=CCC1 SBB054865 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.2 OCC1CCCCC1 SBB061328 [0,0,0,1,0,0|1,0,0]=2 184 B8R1.2 OCC1CCCCN1 SBB058544 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.2 OCC1CCCCO1 SBB008943 [0,0,0,1,0,0|0,0,0]=1 186 B8R1.2 OCC1CCCOC1 SBB014200 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.2 OCC1CCNCC1 SBB054833 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.2 ON=C1CCCCC1 SBB058381 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.5 BrC1CCCC[C@@H]1Br SBB060495 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,1,0,0|1,0,2]=4 191 B8R1.5 CC1CCCCC1N SBB061724 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.5 CC1CCCCN1C SBB060747 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.5 CC1CCCNC1C SBB027556 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.5 CC1CNCCC1O SBB300760 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.5 Cl[C@H]1CCCC[C@H]1Cl SBB007831 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.5 FC1CCCCC1Br SBB089745 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.5 N[C@@H]1CCCC[C@H]1N SBB007639 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.8 BrCCC1OCCO1 SBB070738 [0,0,0,1,0,0|1,0,0]=2 201 B8R1.8 C=CCC1CCCC1 SBB008872 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.8 CCCC1OCCO1 SBB060981 [0,0,0,1,0,0|0,0,0]=1 203 B8R1.8 CCCC1OCCS1 SBB056724 [0,0,0,1,0,0|0,1,0]=2 204 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.8 ClCCN1CCCC1 SBB070714 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.8 N#CCC1CCCO1 SBB018702 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.8 N#CCN1CCCC1 SBB047434 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.8 NCCC1CCCC1 SBB072011 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.8 NCCN1CCCC1 SBB004304 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.8 OCCC1CCCC1 SBB008459 [0,0,0,1,0,0|1,0,0]=2 211 B8R1.8 OCCN1CCCC1 SBB060257 [0,0,0,1,0,0|1,0,0]=2 212 B8R1.8 OCCN1CCOC1 SBB008304 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.11 CN1CCCC1CO SBB108833 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.12 NC[C@@H]1CC[C@H]1CN SBB052512 [0,0,0,1,0,0|3,0,0]=4 215 B8R1.22 CN1CCCNCC1 SBB056191 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,1,0,0|1,0,2]=4 218 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,0,1,0,0|1,0,0]=2 219 B8R1.36 C#CCOCC1CO1 SBB056460 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.36 CCCNCC1CC1 SBB042821 [0,0,0,1,0,0|2,0,0]=3 221 B8R1.49 C1=CCCCCCC1 SBB059890 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.49 C1CCCNCCC1 SBB059854 [0,0,0,1,0,0|2,0,0]=3 223 B5R0.2 BrCCCCBr SBB060204 [2,0,0,0,0,0|2,0,0]=4 224 B5R0.2 CC#CCCO SBB009118 [2,0,0,0,0,0|0,0,2]=4 225 B5R0.2 CCC#CCO SBB009120 [2,0,0,0,0,0|0,0,2]=4 226 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,0]=3 227 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,0]=3 228 B5R0.2 CCNNCC SBB069584 [2,0,0,0,0,0|2,0,0]=4 229 B5R0.2 CCOCCBr SBB008332 [2,0,0,0,0,0|1,0,0]=3 230 B5R0.2 CCOCCCl SBB061015 [2,0,0,0,0,0|1,0,0]=3 231 B5R0.2 CCOCCN SBB072161 [2,0,0,0,0,0|1,0,0]=3 232 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|1,1,0]=4 233 B5R0.2 CNCCCN SBB059823 [2,0,0,0,0,0|2,0,0]=4 234 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|1,0,0]=3 235 B5R0.2 FCCCCBr SBB087044 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.2 NCCCCN SBB059998 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.2 OCCCCCl SBB002444 [2,0,0,0,0,0|1,0,0]=3 238 B7R0.3 C=C(CC)CCCC SBB060475 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.3 C=CC(O)CCCC SBB008778 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.3 CC(CN)CCCN SBB058625 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.3 CCC(=O)OCCCl SBB060315 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.3 CCCCC(Cl)CCl SBB060394 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.3 CCCOC(=O)CCl SBB060962 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.3 CCCOC(=O)CS SBB061003 [1,1,0,0,0,0|0,1,1]=4 245 B7R0.3 CCN(C)CCCO SBB046555 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.3 CCNCC(O)CC SBB072921 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.3 CCOCC(O)CN SBB017905 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.3 OC[C@H](CCSC)N SBB006701 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.4 CC(C)CCCCBr SBB008833 [1,1,0,0,0,0|1,0,0]=3 250 B7R0.4 CC(C)OCCC#N SBB080430 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.4 CC(C)OCCCN SBB061717 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.4 CC(Cl)COCCCl SBB056511 [1,1,0,0,0,0|1,0,0]=3 253 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,1,0,0,0,0|0,0,2]=4 254 B7R0.4 CCCCCC(=O)O SBB053586 [1,1,0,0,0,0|0,0,1]=3 255 B7R0.4 CCCCCC(C)=O SBB061125 [1,1,0,0,0,0|0,0,2]=4 256 B7R0.4 CCCCCC(N)=O SBB061056 [1,1,0,0,0,0|0,0,2]=4 257 B7R0.4 CCCCOC(Cl)Cl SBB060510 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.4 CCCCOC(N)=O SBB060819 [1,1,0,0,0,0|0,0,2]=4 259 B7R0.4 CCCOCC(C)O SBB061007 [1,1,0,0,0,0|0,0,0]=2 260 B7R0.4 CCOCCC(=O)O SBB053607 [1,1,0,0,0,0|1,0,1]=4 261 B7R0.4 CN(C)CCCCN SBB008514 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.4 COCCNC(C)C SBB302570 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.4 COCCOC(C)=O SBB060999 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.4 NCCCCC(=O)O SBB061559 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.4 O=C(O)CCCCBr SBB061343 [1,1,0,0,0,0|1,0,1]=4 266 B7R0.4 O=C(O)CCCCCl SBB061215 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.7 CCCC(=O)CCC SBB060386 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.7 CCCC(N)CCC SBB018801 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.7 CCCC(O)CCC SBB061327 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.7 CCCN(C)CCC SBB061592 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.7 CCNC(C)CCO SBB046562 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.7 CCOC(=O)CCBr SBB070739 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.7 CCOC(=O)CCN SBB004038 [1,1,0,0,0,0|1,0,1]=4 274 B7R0.7 CCOC(=O)OCC SBB060086 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.7 CCOC(C)OCC SBB058503 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.7 CCOS(=O)OCC SBB060108 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.7 P(=O)(OCC)OCC SBB056825 [1,1,0,0,0,0|2,0,0]=4 279 B9R0.5 C=CCOCC(O)CNC SBB027842 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,2,0,0,0,0|2,0,0]=4 281 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.18 CCCCC(=O)CCCC SBB060073 [0,2,0,0,0,0|2,0,0]=4 283 B9R0.18 CCCCC(=O)OCCC SBB061228 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.18 CCCCN(C)CCCC SBB061560 [0,2,0,0,0,0|2,0,0]=4 285 B9R0.18 CCCCS(=O)CCCC SBB060669 [0,2,0,0,0,0|1,1,0]=4 286 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,2,0,0,0,0|2,0,0]=4 287 B9R0.40 CCCC(CC)NCCO SBB059831 [0,2,0,0,0,0|1,0,0]=3 288 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [0,2,0,0,0,0|1,0,1]=4 289 B9R0.48 CCOC(C)OCC(C)C SBB059867 [0,2,0,0,0,0|2,0,0]=4 290 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,2,0,0,0,0|1,0,1]=4 291 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,2,0,0,0,0|1,0,1]=4 292 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,2,0,0,0,0|1,0,0]=3 293 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.2 CCCCCCCC(C)O SBB008521 [0,2,0,0,0,0|1,0,0]=3 295 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,2,0,0,0,0|1,0,1]=4 296 B9R0.2 CCCCCCCN(C)C SBB061364 [0,2,0,0,0,0|2,0,0]=4 297 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,2,0,0,0,0|0,1,0]=3 298 B9R0.2 CCOCCOCC(C)O SBB061150 [0,2,0,0,0,0|0,0,0]=2 299 B9R0.2 COCCOCCN(C)C SBB056705 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.45 BrCCCCCCCCBr SBB060805 [0,2,0,0,0,0|2,0,0]=4 303 B9R0.45 C#CCCCCCCCC SBB008883 [0,2,0,0,0,0|2,0,0]=4 304 B9R0.45 C=CCCCCCCCC SBB058674 [0,2,0,0,0,0|2,0,0]=4 305 B9R0.45 CCCCCC#CCCO SBB009142 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.45 CCCCCCC#CCO SBB009144 [0,2,0,0,0,0|1,0,0]=3 307 B9R0.45 CCCCCCCCC=O SBB059872 [0,2,0,0,0,0|1,0,1]=4 308 B9R0.45 CCCCCCCCCBr SBB059939 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.45 CCCCCCCCCCl SBB059956 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.45 CCCCCCCCCN SBB059987 [0,2,0,0,0,0|2,0,0]=4 311 B9R0.45 CCCCCCCCCO SBB059907 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.45 CCCCCCCCOC SBB061156 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.45 CCCCCCCOC=O SBB060303 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.45 CCCCCCNCCN SBB058822 [0,2,0,0,0,0|2,0,0]=4 315 B9R0.45 CCCCCCNCCO SBB007879 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.45 CCCCCCOCCCl SBB060218 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.45 CCCCCCOCCO SBB060173 [0,2,0,0,0,0|0,0,0]=2 318 B9R0.45 CCCCCCSCCO SBB060444 [0,2,0,0,0,0|0,1,0]=3 319 B9R0.45 CCCCCNCCCC SBB059765 [0,2,0,0,0,0|2,0,0]=4 320 B9R0.45 CCCCCOCCC#N SBB061167 [0,2,0,0,0,0|1,0,0]=3 321 B9R0.45 CCCCNCCOCC SBB056553 [0,2,0,0,0,0|1,0,0]=3 322 B9R0.45 CCCCSSCCCC SBB060118 [0,2,0,0,0,0|1,1,0]=4 323 B9R0.45 CCCNCCOCCO SBB059816 [0,2,0,0,0,0|0,0,0]=2 324 B9R0.45 CCCOCCOCCCl SBB061386 [0,2,0,0,0,0|1,0,0]=3 325 B9R0.45 CCSCCCCSCC SBB061079 [0,2,0,0,0,0|2,0,0]=4 326 B9R0.45 ClCCCCCCCCCl SBB008751 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.45 ClCCOCCOCCCl SBB059970 [0,2,0,0,0,0|1,0,0]=3 328 B9R0.45 NCCCCCCCCN SBB058725 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.45 NCCNCCNCCN SBB058767 [0,2,0,0,0,0|2,0,0]=4 330 B9R0.45 NCCOCCOCCN SBB061504 [0,2,0,0,0,0|1,0,0]=3 331 B9R0.45 OCCCCCCCCO SBB060739 [0,2,0,0,0,0|1,0,0]=3 332 B9R0.45 OCCNCCOCCO SBB059840 [0,2,0,0,0,0|0,0,0]=2 333 B9R0.45 OCCOCCOCCCl SBB059927 [0,2,0,0,0,0|0,0,0]=2 334 B9R0.45 OCCSCCSCCO SBB059254 [0,2,0,0,0,0|0,1,0]=3 335 B9R0.45 SCCOCCOCCS SBB059255 [0,2,0,0,0,0|0,1,0]=3 336 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,2,0,0,0,0|2,0,0]=4 338 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.46 CCCCCCC(Cl)CCl SBB059980 [0,2,0,0,0,0|2,0,0]=4 340 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,2,0,0,0,0|1,0,1]=4 341 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,2,0,0,0,0|0,1,1]=4 343 B9R0.46 CCCCOCC(O)CC SBB061149 [0,2,0,0,0,0|0,0,0]=2 344 B9R0.46 CCCCOCC(O)CCl SBB059972 [0,2,0,0,0,0|0,0,0]=2 345 B9R0.46 CCCCOCC(O)CO SBB060185 [0,2,0,0,0,0|0,0,0]=2 346 B9R0.46 COCCOCC(O)CCl SBB061083 [0,2,0,0,0,0|1,0,0]=3 347 B9R0.1 CC(C)CCOC(=O)CCl SBB060961 [0,2,0,0,0,0|1,0,1]=4 348 B9R0.1 CC(C)COCC(O)CO SBB059926 [0,2,0,0,0,0|2,0,0]=4 349 B9R0.47 CCCCCC(Cl)C(C)Cl SBB060458 [0,2,0,0,0,0|2,0,0]=4 350 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,2,0,0,0,0|1,0,1]=4 351 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,2,0,0,0,0|0,0,1]=3 352 B9R0.47 CCCCOC(=O)C(F)Cl SBB088217 [0,2,0,0,0,0|1,0,1]=4 353 B9R0.47 CCCCOC(=O)C(F)F SBB086822 [0,2,0,0,0,0|1,0,1]=4 354 B9R0.50 CCC(CC)COCCCl SBB060526 [0,2,0,0,0,0|1,0,0]=3 355 B9R0.50 CCC(CC)COCCO SBB061090 [0,2,0,0,0,0|0,0,0]=2 356 B9R0.50 CCCCCC(CO)CO SBB059213 [0,2,0,0,0,0|1,0,0]=3 357 B9R0.50 NCCCCC(CO)CO SBB059701 [0,2,0,0,0,0|2,0,0]=4 358 B9R0.38 CCCCCCP(=O)(O)O SBB057477 [0,2,0,0,0,0|2,0,0]=4 359 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,2,0,0,0,0|1,0,1]=4 360 B7R1.1 BrCC1CCCC1 SBB054968 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.1 BrCC1CCCO1 SBB003909 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.1 BrCC1OCCO1 SBB070708 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.1 ClCC1CCCN1 SBB018633 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.1 ClCC1CCCO1 SBB008957 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.1 N#CC1CCCC1 SBB008886 [1,0,0,1,0,0|1,0,1]=4 366 B7R1.1 NCC1CCCO1 SBB028168 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.1 NNC1CCCC1 SBB301621 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|0,0,2]=4 369 B7R1.1 O=CC1CCOC1 SBB052278 [1,0,0,1,0,0|1,0,1]=4 370 B7R1.1 OCC1CCCC1 SBB008516 [1,0,0,1,0,0|0,0,0]=2 371 B7R1.1 OCC1CCCO1 SBB058567 [1,0,0,1,0,0|0,0,0]=2 372 B7R1.1 OCC1CCNC1 SBB046413 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.1 OCC1OCCO1 SBB059646 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.1 OC[C@H]1CCCN1 SBB027252 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.1 ON=C1CCCC1 SBB060393 [1,0,0,1,0,0|1,0,1]=4 376 B7R1.3 BrC1CCCCC1 SBB059944 [1,0,0,1,0,0|1,0,0]=3 377 B7R1.3 BrC1CCNCC1 SBB054613 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.3 CC1CC=CCC1 SBB060473 [1,0,0,1,0,0|1,0,1]=4 379 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|1,0,0]=3 380 B7R1.3 CC1SCCCS1 SBB056211 [1,0,0,1,0,0|1,1,0]=4 381 B7R1.3 CN1CCCCC1 SBB060237 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.3 CN1CCOCC1 SBB061013 [1,0,0,1,0,0|1,0,0]=3 383 B7R1.3 ClC1CCOCC1 SBB070678 [1,0,0,1,0,0|1,0,0]=3 384 B7R1.3 FC1CCCNC1 SBB070684 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.3 FC1CCNCC1 SBB070685 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.3 N1CCC(C)CC1 SBB027302 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.3 N1CCCC(C)C1 SBB027301 [1,0,0,1,0,0|2,0,0]=4 388 B7R1.3 N1CCCC(O)C1 SBB004193 [1,0,0,1,0,0|1,0,0]=3 389 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.3 N1CCN(C)CC1 SBB027304 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.3 N1CCNC(C)C1 SBB027299 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.3 NC1CCCCC1 SBB040492 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.3 NC1CCCNC1 SBB052004 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.3 NC1CCCOC1 SBB012974 [1,0,0,1,0,0|1,0,0]=3 395 B7R1.3 NC1CCNCC1 SBB028166 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.3 NC1CCOCC1 SBB014873 [1,0,0,1,0,0|1,0,0]=3 397 B7R1.3 NC1CCOCC1 SBB069906 [1,0,0,1,0,0|1,0,0]=3 398 B7R1.3 NN1CCCCC1 SBB067336 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.3 NN1CCOCC1 SBB004363 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.3 N[C@H]1CCCNC1 SBB017596 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|0,0,2]=4 403 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|0,0,2]=4 404 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.3 OC1CCCCC1 SBB060483 [1,0,0,1,0,0|0,0,0]=2 406 B7R1.3 OC1CCCCO1 SBB055947 [1,0,0,1,0,0|0,0,0]=2 407 B7R1.3 OC1CCCNC1 SBB027351 [1,0,0,1,0,0|1,0,0]=3 408 B7R1.3 OC1CCNCC1 SBB027346 [1,0,0,1,0,0|1,0,0]=3 409 B7R1.3 OC1CCOCC1 SBB055945 [1,0,0,1,0,0|1,0,0]=3 410 B7R1.4 BrC1CCCC1Br SBB060684 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.4 ClC1CCCC1Cl SBB060212 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [1,0,0,1,0,0|1,1,0]=4 413 B7R1.4 OC1CCCC1Cl SBB060196 [1,0,0,1,0,0|1,0,0]=3 414 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.6 N#CCC1CCC1 SBB071683 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.7 CCCCC1CO1 SBB017137 [1,0,0,1,0,0|0,0,0]=2 417 B7R1.24 C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.24 C1CCCCCC1 SBB060406 [1,0,0,1,0,0|1,0,0]=3 419 B7R1.24 C1CNCCNC1 SBB004367 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.24 C1CNCCOC1 SBB049498 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.24 N1CCCCCC1 SBB027297 [1,0,0,1,0,0|1,0,0]=3 422 B9R1.2 CN1CCCC(CO)C1 SBB108760 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.2 CN1CCOC(CN)C1 SBB002810 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,1,0,1,0,0|1,0,1]=4 425 B9R1.7 CCCC1OCC(C)O1 SBB060973 [0,1,0,1,0,0|0,0,0]=2 426 B9R1.8 BrCCC1CCCCN1 SBB018737 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.8 BrCCC1OCCCO1 SBB054748 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.8 BrCCN1CCNCC1 SBB071600 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.8 CCCC1CCCCN1 SBB017578 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.8 CCCC1CCCCN1 SBB050937 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.8 CCCC1OCCCO1 SBB060994 [0,1,0,1,0,0|0,0,0]=2 432 B9R1.8 CCCN1CCCCC1 SBB061042 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.8 CCCN1CCNCC1 SBB056132 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.8 CCCN1CCOCC1 SBB061033 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.8 CNCC1COCCO1 SBB002649 [0,1,0,1,0,0|0,0,0]=2 436 B9R1.8 COCC1CCCNC1 SBB050890 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.8 ClCCN1CCCCC1 SBB056102 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.8 ClCCN1CCOCC1 SBB004079 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.8 N#CCC1CCCCO1 SBB071717 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.8 N#CCC1CCCOC1 SBB027169 [0,1,0,1,0,0|1,0,1]=4 441 B9R1.8 N1CCN(CCC)CC1 SBB005871 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.8 NCCC1=CCCCC1 SBB058805 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.8 NCCC1CCCCC1 SBB051424 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.8 NCCC1CCCCO1 SBB072556 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.8 NCCC1CCCOC1 SBB050548 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.8 NCCN1CCCCC1 SBB058602 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.8 NCCN1CCNCC1 SBB004229 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.8 NCCN1CCOCC1 SBB028239 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.8 OCCC1CCCCN1 SBB027305 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.8 OCCC1CCNCC1 SBB027320 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.8 OCCN1CCCCC1 SBB040888 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.8 OCCN1CCNCC1 SBB004225 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.8 OCCN1CCOCC1 SBB004221 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.12 CCCCN1CCCC1 SBB061041 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.12 CCCNC1CCCC1 SBB080044 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.12 CCNCC1CCCO1 SBB080022 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.12 N#CCCN1CCCC1 SBB047435 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.12 NCCCC1CCOC1 SBB012984 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.12 NCCCN1CCCC1 SBB005799 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.15 CCC1CCCOC1=O SBB061552 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.15 CN1CCCCC1CBr SBB018986 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.15 CN1CCCCC1CCl SBB054961 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.15 CN1CCCCC1CN SBB085728 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.15 CN1CCCCC1CO SBB062716 [0,1,0,1,0,0|1,0,0]=3 465 B9R1.15 CN[C@H]1CCCC[C@@H]1O SBB302548 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.15 CN[C@H]1CCCC[C@H]1O SBB302547 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.15 O=C1CCCCC1CO SBB054864 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.33 CN1CCCC1CCO SBB056164 [0,1,0,1,0,0|1,0,0]=3 469 B9R1.50 NC1CCCCCCC1 SBB004245 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.50 OC1CCCCCCC1 SBB058905 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.134 CC1(CC#N)OCCO1 SBB002703 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.134 CNCC1(C)OCCO1 SBB002814 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.134 NCCC1(O)CCCC1 SBB050900 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.14 CCN1CCCC1CN SBB048031 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.14 CCN1CCCC1CO SBB108758 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.83 CCCCCCC1CO1 SBB017138 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.83 CCCCOCC1CO1 SBB060096 [0,1,0,1,0,0|0,0,0]=2 479 B9R1.89 CCN1CCCCCC1 SBB056278 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.89 CCN1CCCNCC1 SBB056277 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.89 N#CC1CCCCCC1 SBB008917 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.89 O=CC1CCCCCC1 SBB059644 [0,1,0,1,0,0|1,0,1]=4 483 B9R1.1 CCC1CCC(C)NC1 SBB085696 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.1 CCC1CCC(N)CC1 SBB085697 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.1 CCC1CCC(O)CC1 SBB058793 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.1 CN1CCC(CO)CC1 SBB014682 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.3 CC1CCCC(N)C1C SBB061727 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.11 CC(CN)N1CCCC1 SBB027658 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.11 CC(CO)N1CCCC1 SBB046591 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.118 OC1(CN)CCCCC1 SBB005863 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.118 OCC1(F)CCCCC1 SBB054863 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.6 CC(C)C1CCCCC1 SBB061161 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.6 CN(C)C1CCCCO1 SBB072697 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,1,0,1,0,0|0,0,1]=3 498 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [0,1,0,1,0,0|1,0,1]=4 499 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.6 OB(O)C1CCCCC1 SBB052596 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.13 CC(N)CN1CCCC1 SBB014676 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.13 CC(O)CN1CCCC1 SBB056722 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,1,0,1,0,0|1,0,1]=4 504 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,1,0,1,0,0|1,0,1]=4 505 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,1,0,1,0,0|1,0,1]=4 506 B9R1.85 CC(C)COCC1CO1 SBB060097 [0,1,0,1,0,0|2,0,0]=4 507 B9R2.24 C12CCC(CC1)C2Br SBB054711 [0,0,0,2,0,0|2,0,0]=4 508 B9R2.68 C1CC2CNCC1O2 SBB056375 [0,0,0,2,0,0|1,0,0]=3 509 B9R2.39 N[C@H]1C[C@@H]2CCC1C2 SBB017219 [0,0,0,2,0,0|2,0,0]=4