0 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.46 CCCCCCC(=O)NN SBB021011 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.46 CCCCCCC(Cl)CCl SBB059980 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.46 CCCCOCC(O)CC SBB061149 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.46 CCCCOCC(O)CCl SBB059972 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.46 CCCCOCC(O)CO SBB060185 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.46 COC(=O)CCCCCN SBB003739 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.46 COCCCNC(=O)CCl SBB017961 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.46 NNC(=O)CCCCCO SBB072600 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.4 C=CCCCCCCC SBB060474 [1,0,0,0,0,0|0,0,3]=4 16 B8R0.4 CC#CCNCCCC SBB010247 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.4 CCCCCC#CCO SBB009105 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.4 CCCCCCCC#N SBB060053 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.4 CCCCCCCC=O SBB059871 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.4 CCCCCCCCBr SBB059937 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.4 CCCCCCCCCl SBB059955 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.4 CCCCCCCCN SBB059986 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.4 CCCCCCCCO SBB059902 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.4 CCCCCCCNC SBB059820 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.4 CCCCCCN=C=O SBB058614 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.4 CCCCCCN=C=S SBB061289 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.4 CCCCCCNC=O SBB061175 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.4 CCCCCCOC=O SBB060302 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.4 CCCCCCSCC SBB061179 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.4 CCCCCNCCO SBB059826 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.4 CCCCNCCCC SBB059755 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.4 CCCCNCCOC SBB056732 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.4 CCCCOCCCC SBB060059 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.4 CCCCOCCCN SBB061718 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.4 CCCCSCCCC SBB060667 [1,0,0,0,0,0|1,0,1]=3 37 B8R0.4 CCOCCOCCCl SBB060378 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.4 CCOCCOCCO SBB060178 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.4 CCSCCOCCO SBB061065 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.4 C\C=C\CSCCCC SBB061594 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.4 NCCCCCCCN SBB058724 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.4 OCCCCCCCBr SBB061558 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.6 CCCC#CC(=O)OC SBB069575 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.6 CCCCCC(=O)CC SBB060388 [1,0,0,0,0,0|0,0,0]=1 45 B8R0.6 CCCCCC(=O)NN SBB021010 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.6 CCCCCC(=O)NO SBB008093 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.6 CCCCCC(=O)OC SBB060591 [1,0,0,0,0,0|1,0,0]=2 48 B8R0.6 CCCCCC(Br)CBr SBB060499 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.6 CCCCCC(O)CC SBB059904 [1,0,0,0,0,0|0,0,2]=3 50 B8R0.6 CCCCNC(=O)CCl SBB010319 [1,0,0,0,0,0|2,0,0]=3 51 B8R0.6 CCCCOC(=O)CC SBB060578 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.6 CCCCOC(=O)CCl SBB060760 [1,0,0,0,0,0|2,0,0]=3 53 B8R0.6 CCCCOC(=O)CF SBB085867 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.6 CCCCOC(=O)CS SBB061004 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.6 CCNCCC(=O)NN SBB046550 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.6 CCOCCC(=O)NN SBB079954 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.6 COC(=O)CCCCBr SBB070759 [1,0,0,0,0,0|2,0,0]=3 58 B8R0.6 COCCNC(=O)CCl SBB038704 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.7 C#CCCCCC(=O)O SBB008797 [1,0,0,0,0,0|1,0,2]=4 60 B8R0.7 C=C(C)CSCCCC SBB061593 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.7 CC(=O)CCCOC=O SBB001557 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.7 CC(=O)OCCCCCl SBB059334 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.7 CC(C)CCCCCBr SBB054753 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.7 CCCCCCC(=O)Cl SBB060012 [1,0,0,0,0,0|1,0,0]=2 65 B8R0.7 CCCCCCC(=O)O SBB053587 [1,0,0,0,0,0|1,0,0]=2 66 B8R0.7 CCCCCCC(C)=O SBB060387 [1,0,0,0,0,0|0,0,0]=1 67 B8R0.7 CCCCCCC(C)Br SBB060198 [1,0,0,0,0,0|1,0,1]=3 68 B8R0.7 CCCCCCC(C)N SBB028238 [1,0,0,0,0,0|1,0,1]=3 69 B8R0.7 CCCCCCC(C)O SBB059903 [1,0,0,0,0,0|0,0,2]=3 70 B8R0.7 CCCCCCN(C)C SBB059990 [1,0,0,0,0,0|2,0,0]=3 71 B8R0.7 CCCCCOC(C)=O SBB060027 [1,0,0,0,0,0|1,0,0]=2 72 B8R0.7 CCCCNCC(C)C SBB059764 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.7 CCCCNCC(C)O SBB059782 [1,0,0,0,0,0|1,0,2]=4 74 B8R0.7 CCCCSCC(=O)O SBB061205 [1,0,0,0,0,0|2,0,0]=3 75 B8R0.7 CCCNCCC(N)=O SBB116773 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.7 CCOCCOC(C)=O SBB061000 [1,0,0,0,0,0|2,0,0]=3 77 B8R0.7 CN(C)CCCCCN SBB008565 [1,0,0,0,0,0|3,0,0]=4 78 B8R0.7 COCCOCC(=O)O SBB008497 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.7 NC(=O)CCNCCO SBB116776 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.7 NCCCCCC(=O)O SBB015068 [1,0,0,0,0,0|2,0,0]=3 81 B8R0.7 O=C(O)CCCCCBr SBB065783 [1,0,0,0,0,0|2,0,0]=3 82 B8R0.7 O=C(O)CCNCCO SBB079386 [1,0,0,0,0,0|3,0,0]=4 83 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [1,0,0,0,0,0|2,0,1]=4 84 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,1,0,0,0,0|0,0,2]=3 85 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,1,0,0,0,0|0,0,0]=1 86 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,1,0,0,0,0|1,0,0]=2 87 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,1,0,0,0,0|1,0,0]=2 88 B10R0.55 COC(=O)CCCCC(=O)O SBB065981 [0,1,0,0,0,0|2,0,1]=4 89 B10R0.59 COC(=O)CCCC(=O)OC SBB058680 [0,1,0,0,0,0|2,0,1]=4 90 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [0,1,0,0,0,0|1,0,1]=3 91 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,1,0,0,0,0|2,0,0]=3 92 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,1,0,0,0,0|1,0,0]=2 93 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,1,0,0,0,0|1,0,0]=2 94 B10R0.74 CCCCCCNC(=S)NN SBB017696 [0,1,0,0,0,0|2,1,0]=4 95 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,1,0,0,0,0|1,0,0]=2 96 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,1,0,0,0,0|1,0,0]=2 97 B10R0.74 CCOCCCNC(=O)CCl SBB010645 [0,1,0,0,0,0|2,0,0]=3 98 B10R0.74 O=C(CCl)OCCOCCCl SBB061274 [0,1,0,0,0,0|3,0,0]=4 99 B10R0.75 CCCCCCC(=O)N(C)C SBB008017 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.1 CCCC1CCC(=O)CC1 SBB008421 [0,0,0,1,0,0|0,0,0]=1 101 B10R1.1 CCCC1CCC(O)CC1 SBB055278 [0,0,0,1,0,0|0,0,2]=3 102 B10R1.1 CCCN1CCC(N)CC1 SBB021243 [0,0,0,1,0,0|2,0,1]=4 103 B10R1.1 CCNC1CCN(C)CC1 SBB301946 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.1 CN1CCC(CCN)CC1 SBB025006 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.15 CCC(C)C1CCCCC1 SBB061319 [0,0,0,1,0,0|1,0,1]=3 106 B10R1.15 CNC(=O)C1CCNCC1 SBB056097 [0,0,0,1,0,0|2,0,0]=3 107 B10R1.15 CNC(=S)N1CCCCC1 SBB003988 [0,0,0,1,0,0|2,1,0]=4 108 B10R1.15 COC(=O)C1=CCCCC1 SBB008621 [0,0,0,1,0,0|1,0,2]=4 109 B10R1.15 COC(=O)C1CC=CCC1 SBB007742 [0,0,0,1,0,0|1,0,2]=4 110 B10R1.15 COC(=O)C1CCCCC1 SBB008423 [0,0,0,1,0,0|1,0,0]=2 111 B10R1.15 COC(=O)C1CCCCN1 SBB079224 [0,0,0,1,0,0|2,0,0]=3 112 B10R1.15 COC(=O)C1CCNCC1 SBB054004 [0,0,0,1,0,0|2,0,0]=3 113 B10R1.15 COC(=O)C1CCNCC1 SBB079418 [0,0,0,1,0,0|2,0,0]=3 114 B10R1.15 NCC(=O)N1CCOCC1 SBB086345 [0,0,0,1,0,0|3,0,0]=4 115 B10R1.15 NNC(=O)C1CCCCC1 SBB000089 [0,0,0,1,0,0|2,0,0]=3 116 B10R1.15 N\C(=N\O)C1CCCCC1 SBB079156 [0,0,0,1,0,0|3,0,0]=4 117 B10R1.15 O=C(CBr)N1CCCCC1 SBB051006 [0,0,0,1,0,0|2,0,0]=3 118 B10R1.15 O=C(CBr)N1CCOCC1 SBB051005 [0,0,0,1,0,0|3,0,0]=4 119 B10R1.15 O=C(CCl)N1CCCCC1 SBB072651 [0,0,0,1,0,0|2,0,0]=3 120 B10R1.15 O=C(CCl)N1CCOCC1 SBB005580 [0,0,0,1,0,0|3,0,0]=4 121 B10R1.27 CCC(O)CN1CCCC1 SBB061152 [0,0,0,1,0,0|1,0,2]=4 122 B10R1.27 COC(=O)CC1CCCO1 SBB014349 [0,0,0,1,0,0|2,0,0]=3 123 B10R1.27 O=C(CBr)NC1CCCC1 SBB080105 [0,0,0,1,0,0|2,0,0]=3 124 B10R1.27 O=C(CCl)NC1CCCC1 SBB042522 [0,0,0,1,0,0|2,0,0]=3 125 B10R1.27 O=C(CCl)OC1CCCC1 SBB060738 [0,0,0,1,0,0|2,0,0]=3 126 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,0,1,0,0|1,0,0]=2 127 B10R1.161 COC1=CCCCCCC1 SBB008525 [0,0,0,1,0,0|2,0,0]=3 128 B10R1.161 OCC1CCCCCCC1 SBB051438 [0,0,0,1,0,0|2,0,1]=4 129 B10R1.172 CCN1CCCC(CN)C1 SBB012843 [0,0,0,1,0,0|3,0,0]=4 130 B7R0.1 BrCCCCCCBr SBB060205 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.1 C=CCCCCCC SBB059884 [2,0,0,0,0,0|0,0,1]=3 132 B7R0.1 C=CCSCCCC SBB058522 [2,0,0,0,0,0|1,0,1]=4 133 B7R0.1 CCCCCCC#N SBB060052 [2,0,0,0,0,0|1,0,1]=4 134 B7R0.1 CCCCCCCBr SBB059936 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.1 CCCCCCCCl SBB059954 [2,0,0,0,0,0|1,0,0]=3 136 B7R0.1 CCCCCCCN SBB059985 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.1 CCCCCCOC SBB061157 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.1 CCCCCOC=O SBB060301 [2,0,0,0,0,0|1,0,0]=3 139 B7R0.1 CCCCNCCC SBB059822 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.1 CCCCOCCBr SBB007731 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.1 CCCCOCCCl SBB059964 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.1 CCCCOCCO SBB059918 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.1 CCCCSCCN SBB072659 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.1 CCCCSCCO SBB013616 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.1 CCCCSCCS SBB057435 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.1 CCCOCCCN SBB056585 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.1 CCCSSCCC SBB058501 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.1 CCNCCCCO SBB052126 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.1 CCNCCNCC SBB072869 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.1 C\C=C\CCCCC SBB059885 [2,0,0,0,0,0|0,0,1]=3 151 B7R0.1 ClCCCCCCCl SBB060213 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.1 NCCCCCCN SBB059999 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.1 OCCCCCCBr SBB054752 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.1 OCCCCCCCl SBB060188 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.1 OCCCCCCN SBB006584 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.1 OCCCCCCO SBB059915 [2,0,0,0,0,0|2,0,0]=4 157 B7R0.1 OCCCCCCS SBB058615 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.3 C=C(CC)CCCC SBB060475 [2,0,0,0,0,0|1,0,0]=3 159 B7R0.3 CCC(=O)OCCCl SBB060315 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.3 CCCCC(=O)NN SBB028196 [2,0,0,0,0,0|2,0,0]=4 161 B7R0.3 CCCNC(=O)CCl SBB016586 [2,0,0,0,0,0|2,0,0]=4 162 B7R0.3 CCCOC(=O)CCl SBB060962 [2,0,0,0,0,0|2,0,0]=4 163 B7R0.3 CCCOC(=O)CS SBB061003 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.3 CNCCC(=O)NC SBB046578 [2,0,0,0,0,0|2,0,0]=4 165 B7R0.3 CNCCC(=O)NC SBB080433 [2,0,0,0,0,0|2,0,0]=4 166 B7R0.4 CCCCCC(=O)Cl SBB060011 [2,0,0,0,0,0|1,0,0]=3 167 B7R0.4 CCCCCC(=O)O SBB053586 [2,0,0,0,0,0|1,0,0]=3 168 B7R0.4 CCCCCC(C)=O SBB061125 [2,0,0,0,0,0|0,0,0]=2 169 B7R0.4 CCCCCC(N)=O SBB061056 [2,0,0,0,0,0|1,0,0]=3 170 B7R0.4 CCCCOC(N)=O SBB060819 [2,0,0,0,0,0|2,0,0]=4 171 B7R0.4 CCOCCC(=O)O SBB053607 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.4 COCCOC(C)=O SBB060999 [2,0,0,0,0,0|2,0,0]=4 173 B7R0.4 NCCCCC(=O)O SBB061559 [2,0,0,0,0,0|2,0,0]=4 174 B7R0.4 O=C(O)CCCCBr SBB061343 [2,0,0,0,0,0|2,0,0]=4 175 B7R0.4 O=C(O)CCCCCl SBB061215 [2,0,0,0,0,0|2,0,0]=4 176 B9R0.2 CCCCCCCC(C)=O SBB061540 [1,1,0,0,0,0|0,0,2]=4 177 B9R0.2 CCCCCCCC(C)O SBB008521 [1,1,0,0,0,0|0,0,1]=3 178 B9R0.2 CCCCCCCN(C)C SBB061364 [1,1,0,0,0,0|1,0,1]=4 179 B9R0.2 CCCCCCOC(C)=O SBB060306 [1,1,0,0,0,0|1,0,1]=4 180 B9R0.2 CCOCCOCC(C)O SBB061150 [1,1,0,0,0,0|2,0,0]=4 181 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,1,0,0,0,0|0,0,2]=4 182 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,1,0,0,0,0|1,0,1]=4 183 B9R0.18 CCCCC(=O)CCCC SBB060073 [1,1,0,0,0,0|0,0,2]=4 184 B9R0.18 CCCCN(C)CCCC SBB061560 [1,1,0,0,0,0|1,0,1]=4 185 B9R0.18 CCCCS(=O)CCCC SBB060669 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.45 BrCCCCCCCCBr SBB060805 [1,1,0,0,0,0|1,0,1]=4 187 B9R0.45 C#CCCCCCCCC SBB008883 [1,1,0,0,0,0|0,0,2]=4 188 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [1,1,0,0,0,0|0,0,2]=4 189 B9R0.45 C=CCCCCCCCC SBB058674 [1,1,0,0,0,0|0,0,2]=4 190 B9R0.45 CCCCCC#CCCO SBB009142 [1,1,0,0,0,0|0,0,2]=4 191 B9R0.45 CCCCCCC#CCO SBB009144 [1,1,0,0,0,0|0,0,2]=4 192 B9R0.45 CCCCCCCCC=O SBB059872 [1,1,0,0,0,0|0,0,2]=4 193 B9R0.45 CCCCCCCCCBr SBB059939 [1,1,0,0,0,0|0,0,1]=3 194 B9R0.45 CCCCCCCCCCl SBB059956 [1,1,0,0,0,0|0,0,1]=3 195 B9R0.45 CCCCCCCCCN SBB059987 [1,1,0,0,0,0|0,0,1]=3 196 B9R0.45 CCCCCCCCCO SBB059907 [1,1,0,0,0,0|0,0,1]=3 197 B9R0.45 CCCCCCCCOC SBB061156 [1,1,0,0,0,0|0,0,1]=3 198 B9R0.45 CCCCCCNCCN SBB058822 [1,1,0,0,0,0|1,0,0]=3 199 B9R0.45 CCCCCCNCCO SBB007879 [1,1,0,0,0,0|1,0,0]=3 200 B9R0.45 CCCCCCOCCCl SBB060218 [1,1,0,0,0,0|1,0,0]=3 201 B9R0.45 CCCCCCOCCO SBB060173 [1,1,0,0,0,0|1,0,0]=3 202 B9R0.45 CCCCCCSCCO SBB060444 [1,1,0,0,0,0|1,0,0]=3 203 B9R0.45 CCCCCNCCCC SBB059765 [1,1,0,0,0,0|0,0,1]=3 204 B9R0.45 CCCCNCCOCC SBB056553 [1,1,0,0,0,0|1,0,0]=3 205 B9R0.45 CCCCSSCCCC SBB060118 [1,1,0,0,0,0|1,0,1]=4 206 B9R0.45 CCCNCCOCCO SBB059816 [1,1,0,0,0,0|2,0,0]=4 207 B9R0.45 CCCOCCOCCCl SBB061386 [1,1,0,0,0,0|2,0,0]=4 208 B9R0.45 CCSCCCCSCC SBB061079 [1,1,0,0,0,0|1,0,0]=3 209 B9R0.45 ClCCCCCCCCCl SBB008751 [1,1,0,0,0,0|1,0,1]=4 210 B9R0.45 NCCCCCCCCN SBB058725 [1,1,0,0,0,0|1,0,1]=4 211 B9R0.45 OCCCCCCCCO SBB060739 [1,1,0,0,0,0|1,0,1]=4 212 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [1,1,0,0,0,0|0,0,1]=3 213 B9R0.1 CC(C)CCOC(=O)CCl SBB060961 [1,1,0,0,0,0|2,0,0]=4 214 B9R0.8 COC(=O)C(N)CCCN SBB072642 [1,1,0,0,0,0|2,0,0]=4 215 B9R0.8 COC(=O)C(N)CCSC SBB003548 [1,1,0,0,0,0|2,0,0]=4 216 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [1,1,0,0,0,0|2,0,0]=4 217 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [1,1,0,0,0,0|1,0,0]=3 218 B9R0.47 CCCCCC(Cl)C(C)Cl SBB060458 [1,1,0,0,0,0|1,0,1]=4 219 B9R0.47 CCCCNC(=O)N(C)C SBB008135 [1,1,0,0,0,0|2,0,0]=4 220 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [1,1,0,0,0,0|1,0,0]=3 221 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [1,1,0,0,0,0|1,0,0]=3 222 B9R0.47 CCCCOC(=O)C(F)Cl SBB088217 [1,1,0,0,0,0|2,0,0]=4 223 B9R0.47 CCCCOC(=O)C(F)F SBB086822 [1,1,0,0,0,0|2,0,0]=4 224 B9R0.38 CCCCCCP(=O)(O)O SBB057477 [1,1,0,0,0,0|2,0,0]=4 225 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [1,1,0,0,0,0|0,0,1]=3 226 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [1,1,0,0,0,0|1,0,1]=4 227 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [1,1,0,0,0,0|1,0,1]=4 228 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [1,1,0,0,0,0|1,0,0]=3 229 B11R0.4 CCCC(=O)OCCOCCCl SBB061295 [0,2,0,0,0,0|2,0,0]=4 230 B11R0.4 CCCCCC#CC(=O)OCC SBB008812 [0,2,0,0,0,0|0,0,1]=3 231 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [0,2,0,0,0,0|0,0,0]=2 232 B11R0.4 CCCCCCOC(=O)CCC SBB061110 [0,2,0,0,0,0|0,0,0]=2 233 B11R0.4 CCCCNCCC(=O)OCC SBB056920 [0,2,0,0,0,0|0,0,0]=2 234 B11R0.4 CCCCSCCC(=O)OCC SBB001706 [0,2,0,0,0,0|0,0,0]=2 235 B11R0.62 CCOC(=O)CCC(=O)OCC SBB040923 [0,2,0,0,0,0|1,0,1]=4 236 B11R0.81 CCCCCCC(C)OCCCl SBB061537 [0,2,0,0,0,0|1,0,1]=4 237 B11R0.81 CCCCCCC(C)OCCO SBB061589 [0,2,0,0,0,0|1,0,1]=4 238 B11R0.155 CCOC(=O)C(N)CCCCN SBB058160 [0,2,0,0,0,0|1,0,0]=3 239 B11R0.176 CCCC(=O)OCCCC(C)=O SBB017104 [0,2,0,0,0,0|1,0,1]=4 240 B11R0.176 CCOC(=O)CCCCC(=O)O SBB065980 [0,2,0,0,0,0|1,0,1]=4 241 B11R0.106 COC(=O)CCCCC(=O)OC SBB041006 [0,2,0,0,0,0|1,0,1]=4 242 B11R0.40 CCCCCCC#CC(=O)OC SBB088197 [0,2,0,0,0,0|1,0,0]=3 243 B11R0.40 CCCCCCCCC(=O)NN SBB030320 [0,2,0,0,0,0|2,0,0]=4 244 B11R0.40 CCCCCCCCC(=O)OC SBB060593 [0,2,0,0,0,0|1,0,0]=3 245 B11R0.40 CCCCCCCOC(=O)CC SBB060313 [0,2,0,0,0,0|0,0,0]=2 246 B11R0.40 CCCCCCCOC(=O)CCl SBB061233 [0,2,0,0,0,0|1,0,0]=3 247 B11R0.40 CCCCCCCOC(=O)CS SBB057443 [0,2,0,0,0,0|1,0,0]=3 248 B11R0.42 CCCCCCCC(=O)N(C)C SBB007989 [0,2,0,0,0,0|1,0,0]=3 249 B9R1.8 CCCC1CCCCN1 SBB017578 [1,0,0,1,0,0|1,0,1]=4 250 B9R1.8 CCCC1CCCCN1 SBB050937 [1,0,0,1,0,0|1,0,1]=4 251 B9R1.8 CCCN1CCCCC1 SBB061042 [1,0,0,1,0,0|1,0,1]=4 252 B9R1.8 CCCN1CCNCC1 SBB056132 [1,0,0,1,0,0|2,0,0]=4 253 B9R1.8 CCCN1CCOCC1 SBB061033 [1,0,0,1,0,0|2,0,0]=4 254 B9R1.8 CCOC1CCNCC1 SBB027269 [1,0,0,1,0,0|2,0,0]=4 255 B9R1.8 CCOC1CCNCC1 SBB080379 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.8 N1CCN(CCC)CC1 SBB005871 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.8 NCCC1CCCCC1 SBB051424 [1,0,0,1,0,0|1,0,1]=4 258 B9R1.8 OCCC1CCNCC1 SBB027320 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.12 CCCCN1CCCC1 SBB061041 [1,0,0,1,0,0|1,0,1]=4 260 B9R1.12 CCCNC1CCCC1 SBB080044 [1,0,0,1,0,0|1,0,1]=4 261 B9R1.12 CCNCC1CCCO1 SBB080022 [1,0,0,1,0,0|2,0,0]=4 262 B9R1.12 NCCCC1CCOC1 SBB012984 [1,0,0,1,0,0|2,0,0]=4 263 B9R1.14 CCN1CCCC1CN SBB048031 [1,0,0,1,0,0|2,0,0]=4 264 B9R1.14 CCN1CCCC1CO SBB108758 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.50 NC1CCCCCCC1 SBB004245 [1,0,0,1,0,0|1,0,1]=4 266 B9R1.50 OC1CCCCCCC1 SBB058905 [1,0,0,1,0,0|1,0,1]=4 267 B9R1.83 CCCCCCC1CO1 SBB017138 [1,0,0,1,0,0|1,0,1]=4 268 B9R1.89 CCN1CCCCCC1 SBB056278 [1,0,0,1,0,0|1,0,0]=3 269 B9R1.89 CCN1CCCNCC1 SBB056277 [1,0,0,1,0,0|2,0,0]=4 270 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [1,0,0,1,0,0|0,0,0]=2 271 B9R1.1 CCC1CCC(N)CC1 SBB085697 [1,0,0,1,0,0|1,0,1]=4 272 B9R1.1 CCC1CCC(O)CC1 SBB058793 [1,0,0,1,0,0|0,0,2]=4 273 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [1,0,0,1,0,0|1,0,0]=3 274 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [1,0,0,1,0,0|1,0,0]=3 275 B9R1.3 CC1CCCC(N)C1C SBB061727 [1,0,0,1,0,0|1,0,1]=4 276 B9R1.11 COC(=O)C1CCCC1 SBB071502 [1,0,0,1,0,0|1,0,0]=3 277 B9R1.11 COC(=O)C1CCCN1 SBB046302 [1,0,0,1,0,0|2,0,0]=4 278 B9R1.11 COC(=O)C1CCCN1 SBB054027 [1,0,0,1,0,0|2,0,0]=4 279 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [1,0,0,1,0,0|2,0,0]=4 280 B9R1.11 NNC(=O)C1CCCC1 SBB046301 [1,0,0,1,0,0|2,0,0]=4 281 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [1,0,0,1,0,0|2,0,0]=4 282 B9R1.80 O=C(CCl)NCC1CC1 SBB085411 [1,0,0,1,0,0|2,0,0]=4 283 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [1,0,0,1,0,0|1,0,0]=3 284 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [1,0,0,1,0,0|2,0,0]=4 285 B9R1.6 CC(C)C1CCCCC1 SBB061161 [1,0,0,1,0,0|1,0,1]=4 286 B9R1.6 CN(C)C1CCCCC1 SBB060234 [1,0,0,1,0,0|2,0,0]=4 287 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [1,0,0,1,0,0|1,0,1]=4 288 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [1,0,0,1,0,0|1,0,0]=3 289 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [1,0,0,1,0,0|2,0,0]=4 290 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [1,0,0,1,0,0|2,0,0]=4 291 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [1,0,0,1,0,0|2,0,0]=4 293 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [1,0,0,1,0,0|2,0,0]=4 294 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [1,0,0,1,0,0|1,0,0]=3 295 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [1,0,0,1,0,0|2,0,0]=4 296 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [1,0,0,1,0,0|1,0,0]=3 297 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [1,0,0,1,0,0|2,0,0]=4 298 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [1,0,0,1,0,0|2,0,0]=4 299 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [1,0,0,1,0,0|2,0,0]=4 300 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [1,0,0,1,0,0|2,0,0]=4 302 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [1,0,0,1,0,0|2,0,0]=4 303 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [1,0,0,1,0,0|2,0,0]=4 304 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [1,0,0,1,0,0|2,0,0]=4 305 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [1,0,0,1,0,0|0,0,0]=2 306 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [1,0,0,1,0,0|1,0,0]=3 307 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [1,0,0,1,0,0|1,0,0]=3 308 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [1,0,0,1,0,0|2,0,0]=4 309 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [1,0,0,1,0,0|1,0,0]=3 310 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [1,0,0,1,0,0|2,0,0]=4 311 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [1,0,0,1,0,0|2,0,0]=4 312 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [1,0,0,1,0,0|2,0,0]=4 313 B9R1.41 CN1CCCC1C(=O)O SBB108828 [1,0,0,1,0,0|2,0,0]=4 314 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [1,0,0,1,0,0|1,0,1]=4 315 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [1,0,0,1,0,0|1,0,0]=3 316 B11R1.4 CCCCCCC1OCCO1 SBB060884 [0,1,0,1,0,0|0,0,2]=4 317 B11R1.16 CCCC(O)C1CCCCC1 SBB071419 [0,1,0,1,0,0|0,0,2]=4 318 B11R1.16 CCOC(=O)C1CCCNC1 SBB027354 [0,1,0,1,0,0|1,0,0]=3 319 B11R1.16 CCOC(=O)C1CCNCC1 SBB004006 [0,1,0,1,0,0|1,0,0]=3 320 B11R1.16 CCOC(=O)C1CNCCO1 SBB054017 [0,1,0,1,0,0|2,0,0]=4 321 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 SBB054010 [0,1,0,1,0,0|1,0,0]=3 322 B11R1.16 CCOC(=O)[C@H]1CCCNC1 SBB066252 [0,1,0,1,0,0|1,0,0]=3 323 B11R1.16 CN(CCN)C1CCCCC1 SBB017937 [0,1,0,1,0,0|2,0,0]=4 324 B11R1.16 N#CCC(=O)N1CCCCC1 SBB000112 [0,1,0,1,0,0|1,0,1]=4 325 B11R1.16 N1CCN(C(=O)OCC)CC1 SBB003993 [0,1,0,1,0,0|2,0,0]=4 326 B11R1.16 NCCC(=O)N1CCCCC1 SBB302636 [0,1,0,1,0,0|1,0,0]=3 327 B11R1.16 O=C(CCBr)N1CCOCC1 SBB302924 [0,1,0,1,0,0|2,0,0]=4 328 B11R1.30 CCOC(=O)CN1CCCC1 SBB111745 [0,1,0,1,0,0|1,0,0]=3 329 B11R1.199 CCOC(=O)C1CCCC1=O SBB048123 [0,1,0,1,0,0|1,0,1]=4 330 B11R1.40 C=CC(=O)NC1CCCCC1 SBB056517 [0,1,0,1,0,0|0,0,2]=4 331 B11R1.40 CCC(N)CN1CCCCC1 SBB017940 [0,1,0,1,0,0|1,0,1]=4 332 B11R1.40 COC(=O)CC1CCNCC1 SBB018691 [0,1,0,1,0,0|1,0,0]=3 333 B11R1.40 COC(=O)CC1CNCCN1 SBB054016 [0,1,0,1,0,0|2,0,0]=4 334 B11R1.40 COC(=O)CC1CNCCO1 SBB054018 [0,1,0,1,0,0|2,0,0]=4 335 B11R1.40 NNC(=O)CC1CCNCC1 SBB046472 [0,1,0,1,0,0|2,0,0]=4 336 B11R1.40 NNC(=O)CN1CCCCC1 SBB072021 [0,1,0,1,0,0|2,0,0]=4 337 B11R1.40 NNC(=O)NC1CCCCC1 SBB072937 [0,1,0,1,0,0|2,0,0]=4 338 B11R1.40 O=C(CBr)NC1CCCCC1 SBB080041 [0,1,0,1,0,0|1,0,0]=3 339 B11R1.40 O=C(CCl)NC1CCCCC1 SBB017388 [0,1,0,1,0,0|1,0,0]=3 340 B11R1.222 CCC(=O)C1CCCCC1=O SBB056586 [0,1,0,1,0,0|0,0,1]=3 341 B11R1.83 CCCN1CCC(=NO)CC1 SBB021193 [0,1,0,1,0,0|1,0,1]=4 342 B11R1.20 CC(=O)NC1CCC(=O)CC1 SBB062705 [0,1,0,1,0,0|1,0,1]=4 343 B11R1.23 CC1CCCN(C(=O)CCl)C1 SBB301316 [0,1,0,1,0,0|2,0,0]=4 344 B11R1.23 COC(=O)N1CCCC(O)C1 SBB047763 [0,1,0,1,0,0|2,0,0]=4 345 B11R1.22 CC1CCN(C(=O)CCl)CC1 SBB010590 [0,1,0,1,0,0|2,0,0]=4 346 B11R1.22 COC(=O)C1CCC(O)CC1 SBB054036 [0,1,0,1,0,0|1,0,0]=3 347 B11R1.1 CCCCC1CCC(=O)CC1 SBB059680 [0,1,0,1,0,0|0,0,0]=2 348 B11R1.1 CCCCN1CCC(=O)CC1 SBB087084 [0,1,0,1,0,0|0,0,0]=2 349 B11R1.1 [C@H]1(N)CC[C@@H](CCCC)CC1 SBB059718 [0,1,0,1,0,0|1,0,1]=4 350 B11R1.1 [C@H]1(O)CC[C@H](CCCC)CC1 SBB059708 [0,1,0,1,0,0|0,0,2]=4 351 B11R1.25 NNC(=O)CCC1CCCC1 SBB030323 [0,1,0,1,0,0|2,0,0]=4 352 B11R1.25 O=C(CBr)NCC1CCCO1 SBB080544 [0,1,0,1,0,0|2,0,0]=4 353 B11R1.25 O=C(CCl)NCC1CCCO1 SBB042460 [0,1,0,1,0,0|2,0,0]=4 354 B11R1.852 O=C(CCl)N1CCCCCC1 SBB038719 [0,1,0,1,0,0|1,0,0]=3 355 B11R1.36 CC(N)C(=O)N1CCCCC1 SBB002500 [0,1,0,1,0,0|1,0,0]=3 356 B11R1.878 COC(=O)C1(Br)CCCCC1 SBB057357 [0,1,0,1,0,0|1,0,0]=3 357 B11R1.878 COC(=O)C1(N)CCCCC1 SBB302709 [0,1,0,1,0,0|1,0,0]=3 358 B11R2.34 O=C1CCN(C2CC2)CC1 SBB086103 [0,0,0,2,0,0|1,0,0]=3 359 B11R2.106 O=C1CCNC2CCCC12 SBB002318 [0,0,0,2,0,0|1,0,0]=3 360 B11R2.40 NC1(C2CCCCC2)CC1 SBB072406 [0,0,0,2,0,0|1,0,1]=4 361 B11R2.10 O=C1OC2CCCCC2O1 SBB002057 [0,0,0,2,0,0|2,0,0]=4 362 B11R2.126 CC12CCC(=O)N1CCN2 SBB010279 [0,0,0,2,0,0|2,0,0]=4