0 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 C=C(C)CSCCCC SBB061593 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.7 C=CCNCCC(N)=O SBB116743 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.7 CC(=O)CCCOC=O SBB001557 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.7 CC(C)CCCCCBr SBB054753 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.7 CC(C)CNCCCO SBB301242 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.7 CCCCCCC(=O)O SBB053587 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.7 CCCCCCC(C)=O SBB060387 [0,0,0,0,0,0|0,0,0]=0 10 B8R0.7 CCCCCCC(C)Br SBB060198 [0,0,0,0,0,0|1,0,1]=2 11 B8R0.7 CCCCCCC(C)N SBB028238 [0,0,0,0,0,0|1,0,1]=2 12 B8R0.7 CCCCCCC(C)O SBB059903 [0,0,0,0,0,0|0,0,2]=2 13 B8R0.7 CCCCCCN(C)C SBB059990 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.7 CCCCCOC(C)=O SBB060027 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.7 CCCCNCC(C)C SBB059764 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.7 CCCCNCC(C)O SBB059782 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.7 CCCCSCC(=O)O SBB061205 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.7 CCCNCCC(N)=O SBB116773 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.7 CCOCCOC(C)=O SBB061000 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.7 CN(C)CCCCC#N SBB072265 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.7 CN(C)CCCCCN SBB008565 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.7 CN(C)CCOCCO SBB056528 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.7 COCCOCC(=O)O SBB008497 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.7 N#CCCNCC(=O)O SBB005852 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.7 NC(=O)CCNCCO SBB116776 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.7 NCCCCCC(=O)O SBB015068 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.7 O=C(O)CCNCCO SBB079386 [0,0,0,0,0,0|3,0,0]=3 29 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.1 BrCCCCCCBr SBB060205 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 C#CCNCCCC SBB300093 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.1 C=CCCCCCC SBB059884 [1,0,0,0,0,0|0,0,1]=2 33 B7R0.1 C=CCSCCCC SBB058522 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.1 CCCCCCC#N SBB060052 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.1 CCCCCCCBr SBB059936 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.1 CCCCCCCCl SBB059954 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.1 CCCCCCCN SBB059985 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.1 CCCCCCOC SBB061157 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.1 CCCCCN=C=S SBB085742 [1,0,0,0,0,0|1,1,1]=4 40 B7R0.1 CCCCCOC=O SBB060301 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.1 CCCCCSC#N SBB060089 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.1 CCCCNCCC SBB059822 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.1 CCCCOCCBr SBB007731 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.1 CCCCOCCCl SBB059964 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.1 CCCCOCCO SBB059918 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.1 CCCCSCCN SBB072659 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.1 CCCCSCCO SBB013616 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.1 CCCCSCCS SBB057435 [1,0,0,0,0,0|1,1,1]=4 49 B7R0.1 CCCNCCC#N SBB059761 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.1 CCCOCCCN SBB056585 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.1 CCCSSCCC SBB058501 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.1 CCNCCCCO SBB052126 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.1 CCNCCNCC SBB072869 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.1 COCCOCCCl SBB059966 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.1 COCCOCCO SBB059920 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.1 COCCOCCS SBB061387 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.1 COCCSCCO SBB061070 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.1 C\C=C\CCCCC SBB059885 [1,0,0,0,0,0|0,0,1]=2 59 B7R0.1 ClCCCCCCCl SBB060213 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.1 N#CCCCCCBr SBB058579 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.1 NCCCCCCN SBB059999 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.1 OCCCCCCBr SBB054752 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.1 OCCCCCCCl SBB060188 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.1 OCCCCCCN SBB006584 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.1 OCCCCCCO SBB059915 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.1 OCCCCCCS SBB058615 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.4 C#CCCCC(=O)O SBB009090 [1,0,0,0,0,0|1,0,2]=4 68 B7R0.4 CC(C)CCCCBr SBB008833 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.4 CCCC#CC(=O)O SBB009091 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.4 CCCCCC(=O)O SBB053586 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.4 CCCCCC(C)=O SBB061125 [1,0,0,0,0,0|0,0,0]=1 73 B7R0.4 CCCCCC(N)=O SBB061056 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.4 CCCCNC(N)=S SBB028242 [1,0,0,0,0,0|2,1,0]=4 75 B7R0.4 CCCCOC(N)=O SBB060819 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.4 CCCOCC(C)O SBB061007 [1,0,0,0,0,0|1,0,2]=4 77 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.4 CCOCCC(=O)O SBB053607 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.4 CN(C)CCCCN SBB008514 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.4 CNCCCN(C)C SBB052125 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.4 COCCOC(C)=O SBB060999 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.4 NCCCCC(=O)O SBB061559 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.4 O=C(O)CCCCBr SBB061343 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.4 O=C(O)CCCCCl SBB061215 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,0,0,0,0,0|1,0,2]=4 86 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [1,0,0,0,0,0|3,0,0]=4 87 B9R0.1 C=C(C)C#CCC(O)CC SBB009083 [0,1,0,0,0,0|1,0,2]=4 88 B9R0.1 CCC(C)NCCC(N)=O SBB116742 [0,1,0,0,0,0|2,0,0]=3 89 B9R0.1 COC(=O)CCCC(=O)Cl SBB067933 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,1,0,0,0,0|1,0,0]=2 93 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,1,0,0,0,0|1,0,0]=2 94 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,1,0,0,0,0|0,0,0]=1 95 B9R0.2 CCCCCCCC(C)O SBB008521 [0,1,0,0,0,0|0,0,2]=3 96 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.2 CCCCCCCN(C)C SBB061364 [0,1,0,0,0,0|2,0,0]=3 98 B9R0.2 CCCCCCNC(N)=S SBB028342 [0,1,0,0,0,0|1,1,0]=3 99 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,1,0,0,0,0|0,0,0]=1 100 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.2 CCOCCOCC(C)O SBB061150 [0,1,0,0,0,0|1,0,2]=4 102 B9R0.2 COCCNCCC(N)=O SBB116772 [0,1,0,0,0,0|2,0,0]=3 103 B9R0.2 COCCOCCN(C)C SBB056705 [0,1,0,0,0,0|3,0,0]=4 104 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,1,0,0,0,0|1,0,0]=2 105 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,1,0,0,0,0|1,0,0]=2 106 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,1,0,0,0,0|2,0,0]=3 107 B9R0.4 COCCN(C)CC(=O)O SBB046598 [0,1,0,0,0,0|3,0,0]=4 108 B9R0.38 CCCCCCP(=O)(O)O SBB057477 [0,1,0,0,0,0|2,0,0]=3 109 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,1,0,0,0,0|0,0,2]=3 110 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,1,0,0,0,0|0,0,0]=1 111 B9R0.46 CCCCCCC(=O)NN SBB021011 [0,1,0,0,0,0|1,0,0]=2 112 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,1,0,0,0,0|0,0,0]=1 113 B9R0.46 CCCCCCC(Cl)CCl SBB059980 [0,1,0,0,0,0|1,0,1]=3 114 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,1,0,0,0,0|1,0,0]=2 115 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,1,0,0,0,0|1,0,0]=2 116 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,1,0,0,0,0|1,0,0]=2 117 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,1,0,0,0,0|1,0,0]=2 118 B9R0.46 CCCCOCC(O)CC SBB061149 [0,1,0,0,0,0|1,0,2]=4 119 B9R0.46 CCCCOCC(O)CCl SBB059972 [0,1,0,0,0,0|1,0,2]=4 120 B9R0.46 CCCCOCC(O)CO SBB060185 [0,1,0,0,0,0|1,0,2]=4 121 B9R0.46 COC(=O)CCCCCN SBB003739 [0,1,0,0,0,0|1,0,0]=2 122 B9R0.46 COCCCNC(=O)CCl SBB017961 [0,1,0,0,0,0|2,0,0]=3 123 B9R0.46 NNC(=O)CCCCCO SBB072600 [0,1,0,0,0,0|2,0,0]=3 124 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [0,1,0,0,0,0|2,0,1]=4 125 B9R0.47 CCCCCC(Cl)C(C)Cl SBB060458 [0,1,0,0,0,0|1,0,1]=3 126 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [0,1,0,0,0,0|2,0,0]=3 127 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [0,1,0,0,0,0|2,0,0]=3 128 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [0,1,0,0,0,0|2,0,0]=3 129 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,1,0,0,0,0|0,0,1]=2 130 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,1,0,0,0,0|1,0,1]=3 132 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,1,0,0,0,0|1,0,1]=3 133 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,1,0,0,0,0|2,0,1]=4 134 B9R0.55 CC(=O)NCCNC(C)=O SBB007829 [0,1,0,0,0,0|2,0,1]=4 135 B9R0.55 CC(=O)OCCOC(C)=O SBB060701 [0,1,0,0,0,0|2,0,1]=4 136 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,1,0,0,0,0|1,0,0]=2 137 B9R0.55 NC(=O)CCCCC(N)=O SBB040916 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.55 O=C(Cl)CCCCC(=O)Cl SBB058892 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,0,0,1,0,0|1,0,0]=2 141 B9R1.2 CCN1CCCC(N)C1 SBB010256 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.2 CN1CCCC(CN)C1 SBB085275 [0,0,0,1,0,0|3,0,0]=4 143 B9R1.2 CN1CCCC(CO)C1 SBB108760 [0,0,0,1,0,0|3,0,0]=4 144 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,0,0,1,0,0|1,0,0]=2 145 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,0,0,1,0,0|1,0,0]=2 146 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,0,0,1,0,0|2,0,0]=3 147 B9R1.6 CC(C)C1CCCCC1 SBB061161 [0,0,0,1,0,0|1,0,1]=3 148 B9R1.6 CN(C)C1CCCCC1 SBB060234 [0,0,0,1,0,0|2,0,0]=3 149 B9R1.6 CN(C)C1CCCCO1 SBB072697 [0,0,0,1,0,0|3,0,0]=4 150 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [0,0,0,1,0,0|1,0,1]=3 151 B9R1.6 N=C(N)N1CCCCC1 SBB056068 [0,0,0,1,0,0|3,0,0]=4 152 B9R1.6 N=C(N)N1CCCCC1 SBB056091 [0,0,0,1,0,0|3,0,0]=4 153 B9R1.6 NC(=O)C1CC=CCC1 SBB056263 [0,0,0,1,0,0|1,0,2]=4 154 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [0,0,0,1,0,0|1,0,0]=2 155 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.6 NC(=O)C1CNCCN1 SBB056122 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.6 NC(=O)N1CCNCC1 SBB010258 [0,0,0,1,0,0|3,0,0]=4 162 B9R1.6 NC(=O)N1CCNCC1 SBB087950 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.6 NC(=S)N1CCCCC1 SBB028272 [0,0,0,1,0,0|2,1,0]=4 164 B9R1.6 O=C(Cl)C1CC=CCC1 SBB053674 [0,0,0,1,0,0|1,0,2]=4 165 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [0,0,0,1,0,0|1,0,0]=2 166 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.6 O=C(Cl)N1CCOCC1 SBB061723 [0,0,0,1,0,0|3,0,0]=4 168 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,0,0,1,0,0|1,0,0]=2 169 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,0,0,1,0,0|2,0,0]=3 170 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,0,0,1,0,0|2,0,0]=3 172 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [0,0,0,1,0,0|2,0,0]=3 173 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [0,0,0,1,0,0|2,0,0]=3 174 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [0,0,0,1,0,0|2,0,0]=3 175 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [0,0,0,1,0,0|2,0,0]=3 176 B9R1.6 O=C(O)C1CCSCN1 SBB014841 [0,0,0,1,0,0|3,0,0]=4 177 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.6 O=C(O)C1CNCCS1 SBB053351 [0,0,0,1,0,0|3,0,0]=4 179 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [0,0,0,1,0,0|3,0,0]=4 180 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,0,0,1,0,0|2,0,0]=3 181 B9R1.6 OB(O)C1CCCCC1 SBB052596 [0,0,0,1,0,0|2,0,1]=4 182 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,0,0,1,0,0|1,0,2]=4 183 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [0,0,0,1,0,0|1,0,2]=4 184 B9R1.6 OC(=O)C1CNCCN1 SBB004226 [0,0,0,1,0,0|3,0,0]=4 185 B9R1.7 CCCC1=NNC(=O)C1 SBB116793 [0,0,0,1,0,0|2,0,1]=4 186 B9R1.7 CCCC1OCC(C)O1 SBB060973 [0,0,0,1,0,0|1,0,2]=4 187 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,0,0,1,0,0|0,0,0]=1 188 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,0,0,1,0,0|1,0,0]=2 189 B9R1.13 CC(N)CN1CCCC1 SBB014676 [0,0,0,1,0,0|2,0,1]=4 190 B9R1.13 CC(O)CN1CCCC1 SBB056722 [0,0,0,1,0,0|1,0,2]=4 191 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,0,0,1,0,0|1,0,0]=2 192 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [0,0,0,1,0,0|2,0,0]=3 193 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,0,0,1,0,0|1,0,0]=2 194 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [0,0,0,1,0,0|2,0,0]=3 195 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,0,0,1,0,0|2,0,0]=3 196 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [0,0,0,1,0,0|2,0,0]=3 197 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [0,0,0,1,0,0|2,0,1]=4 198 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,0,0,1,0,0|2,0,1]=4 199 B9R1.41 CN1CCCC1C(=O)O SBB108828 [0,0,0,1,0,0|2,0,0]=3 200 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,0,0,1,0,0|1,0,1]=3 201 B9R1.50 NC1CCCCCCC1 SBB004245 [0,0,0,1,0,0|1,0,1]=3 202 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,0,0,1,0,0|0,0,0]=1 203 B9R1.50 OC1CCCCCCC1 SBB058905 [0,0,0,1,0,0|0,0,2]=3 204 B9R1.83 CCCCCCC1CO1 SBB017138 [0,0,0,1,0,0|0,0,2]=3 205 B9R1.83 CCCCOCC1CO1 SBB060096 [0,0,0,1,0,0|1,0,2]=4 206 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,0,0,1,0,0|1,0,0]=2 207 B6R0.6 C#CCCCCC SBB067441 [2,0,0,0,0,0|0,0,2]=4 208 B6R0.6 C=CCCCCBr SBB054740 [2,0,0,0,0,0|1,0,1]=4 209 B6R0.6 C=CCCCCC SBB059882 [2,0,0,0,0,0|0,0,1]=3 210 B6R0.6 CCCCCC#N SBB060051 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.6 CCCCCCBr SBB059934 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.6 CCCCCCCl SBB059952 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.6 CCCCCCN SBB059984 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.6 CCCCCCO SBB059899 [2,0,0,0,0,0|0,0,1]=3 215 B6R0.6 CCCCCOC SBB061300 [2,0,0,0,0,0|1,0,0]=3 216 B6R0.6 CCCCNC=O SBB060026 [2,0,0,0,0,0|1,0,0]=3 217 B6R0.6 CCCCOC=O SBB060300 [2,0,0,0,0,0|1,0,0]=3 218 B6R0.6 CCCCSCC SBB061178 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.6 CCCNCCC SBB059762 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.6 CCCOCCO SBB061379 [2,0,0,0,0,0|1,0,1]=4 221 B6R0.6 CCCSCCC SBB061017 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.6 CCCSCCO SBB058605 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.6 CCC\C=C\C=O SBB067097 [2,0,0,0,0,0|0,0,2]=4 224 B6R0.6 CCOCCCN SBB028180 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.6 NCCCCCN SBB079706 [2,0,0,0,0,0|2,0,0]=4 226 B6R0.4 C=CCCC(C)=O SBB009089 [2,0,0,0,0,0|0,0,2]=4 227 B6R0.4 CC(=O)NCCCl SBB008165 [2,0,0,0,0,0|2,0,0]=4 228 B6R0.4 CC(=O)NCCN SBB028176 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.4 CC(=O)NCCO SBB007954 [2,0,0,0,0,0|2,0,0]=4 230 B6R0.4 CC(=O)OCCCl SBB058505 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.4 CCC#CC(C)=O SBB009086 [2,0,0,0,0,0|0,0,2]=4 232 B6R0.4 CCCCC(=O)O SBB053585 [2,0,0,0,0,0|1,0,0]=3 233 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|0,0,0]=2 234 B6R0.4 CCCCC(C)O SBB061290 [2,0,0,0,0,0|0,0,2]=4 235 B6R0.4 CCCCC(N)=O SBB028169 [2,0,0,0,0,0|1,0,0]=3 236 B6R0.4 CCCCN(C)C SBB060243 [2,0,0,0,0,0|2,0,0]=4 237 B6R0.4 CCCNC(N)=O SBB028174 [2,0,0,0,0,0|2,0,0]=4 238 B6R0.4 CCCOC(C)=O SBB060305 [2,0,0,0,0,0|1,0,0]=3 239 B6R0.4 CCCOC(N)=O SBB000036 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.4 CCOCC(=O)O SBB069120 [2,0,0,0,0,0|2,0,0]=4 241 B6R0.4 CCSCC(=O)O SBB047288 [2,0,0,0,0,0|2,0,0]=4 242 B6R0.4 CNCCC(N)=O SBB080375 [2,0,0,0,0,0|2,0,0]=4 243 B6R0.4 NCCCC(=O)O SBB028179 [2,0,0,0,0,0|2,0,0]=4 244 B6R0.4 O=C(Cl)CCCCl SBB060894 [2,0,0,0,0,0|2,0,0]=4 245 B6R0.4 O=C(O)CCCBr SBB065986 [2,0,0,0,0,0|2,0,0]=4 246 B8R0.1 CCCCC(O)CCC SBB059905 [1,1,0,0,0,0|0,0,1]=3 247 B8R0.4 C#CCCCCCCO SBB062745 [1,1,0,0,0,0|0,0,2]=4 248 B8R0.4 C=CCCCCCCC SBB060474 [1,1,0,0,0,0|0,0,1]=3 249 B8R0.4 CC#CCNCCCC SBB010247 [1,1,0,0,0,0|0,0,2]=4 250 B8R0.4 CCCCCC#CCO SBB009105 [1,1,0,0,0,0|0,0,2]=4 251 B8R0.4 CCCCCCCC#N SBB060053 [1,1,0,0,0,0|0,0,2]=4 252 B8R0.4 CCCCCCCC=O SBB059871 [1,1,0,0,0,0|0,0,0]=2 253 B8R0.4 CCCCCCCCBr SBB059937 [1,1,0,0,0,0|0,0,1]=3 254 B8R0.4 CCCCCCCCCl SBB059955 [1,1,0,0,0,0|0,0,1]=3 255 B8R0.4 CCCCCCCCN SBB059986 [1,1,0,0,0,0|0,0,1]=3 256 B8R0.4 CCCCCCCCO SBB059902 [1,1,0,0,0,0|0,0,1]=3 257 B8R0.4 CCCCCCCNC SBB059820 [1,1,0,0,0,0|0,0,1]=3 258 B8R0.4 CCCCCCN=C=O SBB058614 [1,1,0,0,0,0|0,0,1]=3 259 B8R0.4 CCCCCCN=C=S SBB061289 [1,1,0,0,0,0|0,1,1]=4 260 B8R0.4 CCCCCCNC=O SBB061175 [1,1,0,0,0,0|0,0,0]=2 261 B8R0.4 CCCCCCOC=O SBB060302 [1,1,0,0,0,0|0,0,0]=2 262 B8R0.4 CCCCCCSCC SBB061179 [1,1,0,0,0,0|0,0,1]=3 263 B8R0.4 CCCCCNCCO SBB059826 [1,1,0,0,0,0|0,0,2]=4 264 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,1,0,0,0,0|0,0,1]=3 265 B8R0.4 CCCCNCCC#N SBB017631 [1,1,0,0,0,0|1,0,1]=4 266 B8R0.4 CCCCNCCCC SBB059755 [1,1,0,0,0,0|0,0,1]=3 267 B8R0.4 CCCCNCCOC SBB056732 [1,1,0,0,0,0|1,0,0]=3 268 B8R0.4 CCCCOCCC#N SBB058573 [1,1,0,0,0,0|1,0,1]=4 269 B8R0.4 CCCCOCCCC SBB060059 [1,1,0,0,0,0|0,0,1]=3 270 B8R0.4 CCCCOCCCN SBB061718 [1,1,0,0,0,0|1,0,1]=4 271 B8R0.4 CCCCSCCCC SBB060667 [1,1,0,0,0,0|0,0,1]=3 272 B8R0.4 COCCNCCOC SBB059845 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.4 COCCOCCCN SBB061669 [1,1,0,0,0,0|2,0,0]=4 274 B8R0.4 C\C=C\CSCCCC SBB061594 [1,1,0,0,0,0|0,0,1]=3 275 B8R0.4 N#CCCCCCCBr SBB068343 [1,1,0,0,0,0|1,0,1]=4 276 B8R0.4 NCCCCCCCN SBB058724 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.4 OCCCCCCCBr SBB061558 [1,1,0,0,0,0|0,0,2]=4 278 B8R0.6 C#CC(O)CCCCC SBB009107 [1,1,0,0,0,0|0,0,2]=4 279 B8R0.6 CCCCCC(=O)CC SBB060388 [1,1,0,0,0,0|0,0,2]=4 280 B8R0.6 CCCCCC(=O)OC SBB060591 [1,1,0,0,0,0|1,0,1]=4 281 B8R0.6 CCCCCC(Br)CBr SBB060499 [1,1,0,0,0,0|1,0,1]=4 282 B8R0.6 CCCCCC(O)CC SBB059904 [1,1,0,0,0,0|0,0,1]=3 283 B8R0.5 CCCC(C)CC(=O)O SBB061321 [1,1,0,0,0,0|1,0,0]=3 284 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [1,1,0,0,0,0|1,0,1]=4 285 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [1,1,0,0,0,0|0,0,1]=3 286 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [1,1,0,0,0,0|1,0,0]=3 287 B8R0.8 CCCCC(C)C(=O)O SBB072714 [1,1,0,0,0,0|1,0,0]=3 288 B8R0.8 CCCCC(N)C(C)=O SBB014561 [1,1,0,0,0,0|0,0,0]=2 289 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [1,1,0,0,0,0|1,0,0]=3 290 B8R0.8 NCCCC(N)C(=O)O SBB047988 [1,1,0,0,0,0|2,0,0]=4 291 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [1,1,0,0,0,0|2,0,0]=4 292 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [1,1,0,0,0,0|2,0,0]=4 293 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [1,1,0,0,0,0|2,0,0]=4 294 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [1,1,0,0,0,0|1,0,1]=4 295 B8R0.28 CC(=O)OCCC(C)C SBB040873 [1,1,0,0,0,0|1,0,0]=3 296 B8R0.28 CC(C)=CCCC(C)O SBB008067 [1,1,0,0,0,0|1,0,1]=4 297 B8R0.28 CC(C)CCCC(=O)O SBB072713 [1,1,0,0,0,0|1,0,0]=3 298 B8R0.28 OC(=O)CCCN(C)C SBB005767 [1,1,0,0,0,0|2,0,0]=4 299 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [1,1,0,0,0,0|2,0,0]=4 300 B10R0.3 C=C(C)CCCC(C)CC=O SBB060466 [0,2,0,0,0,0|1,0,1]=4 301 B10R0.3 CC(C)=CCCC(C)CCO SBB012357 [0,2,0,0,0,0|1,0,1]=4 302 B10R0.3 CC(C)CCC[C@H](C)CCO SBB007911 [0,2,0,0,0,0|1,0,1]=4 303 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,2,0,0,0,0|0,0,0]=2 304 B10R0.3 CCOC(=O)CCCC(=O)Cl SBB058617 [0,2,0,0,0,0|1,0,1]=4 305 B10R0.59 COC(=O)CCCC(=O)OC SBB058680 [0,2,0,0,0,0|1,0,1]=4 306 B10R0.82 NCC(O)CCC(N)C(=O)O SBB003558 [0,2,0,0,0,0|2,0,0]=4 307 B10R0.82 NCC(O)CCC(N)C(=O)O SBB071710 [0,2,0,0,0,0|2,0,0]=4 308 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [0,2,0,0,0,0|1,0,0]=3 309 B10R0.4 CCCCCCCCC(=O)O SBB058693 [0,2,0,0,0,0|1,0,0]=3 310 B10R0.4 CCCCCCCCC(N)=O SBB061053 [0,2,0,0,0,0|1,0,0]=3 311 B10R0.4 CCCCCCCCN(C)C SBB059991 [0,2,0,0,0,0|2,0,0]=4 312 B10R0.4 CCCCCCCNC(N)=S SBB017692 [0,2,0,0,0,0|1,1,0]=4 313 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,2,0,0,0,0|0,0,0]=2 314 B10R0.4 CCCCCCNCC(C)O SBB059797 [0,2,0,0,0,0|0,0,2]=4 315 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,2,0,0,0,0|0,0,0]=2 316 B10R0.4 CCCCSCCSC(=N)N SBB013617 [0,2,0,0,0,0|2,0,0]=4 317 B10R0.4 CN(C)CCCNCCCN SBB072006 [0,2,0,0,0,0|2,0,0]=4 318 B10R0.4 OC(=O)CCCCCCCN SBB006735 [0,2,0,0,0,0|1,0,0]=3 319 B10R0.4 [NH2+]=C(N)SCCCCCCC SBB056871 [0,2,0,0,0,0|2,0,0]=4 320 B10R0.6 COCCOC(=O)CC(C)=O SBB061715 [0,2,0,0,0,0|1,0,1]=4 321 B10R0.22 CCCCCCCP(=O)(O)O SBB057478 [0,2,0,0,0,0|2,0,0]=4 322 B10R0.55 COC(=O)CCCCC(=O)O SBB065981 [0,2,0,0,0,0|1,0,1]=4 323 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [0,2,0,0,0,0|0,0,1]=3 324 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,2,0,0,0,0|1,0,0]=3 325 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,2,0,0,0,0|0,0,0]=2 326 B10R0.74 CCCCCCCC(C)C=O SBB061221 [0,2,0,0,0,0|0,0,1]=3 327 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,2,0,0,0,0|0,0,0]=2 328 B10R0.74 CCCCCCNC(=S)NN SBB017696 [0,2,0,0,0,0|1,1,0]=4 329 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,2,0,0,0,0|0,0,0]=2 330 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,2,0,0,0,0|0,0,0]=2 331 B10R0.74 CCOCCCNC(=O)CCl SBB010645 [0,2,0,0,0,0|1,0,0]=3 332 B10R0.74 O=C(CCl)OCCOCCCl SBB061274 [0,2,0,0,0,0|2,0,0]=4 333 B10R0.75 CCCCCCC(=O)N(C)C SBB008017 [0,2,0,0,0,0|0,0,0]=2 334 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [0,2,0,0,0,0|1,0,0]=3 335 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [0,2,0,0,0,0|1,0,0]=3 336 B10R0.97 CC(=O)OCCCOC(C)=O SBB008022 [0,2,0,0,0,0|1,0,1]=4 337 B10R0.97 O=C(O)CCCCCC(=O)O SBB007898 [0,2,0,0,0,0|1,0,1]=4 338 B10R0.87 CC(=O)OC(CBr)CCCBr SBB008125 [0,2,0,0,0,0|2,0,0]=4 339 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,2,0,0,0,0|0,0,2]=4 340 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,2,0,0,0,0|0,0,0]=2 341 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,2,0,0,0,0|1,0,0]=3 342 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,2,0,0,0,0|1,0,0]=3 343 B8R1.2 BrCC1CCCNC1 SBB019055 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.2 C(=O)N1CCCCC1 SBB004316 [1,0,0,1,0,0|1,0,0]=3 345 B8R1.2 C(=O)N1CCNCC1 SBB027307 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.2 C(=O)N1CCOCC1 SBB007670 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.2 CCC1CCCCC1 SBB061162 [1,0,0,1,0,0|0,0,1]=3 348 B8R1.2 CCC1CCNCC1 SBB046379 [1,0,0,1,0,0|1,0,1]=4 349 B8R1.2 CCN1CCCCC1 SBB061409 [1,0,0,1,0,0|1,0,1]=4 350 B8R1.2 COC1C=CCCC1 SBB060461 [1,0,0,1,0,0|1,0,1]=4 351 B8R1.2 COC1CCNCC1 SBB019028 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.2 N#CC1CCCCC1 SBB008404 [1,0,0,1,0,0|1,0,1]=4 353 B8R1.2 N(C)C1CCCCC1 SBB004314 [1,0,0,1,0,0|1,0,0]=3 354 B8R1.2 N1CCCCC1CC SBB004312 [1,0,0,1,0,0|1,0,1]=4 355 B8R1.2 NCC1CCCCC1 SBB028193 [1,0,0,1,0,0|1,0,1]=4 356 B8R1.2 NCC1CCCOC1 SBB013821 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.2 O=CC1CC=CCC1 SBB068360 [1,0,0,1,0,0|0,0,2]=4 358 B8R1.2 O=CC1CCNCC1 SBB052337 [1,0,0,1,0,0|1,0,0]=3 359 B8R1.2 O=CC1CCOCC1 SBB052321 [1,0,0,1,0,0|1,0,0]=3 360 B8R1.2 OCC1CC=CCC1 SBB054865 [1,0,0,1,0,0|1,0,1]=4 361 B8R1.2 OCC1CCCCC1 SBB061328 [1,0,0,1,0,0|0,0,2]=4 362 B8R1.2 OCC1CCCOC1 SBB014200 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.5 CC1=C(C)CCCC1 SBB060472 [1,0,0,1,0,0|0,0,1]=3 364 B8R1.5 CC1=NCCCN1C SBB001664 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.5 CC1CCCCC1=O SBB058517 [1,0,0,1,0,0|0,0,0]=2 366 B8R1.5 CC1CCCCC1N SBB061724 [1,0,0,1,0,0|1,0,1]=4 367 B8R1.5 CC1CCCCN1C SBB060747 [1,0,0,1,0,0|1,0,0]=3 368 B8R1.5 CC1CCCNC1C SBB027556 [1,0,0,1,0,0|1,0,1]=4 369 B8R1.5 CC1NCCNC1=O SBB080100 [1,0,0,1,0,0|2,0,0]=4 370 B8R1.5 CC1SCCNC1=O SBB111924 [1,0,0,1,0,0|2,0,0]=4 371 B8R1.5 NC1CCCNC1=O SBB012739 [1,0,0,1,0,0|2,0,0]=4 372 B8R1.5 O=C1CCCCC1Cl SBB061548 [1,0,0,1,0,0|1,0,0]=3 373 B8R1.8 C=CCC1CCCC1 SBB008872 [1,0,0,1,0,0|0,0,1]=3 374 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [1,0,0,1,0,0|2,0,0]=4 375 B8R1.8 NCCC1CCCC1 SBB072011 [1,0,0,1,0,0|1,0,1]=4 376 B8R1.8 O=C=NC1CCCC1 SBB046723 [1,0,0,1,0,0|1,0,1]=4 377 B8R1.8 OCCC1CCCC1 SBB008459 [1,0,0,1,0,0|0,0,2]=4 378 B8R1.11 CN1CCCC1CO SBB108833 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.22 CN1CCCNCC1 SBB056191 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.22 NC1CCCCCC1 SBB004311 [1,0,0,1,0,0|1,0,1]=4 381 B8R1.22 O=C1CCCCCC1 SBB060075 [1,0,0,1,0,0|0,0,0]=2 382 B8R1.22 O=C1CCCCCN1 SBB058658 [1,0,0,1,0,0|1,0,0]=3 383 B8R1.22 O=C1CCNCCN1 SBB056241 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.22 OC1CCCCCC1 SBB061138 [1,0,0,1,0,0|0,0,2]=4 385 B8R1.36 CCCNCC1CC1 SBB042821 [1,0,0,1,0,0|1,0,1]=4 386 B8R1.49 C1=CCCCCCC1 SBB059890 [1,0,0,1,0,0|0,0,1]=3 387 B8R1.49 C1CCCNCCC1 SBB059854 [1,0,0,1,0,0|1,0,0]=3 388 B8R1.1 CCC1COC(=O)O1 SBB008625 [1,0,0,1,0,0|2,0,0]=4 389 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [1,0,0,1,0,0|2,0,0]=4 390 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [1,0,0,1,0,0|2,0,0]=4 391 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [1,0,0,1,0,0|0,0,2]=4 392 B8R1.4 CC1CCCC(C)C1 SBB061164 [1,0,0,1,0,0|1,0,1]=4 393 B8R1.4 CC1CCCC(C)N1 SBB004313 [1,0,0,1,0,0|1,0,1]=4 394 B8R1.4 CC1CCCC(O)C1 SBB061310 [1,0,0,1,0,0|0,0,2]=4 395 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [1,0,0,1,0,0|1,0,1]=4 396 B8R1.7 N=C(N)C1CCCC1 SBB056275 [1,0,0,1,0,0|2,0,0]=4 397 B8R1.7 NC(=O)C1CCCN1 SBB004067 [1,0,0,1,0,0|2,0,0]=4 398 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.7 O=C(O)C1CCCC1 SBB065782 [1,0,0,1,0,0|1,0,0]=3 400 B8R1.7 O=C(O)C1CCCO1 SBB004298 [1,0,0,1,0,0|2,0,0]=4 401 B8R1.7 O=C(O)C1CCNC1 SBB053378 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.7 O=C(O)C1CCNC1 SBB069272 [1,0,0,1,0,0|2,0,0]=4 403 B8R1.7 O=C(O)C1CCOC1 SBB053083 [1,0,0,1,0,0|2,0,0]=4 404 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [1,0,0,1,0,0|2,0,0]=4 405 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [1,0,0,1,0,0|2,0,0]=4 406 B8R1.34 O=C(O)CC1CCC1 SBB050298 [1,0,0,1,0,0|1,0,0]=3 407 B8R1.72 CC1(O)CCCCC1 SBB061165 [1,0,0,1,0,0|0,0,2]=4 408 B10R1.13 CC(=O)N1CCC(=O)CC1 SBB040812 [0,1,0,1,0,0|1,0,1]=4 409 B10R1.13 CC(C)C1CCC(O)CC1 SBB008023 [0,1,0,1,0,0|1,0,1]=4 410 B10R1.13 CC1CCC(C(=O)O)CC1 SBB065950 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.13 CC1CCC(C(C)C)CC1 SBB008406 [0,1,0,1,0,0|1,0,1]=4 412 B10R1.13 CN1CCC(C(=O)O)CC1 SBB025225 [0,1,0,1,0,0|2,0,0]=4 413 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SBB028269 [0,1,0,1,0,0|1,0,0]=3 414 B10R1.13 O=C(O)C1CCC(O)CC1 SBB007787 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.13 O=C1CCC(C(=O)O)CC1 SBB053428 [0,1,0,1,0,0|1,0,1]=4 416 B10R1.31 OC(=O)[C@H]1CSC(CC)N1 SBB017044 [0,1,0,1,0,0|2,0,0]=4 417 B10R1.10 CCCC1CCOC(C)S1 SBB058540 [0,1,0,1,0,0|0,1,1]=4 418 B10R1.10 CCCC1OCCC(C)O1 SBB060972 [0,1,0,1,0,0|0,0,2]=4 419 B10R1.10 CNCC1CCCN(C)C1 SBB086259 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [0,1,0,1,0,0|0,0,0]=2 421 B10R1.18 CC(=O)CN1CCOCC1 SBB046376 [0,1,0,1,0,0|1,0,0]=3 422 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [0,1,0,1,0,0|0,0,0]=2 423 B10R1.18 CC(=O)NC1CCCNC1 SBB047941 [0,1,0,1,0,0|1,0,0]=3 424 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [0,1,0,1,0,0|0,0,0]=2 425 B10R1.18 CC(C)NC1CCCCC1 SBB048030 [0,1,0,1,0,0|1,0,1]=4 426 B10R1.18 CC(N)CN1CCCCC1 SBB020278 [0,1,0,1,0,0|1,0,1]=4 427 B10R1.18 CC(O)CN1CCCCC1 SBB056526 [0,1,0,1,0,0|0,0,2]=4 428 B10R1.18 CN(C)CC1CCCNC1 SBB085432 [0,1,0,1,0,0|2,0,0]=4 429 B10R1.18 NC(=O)CN1CCOCC1 SBB086344 [0,1,0,1,0,0|2,0,0]=4 430 B10R1.18 NC(=O)NC1CCCCC1 SBB028268 [0,1,0,1,0,0|1,0,0]=3 431 B10R1.18 NC(=S)NC1CCCCC1 SBB017662 [0,1,0,1,0,0|1,1,0]=4 432 B10R1.18 O=C(Cl)CC1CCOCC1 SBB053661 [0,1,0,1,0,0|1,0,0]=3 433 B10R1.18 O=C(O)CC1=CCCCC1 SBB008386 [0,1,0,1,0,0|1,0,1]=4 434 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [0,1,0,1,0,0|1,0,0]=3 435 B10R1.18 O=C(O)CC1CCCCN1 SBB010294 [0,1,0,1,0,0|1,0,0]=3 436 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [0,1,0,1,0,0|1,0,0]=3 437 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [0,1,0,1,0,0|1,0,0]=3 438 B10R1.18 O=C(O)CC1CNCCN1 SBB053343 [0,1,0,1,0,0|2,0,0]=4 439 B10R1.18 O=C(O)CC1CNCCO1 SBB050892 [0,1,0,1,0,0|2,0,0]=4 440 B10R1.18 O=C(O)CN1CCCCC1 SBB014040 [0,1,0,1,0,0|1,0,0]=3 441 B10R1.18 O=C(O)CN1CCNCC1 SBB010118 [0,1,0,1,0,0|2,0,0]=4 442 B10R1.18 O=C(O)CN1CCOCC1 SBB010303 [0,1,0,1,0,0|2,0,0]=4 443 B10R1.39 CCN1CCCC1C(=O)O SBB046601 [0,1,0,1,0,0|1,0,0]=3 444 B10R1.61 CC(=O)C1CCCCC1=O SBB056190 [0,1,0,1,0,0|0,0,1]=3 445 B10R1.61 CN1CCCCC1C(=O)O SBB018690 [0,1,0,1,0,0|1,0,0]=3 446 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [0,1,0,1,0,0|0,0,0]=2 447 B10R1.66 CC(O)CCC1CCCO1 SBB001585 [0,1,0,1,0,0|0,0,2]=4 448 B10R1.66 O=C(Cl)CCC1CCCC1 SBB058619 [0,1,0,1,0,0|1,0,0]=3 449 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [0,1,0,1,0,0|1,0,0]=3 450 B10R1.66 O=C(O)CCC1CCCO1 SBB014220 [0,1,0,1,0,0|1,0,0]=3 451 B10R1.66 O=C(O)CCN1CCCC1 SBB046363 [0,1,0,1,0,0|1,0,0]=3 452 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,1,0,1,0,0|0,0,0]=2 453 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [0,1,0,1,0,0|1,0,0]=3 454 B10R1.28 O=S(=O)(Cl)C1CCCCC1 SBB027257 [0,1,0,1,0,0|2,0,0]=4 455 B10R1.95 CCNC1CCS(=O)(=O)C1 SBB041274 [0,1,0,1,0,0|2,0,0]=4 456 B10R1.1 CCCC1CCC(=O)CC1 SBB008421 [0,1,0,1,0,0|0,0,0]=2 457 B10R1.1 CCCC1CCC(O)CC1 SBB055278 [0,1,0,1,0,0|0,0,2]=4 458 B10R1.15 CCC(C)C1CCCCC1 SBB061319 [0,1,0,1,0,0|1,0,1]=4 459 B10R1.15 CNC(=O)C1CCNCC1 SBB056097 [0,1,0,1,0,0|1,0,0]=3 460 B10R1.15 CNC(=S)N1CCCCC1 SBB003988 [0,1,0,1,0,0|1,1,0]=4 461 B10R1.15 COC(=O)C1=CCCCC1 SBB008621 [0,1,0,1,0,0|0,0,2]=4 462 B10R1.15 COC(=O)C1CC=CCC1 SBB007742 [0,1,0,1,0,0|0,0,2]=4 463 B10R1.15 COC(=O)C1CCCCC1 SBB008423 [0,1,0,1,0,0|0,0,0]=2 464 B10R1.15 COC(=O)C1CCCCN1 SBB079224 [0,1,0,1,0,0|1,0,0]=3 465 B10R1.15 COC(=O)C1CCNCC1 SBB054004 [0,1,0,1,0,0|1,0,0]=3 466 B10R1.15 COC(=O)C1CCNCC1 SBB079418 [0,1,0,1,0,0|1,0,0]=3 467 B10R1.15 NCC(=O)N1CCOCC1 SBB086345 [0,1,0,1,0,0|2,0,0]=4 468 B10R1.15 NNC(=O)C1CCCCC1 SBB000089 [0,1,0,1,0,0|1,0,0]=3 469 B10R1.15 N\C(=N\O)C1CCCCC1 SBB079156 [0,1,0,1,0,0|1,0,1]=4 470 B10R1.15 O=C(CBr)N1CCCCC1 SBB051006 [0,1,0,1,0,0|1,0,0]=3 471 B10R1.15 O=C(CBr)N1CCOCC1 SBB051005 [0,1,0,1,0,0|2,0,0]=4 472 B10R1.15 O=C(CCl)N1CCCCC1 SBB072651 [0,1,0,1,0,0|1,0,0]=3 473 B10R1.15 O=C(CCl)N1CCOCC1 SBB005580 [0,1,0,1,0,0|2,0,0]=4 474 B10R1.27 COC(=O)CC1CCCO1 SBB014349 [0,1,0,1,0,0|1,0,0]=3 475 B10R1.27 O=C(CBr)NC1CCCC1 SBB080105 [0,1,0,1,0,0|1,0,0]=3 476 B10R1.27 O=C(CCl)NC1CCCC1 SBB042522 [0,1,0,1,0,0|1,0,0]=3 477 B10R1.27 O=C(CCl)OC1CCCC1 SBB060738 [0,1,0,1,0,0|1,0,0]=3 478 B10R1.161 COC1=CCCCCCC1 SBB008525 [0,1,0,1,0,0|1,0,0]=3 479 B10R1.161 O=CC1CCCCCCC1 SBB059655 [0,1,0,1,0,0|0,0,1]=3 480 B10R1.161 OCC1CCCCCCC1 SBB051438 [0,1,0,1,0,0|0,0,2]=4 481 B10R1.113 CC1CCCC(C(=O)O)N1 SBB080591 [0,1,0,1,0,0|1,0,0]=3 482 B10R1.113 CN1CCCC(C(=O)O)C1 SBB003754 [0,1,0,1,0,0|2,0,0]=4 483 B10R1.113 CN1CCCC(C(=O)O)C1 SBB085537 [0,1,0,1,0,0|2,0,0]=4 484 B10R1.363 CC(=O)C1(N)CCCCC1 SBB013031 [0,1,0,1,0,0|0,0,0]=2 485 B10R1.363 CC1(C(=O)O)CCCCC1 SBB053456 [0,1,0,1,0,0|1,0,0]=3 486 B10R1.363 NC1(C(=O)O)CCCCC1 SBB003752 [0,1,0,1,0,0|1,0,0]=3 487 B10R1.363 NC1(C(=O)O)CCCCC1 SBB028270 [0,1,0,1,0,0|1,0,0]=3 488 B10R1.363 NC1(C(=O)O)CCOCC1 SBB027210 [0,1,0,1,0,0|2,0,0]=4 489 B10R1.363 O=C(O)C1(F)CCCCC1 SBB053441 [0,1,0,1,0,0|1,0,0]=3 490 B10R1.363 O=C(O)C1(O)CCCCC1 SBB047861 [0,1,0,1,0,0|1,0,0]=3 491 B10R2.62 O=C1CN2CCC1CC2 SBB056219 [0,0,0,2,0,0|1,0,0]=3 492 B10R2.62 O=C1CN2CCC1CC2 SBB080572 [0,0,0,2,0,0|1,0,0]=3 493 B10R2.99 CCC1CC2CCC1C2 SBB060621 [0,0,0,2,0,0|1,0,1]=4