0 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC Amb8516633 [0,0,0,0,0,0|0,0,0]=0 1 B18R0.171 C=CC(=O)OCCCCCCCCCCCCCC Amb24325453 [1,0,0,0,0,0|1,0,2]=4 2 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN Amb6366503 [1,0,0,0,0,0|2,0,0]=3 3 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC Amb4380184 [1,0,0,0,0,0|0,0,0]=1 4 B18R0.171 CCCCCC\C=C/CCCCCCCC(=O)OC Amb22263078 [1,0,0,0,0,0|0,0,2]=3 5 B18R0.171 NNC(=O)CCCCCCCCCCCCCCO Amb1778664 [1,0,0,0,0,0|3,0,0]=4 6 B18R0.221 C=COCCCCCCCCCCCCCCCC Amb4008342 [1,0,0,0,0,0|0,0,3]=4 7 B18R0.221 CCCCCCCCCCCCCCCCCCBr Amb6366438 [1,0,0,0,0,0|2,0,1]=4 8 B18R0.221 CCCCCCCCCCCCCCCCCCCl Amb6641641 [1,0,0,0,0,0|2,0,1]=4 9 B18R0.221 CCCCCCCCCCCCCCCCCCI Amb2720795 [1,0,0,0,0,0|2,0,1]=4 10 B18R0.221 CCCCCCCCCCCCCCCCCCN Amb6364761 [1,0,0,0,0,0|2,0,1]=4 11 B18R0.221 CCCCCCCCCCCCCCCCCCO Amb8396381 [1,0,0,0,0,0|2,0,1]=4 12 B18R0.221 CCCCCCCCCCCCCCCCCCS Amb8516241 [1,0,0,0,0,0|2,0,1]=4 13 B18R0.221 CCCCCCCCCCCCCCCCSCC Amb9787603 [1,0,0,0,0,0|0,1,1]=3 14 B18R0.221 CCCCCCCCCCCCCCC\C=C\C=O Amb17618788 [1,0,0,0,0,0|2,0,1]=4 15 B18R0.221 CCCCCCCCCCCCCCC\C=C\CO Amb24053094 [1,0,0,0,0,0|2,0,0]=3 16 B18R0.221 CCCCCCCCCNCCCCCCCCC Amb15740839 [1,0,0,0,0,0|2,0,1]=4 17 B18R0.221 CCCCCCCCCNCCCCCCCCC Amb2687654 [1,0,0,0,0,0|2,0,1]=4 18 B18R0.221 CCCCCCCCCSCCCCCCCCC Amb6366450 [1,0,0,0,0,0|2,0,1]=4 19 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC Amb21618906 [0,1,0,0,0,0|0,0,0]=1 20 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCCl Amb32414073 [0,1,0,0,0,0|1,0,0]=2 21 B20R0.2931 CCCCCCCCCCCCCCCC(=O)OC(C)C Amb22045162 [0,1,0,0,0,0|0,0,0]=1 22 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCO Amb4466837 [0,1,0,0,0,0|1,0,0]=2 23 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCCCl Amb9787360 [0,1,0,0,0,0|0,0,0]=1 24 B20R0.32083 CCCCCCCCCCCCCCCC(=O)SCCO Amb34912916 [0,1,0,0,0,0|0,1,0]=2 25 B17R0.117 CCCCCCCCCCCCCCCCCBr Amb6366528 [2,0,0,0,0,0|1,0,1]=4 26 B17R0.117 CCCCCCCCCCCCCCCCCN Amb17674227 [2,0,0,0,0,0|1,0,1]=4 27 B17R0.117 CCCCCCCCCCCCCCCCCO Amb8514599 [2,0,0,0,0,0|1,0,1]=4 28 B17R0.117 CCCCCCCCCCCCCCCCNC Amb9787069 [2,0,0,0,0,0|1,0,1]=4 29 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr Amb22047393 [2,0,0,0,0,0|1,0,0]=3 30 B17R0.195 CCCCCCCCCCCCCCC(=O)OC Amb7092017 [2,0,0,0,0,0|0,0,0]=2 31 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb20622600 [2,0,0,0,0,0|1,0,0]=3 32 B17R0.195 CCCCCCCCCCNCCCC(=O)OC Amb22157193 [2,0,0,0,0,0|1,0,0]=3 33 B17R0.250 CCCCCCCCCCCCCC(=O)OCC Amb8517581 [2,0,0,0,0,0|0,0,0]=2 34 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O Amb22642012 [2,0,0,0,0,0|0,0,2]=4 35 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl Amb8515345 [2,0,0,0,0,0|1,0,0]=3 36 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb2708781 [2,0,0,0,0,0|0,0,0]=2 37 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb32414662 [2,0,0,0,0,0|0,0,0]=2 38 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb34915028 [2,0,0,0,0,0|0,0,0]=2 39 B17R0.43 CCCCCCCCCCCCCCCC(N)=O Amb9787492 [2,0,0,0,0,0|1,0,0]=3 40 B17R0.43 CCCCCCCCCCCCCCCN(C)C Amb33840036 [2,0,0,0,0,0|2,0,0]=4 41 B17R0.43 CCCCCCCCCCCCCCOC(C)=O Amb9787312 [2,0,0,0,0,0|1,0,0]=3 42 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [2,0,0,0,0,0|1,0,0]=3 43 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O Amb21928725 [2,0,0,0,0,0|0,0,2]=4 44 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [2,0,0,0,0,0|1,0,0]=3 45 B17R0.43 CCCCCCCC\C=C\CCCCCC(=O)O Amb31031047 [2,0,0,0,0,0|0,0,2]=4 46 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O Amb33723687 [2,0,0,0,0,0|0,0,2]=4 47 B17R0.43 NCCCCCCCCCCCCCCC(=O)O Amb33624987 [2,0,0,0,0,0|1,0,0]=3 48 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr Amb16231526 [2,0,0,0,0,0|1,0,0]=3 49 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC Amb9825438 [1,1,0,0,0,0|0,0,0]=2 50 B19R0.148 CCCCCC\C=C/CCCCCCCCC(=O)OC Amb22352444 [1,1,0,0,0,0|0,0,1]=3 51 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr Amb10071547 [1,1,0,0,0,0|0,0,0]=2 52 B19R0.153 CCCCCCCCCCCCCCCC(=O)N(C)C Amb33986305 [1,1,0,0,0,0|1,0,0]=3 53 B19R0.36 CCCCCCCCCCCCCCCCCCCN Amb22729932 [1,1,0,0,0,0|1,0,1]=4 54 B19R0.36 CCCCCCCCCCCCCCCCCCCO Amb9828837 [1,1,0,0,0,0|1,0,1]=4 55 B19R0.36 CCCCCCCCCCCCCCCCCCNC Amb6456605 [1,1,0,0,0,0|1,0,1]=4 56 B19R0.36 CCCCCCCCCCCCCCCCNCCO Amb9787073 [1,1,0,0,0,0|1,0,1]=4 57 B19R0.36 CCCCCCCCCCCCCCCC[NH2+]CCO Amb9787076 [1,1,0,0,0,0|1,0,1]=4 58 B19R0.149 CCCCCCCCCCCCCCCCCC(C)N Amb21953726 [1,1,0,0,0,0|1,0,1]=4 59 B19R0.149 CCCCCCCCCCCCCCCCOC(C)=O Amb9787518 [1,1,0,0,0,0|0,0,2]=4 60 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC Amb17672567 [0,2,0,0,0,0|0,0,2]=4 61 B21R0.2907 C=COC(=O)CCCCCCC\C=C\CCCCCCCC Amb17672569 [0,2,0,0,0,0|0,0,2]=4 62 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCC Amb7092042 [0,2,0,0,0,0|1,0,0]=3 63 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC Amb9787597 [0,2,0,0,0,0|0,0,0]=2 64 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCI Amb32413738 [0,2,0,0,0,0|1,0,0]=3 65 B21R0.2907 CCCCCCCC\C=C/CCCCCCCC(=O)OCC Amb8515780 [0,2,0,0,0,0|0,0,0]=2 66 B21R0.2907 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC Amb8628520 [0,2,0,0,0,0|0,0,2]=4 67 B21R0.2907 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC Amb4379311 [0,2,0,0,0,0|0,0,2]=4 68 B21R0.36405 CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O Amb32667692 [0,2,0,0,0,0|2,0,0]=4 69 B21R0.2971 CCCCCCCCCCCCCCCC(=O)OCCCC Amb22040073 [0,2,0,0,0,0|0,0,0]=2 70 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)O Amb4466188 [0,2,0,0,0,0|1,0,1]=4