0 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 C=C(C)CSCCCC SBB061593 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.7 CC(=O)CCCOC=O SBB001557 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.7 CCCCCCC(=O)O SBB053587 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.7 CCCCCCC(C)=O SBB060387 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.7 CCCCCCC(C)Br SBB060198 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.7 CCCCCCC(C)N SBB028238 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.7 CCCCCCC(C)O SBB059903 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.7 CCCCCCN(C)C SBB059990 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.7 CCCCCOC(C)=O SBB060027 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.7 CCCCSCC(=O)O SBB061205 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.7 CCCNCCC(N)=O SBB116773 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.7 CCOCCOC(C)=O SBB061000 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.7 COCCOCC(=O)O SBB008497 [0,0,0,0,0,0|3,1,0]=4 16 B8R0.7 NCCCCCC(=O)O SBB015068 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.1 C=CCCCCCC SBB059884 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.1 CCCCCCOC SBB061157 [1,0,0,0,0,0|1,1,1]=4 20 B7R0.1 CCCCCOC=O SBB060301 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.1 CSCCCN=C=S SBB066566 [1,0,0,0,0,0|1,1,1]=4 22 B7R0.1 C\C=C\CCCCC SBB059885 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.4 C#CCCCC(=O)O SBB009090 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 CC(C)OCCCN SBB061717 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 CCCC#CC(=O)O SBB009091 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.4 CCCCCC(=O)O SBB053586 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.4 CCCCCC(C)=O SBB061125 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.4 CCCCCC(N)=O SBB061056 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.4 CCCCNC(N)=S SBB028242 [1,0,0,0,0,0|2,1,0]=4 31 B7R0.4 CCCCOC(Cl)Cl SBB060510 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 CCCCOC(N)=O SBB060819 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 CCOCCC(=O)O SBB053607 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.4 CNCCCN(C)C SBB052125 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.4 COCCOC(C)=O SBB060999 [1,0,0,0,0,0|0,1,0]=2 37 B7R0.4 NCCCCC(=O)O SBB061559 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.4 O=C(O)CCCCBr SBB061343 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.4 O=C(O)CCCCCl SBB061215 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [1,0,0,0,0,0|2,1,0]=4 41 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,1,0,0,0,0|2,0,0]=3 42 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,1,0,0,0,0|2,0,0]=3 45 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,1,0,0,0,0|3,0,0]=4 46 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,1,0,0,0,0|3,0,0]=4 48 B9R0.2 COCCNCCC(N)=O SBB116772 [0,1,0,0,0,0|2,1,0]=4 49 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,1,0,0,0,0|2,0,0]=3 53 B9R0.46 CCCCCCC(=O)NN SBB021011 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,1,0,0,0,0|2,0,0]=3 56 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,1,0,0,0,0|1,0,0]=2 58 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,1,0,0,0,0|1,0,0]=2 59 B9R0.46 COC(=O)CCCCCN SBB003739 [0,1,0,0,0,0|3,0,0]=4 60 B9R0.46 COCCCNC(=O)CCl SBB017961 [0,1,0,0,0,0|1,1,0]=3 61 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,1,0,0,0,0|3,0,0]=4 63 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,1,0,0,0,0|3,0,0]=4 65 B9R0.55 CC(=O)NCCNC(C)=O SBB007829 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.55 CC(=O)OCCOC(C)=O SBB060701 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [0,0,0,1,0,0|2,1,0]=4 75 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,0,0,1,0,0|2,1,0]=4 79 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,0,0,1,0,0|1,0,0]=2 82 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,0,0,1,0,0|3,0,0]=4 83 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,0,0,1,0,0|3,0,0]=4 86 B9R1.41 CN1CCCC1C(=O)O SBB108828 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,0,0,1,0,0|3,0,0]=4 90 B6R0.6 C=CCCCCC SBB059882 [2,0,0,0,0,0|1,0,1]=4 91 B6R0.6 CCCCCOC SBB061300 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.6 CCCCNC=O SBB060026 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.6 CCCCOC=O SBB060300 [2,0,0,0,0,0|0,0,0]=2 94 B6R0.6 CCCCSCC SBB061178 [2,0,0,0,0,0|0,1,1]=4 95 B6R0.6 CCC\C=C\C=O SBB067097 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.6 CCOCCCN SBB028180 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.4 C=CCCC(C)=O SBB009089 [2,0,0,0,0,0|0,0,2]=4 98 B6R0.4 CC(=O)NCCCl SBB008165 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.4 CC(=O)NCCN SBB028176 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 CC(=O)NCCO SBB007954 [2,0,0,0,0,0|1,1,0]=4 101 B6R0.4 CC(=O)OCCCl SBB058505 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.4 CCC#CC(C)=O SBB009086 [2,0,0,0,0,0|0,0,2]=4 103 B6R0.4 CCCCC(=O)O SBB053585 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|0,0,0]=2 105 B6R0.4 CCCCC(C)O SBB061290 [2,0,0,0,0,0|0,0,2]=4 106 B6R0.4 CCCCC(N)=O SBB028169 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.4 CCCCN(C)C SBB060243 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.4 CCCNC(N)=O SBB028174 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.4 CCCOC(C)=O SBB060305 [2,0,0,0,0,0|0,0,0]=2 110 B6R0.4 CCCOC(N)=O SBB000036 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.4 CCOCC(=O)O SBB069120 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.4 CCSCC(=O)O SBB047288 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.4 CNCCC(N)=O SBB080375 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.4 NCCCC(=O)O SBB028179 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.4 O=C(Cl)CCCCl SBB060894 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.4 O=C(O)CCCBr SBB065986 [2,0,0,0,0,0|2,0,0]=4 117 B8R0.4 CCCCCCCC=O SBB059871 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.4 CCCCCCNC=O SBB061175 [1,1,0,0,0,0|2,0,0]=4 119 B8R0.4 CCCCCCOC=O SBB060302 [1,1,0,0,0,0|1,0,0]=3 120 B8R0.4 CCCCCCSCC SBB061179 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.4 C\C=C\CSCCCC SBB061594 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.5 CCCC(C)CC(=O)O SBB061321 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [1,1,0,0,0,0|1,0,0]=3 125 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [1,1,0,0,0,0|2,0,0]=4 126 B8R0.8 CCCCC(C)C(=O)O SBB072714 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.8 CCCCC(N)C(C)=O SBB014561 [1,1,0,0,0,0|1,0,0]=3 128 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [1,1,0,0,0,0|2,0,0]=4 129 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [1,1,0,0,0,0|1,0,0]=3 130 B8R0.28 CC(=O)OCCC(C)C SBB040873 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.28 CC(=O)OCOC(C)=O SBB061325 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.28 CC(C)=CCCC(C)O SBB008067 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.28 CC(C)CCCC(=O)O SBB072713 [1,1,0,0,0,0|2,0,0]=4 134 B8R0.28 OC(=O)CCCN(C)C SBB005767 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [1,1,0,0,0,0|2,0,0]=4 136 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,2,0,0,0,0|1,0,0]=3 137 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,2,0,0,0,0|1,0,0]=3 138 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,2,0,0,0,0|1,0,0]=3 139 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [0,2,0,0,0,0|2,0,0]=4 140 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,2,0,0,0,0|2,0,0]=4 141 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,2,0,0,0,0|2,0,0]=4 142 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,2,0,0,0,0|1,0,0]=3 143 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,2,0,0,0,0|1,0,0]=3 144 B10R0.74 CCOCCCNC(=O)CCl SBB010645 [0,2,0,0,0,0|1,1,0]=4 145 B10R0.74 O=C(CCl)OCCOCCCl SBB061274 [0,2,0,0,0,0|2,0,0]=4 146 B10R0.75 CCCCCCC(=O)N(C)C SBB008017 [0,2,0,0,0,0|2,0,0]=4 147 B10R0.97 CC(=O)OCCCOC(C)=O SBB008022 [0,2,0,0,0,0|0,1,0]=3 148 B10R0.87 CC(=O)OC(CBr)CCCBr SBB008125 [0,2,0,0,0,0|2,0,0]=4 149 B10R0.96 CC(=O)OCC(C)OC(C)=O SBB008331 [0,2,0,0,0,0|2,0,0]=4 150 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,2,0,0,0,0|2,0,0]=4 151 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,2,0,0,0,0|1,0,0]=3 152 B8R1.2 C(=O)N1CCCCC1 SBB004316 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.5 CC1=C(C)CCCC1 SBB060472 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.5 CC1=NCCCN1C SBB001664 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.5 CC1CCCCC1=O SBB058517 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.22 O=C1CCCCCC1 SBB060075 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.22 O=C1CCCCCN1 SBB058658 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.49 C1=CCCCCCC1 SBB059890 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.1 CCC1COC(=O)O1 SBB008625 [1,0,0,1,0,0|1,0,0]=3 160 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.7 O=C(O)C1CCCC1 SBB065782 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.7 O=C(O)C1CCNC1 SBB053378 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.7 O=C(O)C1CCNC1 SBB069272 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.7 O=C(O)C1CCOC1 SBB053083 [1,0,0,1,0,0|1,1,0]=4 166 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.34 O=C(O)CC1CCC1 SBB050298 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [1,0,0,1,0,0|2,0,0]=4 170 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [0,1,0,1,0,0|2,0,0]=4 171 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [0,1,0,1,0,0|2,0,0]=4 172 B10R1.18 CC(=O)NC1CCCNC1 SBB047941 [0,1,0,1,0,0|2,0,0]=4 173 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [0,1,0,1,0,0|1,0,0]=3 174 B10R1.64 CC(=O)NC1CCSC1=O SBB056942 [0,1,0,1,0,0|1,0,1]=4 175 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [0,1,0,1,0,0|2,0,0]=4 176 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,1,0,1,0,0|2,0,0]=4 177 B10R1.1 CCCC1CCC(=O)CC1 SBB008421 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.15 COC(=O)C1CCCCC1 SBB008423 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.15 O=C(CBr)N1CCCCC1 SBB051006 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.15 O=C(CCl)N1CCCCC1 SBB072651 [0,1,0,1,0,0|2,0,0]=4 181 B10R1.27 O=C(CBr)NC1CCCC1 SBB080105 [0,1,0,1,0,0|2,0,0]=4 182 B10R1.27 O=C(CCl)NC1CCCC1 SBB042522 [0,1,0,1,0,0|2,0,0]=4 183 B10R1.27 O=C(CCl)OC1CCCC1 SBB060738 [0,1,0,1,0,0|1,0,0]=3 184 B10R1.363 CC(=O)C1(N)CCCCC1 SBB013031 [0,1,0,1,0,0|2,0,0]=4