0 B16R0.68 CCCCCC(=O)CCCCCCCCCC Amb22043407 [0,0,0,0,0,0|1,0,2]=3 1 B16R0.68 CCCCNC(=O)CCCCCCCCC#C Amb1815661 [0,0,0,0,0,0|1,0,2]=3 2 B16R0.68 CCCCOC(=O)CCCCCCCCC=C Amb22002480 [0,0,0,0,0,0|0,0,0]=0 3 B15R0.70 CCCCCCCCCCCCCCC=O Amb16233570 [1,0,0,0,0,0|2,0,1]=4 4 B15R0.322 CCCCCC(=O)CCCCCCCCC Amb22359716 [1,0,0,0,0,0|1,0,1]=3 5 B15R0.322 CCCCCC(=O)OCCCCCCCC Amb22731822 [1,0,0,0,0,0|2,0,1]=4 6 B15R0.322 CCCCCCCCCC(=O)OCCCC Amb22337724 [1,0,0,0,0,0|0,0,1]=2 7 B15R0.322 CCCCNC(=O)CNCCCCCCC Amb19969099 [1,0,0,0,0,0|2,0,1]=4 8 B15R0.322 CCCCOC(=O)\C=C\CCCCCCC Amb22732854 [1,0,0,0,0,0|0,0,3]=4 9 B15R0.2002 C=CCCCCCCCCC(=O)OCC=C Amb17933941 [1,0,0,0,0,0|0,0,2]=3 10 B17R0.3110 CCCCCC(=O)CCCCCCCCCCC Amb22359717 [0,1,0,0,0,0|1,0,2]=4 11 B17R0.6195 CCCCOC(=O)CCC(=O)CCCCCCC Amb23934796 [0,1,0,0,0,0|0,0,3]=4 12 B17R0.6195 CCCCOC(=O)CCC(O)CCCCCCC Amb23935033 [0,1,0,0,0,0|0,0,2]=3 13 B17R0.12412 CCCCCCCCCCC(=O)CCCCCC Amb22359718 [0,1,0,0,0,0|1,0,2]=4 14 B17R0.12415 CCCCCCCCCCC(=O)OCC(O)CO Amb21928907 [0,1,0,0,0,0|1,0,2]=4 15 B17R1.1854 CCCCOC(=O)CCSCC1CCCCN1 Amb22395628 [0,0,0,1,0,0|2,0,1]=4 16 B17R1.1854 CCCCOC(=O)CCSCC1CNCCC1 Amb22395607 [0,0,0,1,0,0|2,0,1]=4 17 B17R1.1884 CCCCOC(=O)CNCC1CCCC1CO Amb24014285 [0,0,0,1,0,0|2,0,1]=4 18 B17R1.3711 CCCCOC(=O)CN1CCCCC1CNC Amb23965926 [0,0,0,1,0,0|2,0,1]=4 19 B17R1.11298 O=C1CCCCCCCCCCCCCCC1 Amb23453288 [0,0,0,1,0,0|1,0,2]=4 20 B14R0.392 CCCCCCCCCCCCOC=C Amb22168063 [2,0,0,0,0,0|1,0,1]=4 21 B14R0.392 CCCC\C=C/CCCCCCCC=O Amb22732145 [2,0,0,0,0,0|1,0,1]=4 22 B14R0.392 CCCC\C=C/CCCCCCCCO Amb24053303 [2,0,0,0,0,0|2,0,0]=4 23 B14R0.179 CCCCCCCCC(=O)CCCCC Amb10565428 [2,0,0,0,0,0|1,0,0]=3 24 B14R0.179 CCCCCCCOC(=O)CCCCC Amb22734288 [2,0,0,0,0,0|2,0,0]=4 25 B14R0.493 CCCCCCCCCC(=O)OCCC Amb22043408 [2,0,0,0,0,0|0,0,1]=3 26 B14R0.393 C=CCCCCCCCCC(=O)OC=C Amb17672568 [2,0,0,0,0,0|0,0,2]=4 27 B14R0.393 C=CCCCCCCCCC(=O)OCC Amb16193236 [2,0,0,0,0,0|0,0,0]=2 28 B14R0.393 CCOC(=O)CCCCCCCCCBr Amb21945748 [2,0,0,0,0,0|1,0,1]=4 29 B16R0.274 CCCC\C=C/CCCCCCCCC(O)=O Amb21929003 [1,1,0,0,0,0|2,0,0]=4 30 B16R0.274 CCCC\C=C\CCCCCCCCC(O)=O Amb21929004 [1,1,0,0,0,0|2,0,0]=4 31 B16R0.303 CCCCC\C=C\CCCCCCCCC=O Amb22055379 [1,1,0,0,0,0|2,0,0]=4 32 B16R0.303 CCCC\C=C/CCCCCCCCCC=O Amb10807576 [1,1,0,0,0,0|1,0,1]=4 33 B16R0.303 CCCC\C=C/CCCCCCCCOC=O Amb22740028 [1,1,0,0,0,0|2,0,0]=4 34 B16R0.297 CCCCCCCCCC(=O)OCCC(C)C Amb22730704 [1,1,0,0,0,0|0,0,1]=3 35 B16R0.6606 CCCCCCCCCC(=O)OCC(O)CO Amb21928893 [1,1,0,0,0,0|1,0,1]=4 36 B18R0.233 CCCCCCCCCCCC(=O)OCCC(C)C Amb22045851 [0,2,0,0,0,0|0,0,2]=4 37 B18R0.127 CCCCCOC(=O)CCCCCCCC[N+]([O-])=O Amb22364343 [0,2,0,0,0,0|2,0,0]=4 38 B18R0.3204 OC(=O)CCCCCCCCC(=O)OCC(O)CO Amb24326312 [0,2,0,0,0,0|2,0,0]=4 39 B18R0.7792 CCCCCOC(=O)CCCCCCCCCCC Amb22732111 [0,2,0,0,0,0|0,0,2]=4 40 B18R0.17430 CN(C)CCCOC(=O)CCCCCCCCC=C Amb22358887 [0,2,0,0,0,0|0,0,0]=2 41 B16R1.1711 CCCCOC(=O)CCSCC1CCCN1 Amb22395578 [1,0,0,1,0,0|2,0,0]=4 42 B18R1.1731 CCCCOC(=O)CCSCCC1CCCCN1 Amb22395649 [0,1,0,1,0,0|1,0,1]=4 43 B18R1.13791 O=C1CCCCCC=CCCCCCCCCO1 Amb22168166 [0,1,0,1,0,0|1,0,0]=3 44 B18R1.13791 O=C1CCCCCCCCOCCCCCCO1 Amb22489915 [0,1,0,1,0,0|0,0,2]=4 45 B18R1.1146 C=CCCCCCCCCC(=O)N1CCCCC1 Amb10574614 [0,1,0,1,0,0|1,0,0]=3 46 B18R1.156488 CC1COC(=O)CCCCCCCCC(=O)OC1 Amb1816607 [0,1,0,1,0,0|2,0,0]=4