0 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC TS67901 [0,0,0,0,0,0|0,0,0]=0 1 B16R0.68 CCCCOC(=O)CCCCCCCCC=C TS57435 [1,0,0,0,0,0|0,0,2]=3 2 B16R0.303 CCCCC#CCCCCCCCCCCO TS57149 [1,0,0,0,0,0|2,0,1]=4 3 B16R0.303 CCCCCCCCCCCCCCCCBr TS00418 [1,0,0,0,0,0|2,0,1]=4 4 B16R0.303 CCCCCCCCCCCCCCCCC TS26591 [1,0,0,0,0,0|1,0,1]=3 5 B16R0.303 CCCCCCCCCCCCCCCCC TS61610 [1,0,0,0,0,0|1,0,1]=3 6 B16R0.303 CCCCCCCCCCCCCCCCCl TS68440 [1,0,0,0,0,0|2,0,1]=4 7 B16R0.303 CCCCCCCCCCCCCCCCI TS64816 [1,0,0,0,0,0|2,0,1]=4 8 B16R0.303 CCCCCCCCCCCCCCCCN TS26730 [1,0,0,0,0,0|2,0,1]=4 9 B16R0.303 CCCCCCCCCCCCCCCCN TS29702 [1,0,0,0,0,0|2,0,1]=4 10 B16R0.303 CCCCCCCCCCCCCCCCO TS57773 [1,0,0,0,0,0|2,0,1]=4 11 B16R0.303 CCCCCCCCCCCCCCCCS TS29269 [1,0,0,0,0,0|2,0,1]=4 12 B16R0.303 CCCCCCCCCCCCNNCCC TS57777 [1,0,0,0,0,0|2,0,1]=4 13 B16R0.303 CCCCCCCCCCCCOCCCN TS27055 [1,0,0,0,0,0|1,0,1]=3 14 B16R0.303 CCCCCCCCNCCCCCCCC TS26728 [1,0,0,0,0,0|2,0,1]=4 15 B16R0.303 CCCCCCCCOCCCCCCCC TS57768 [1,0,0,0,0,0|2,0,1]=4 16 B16R0.303 CCCCCCCCSCCCCCCCC TS29270 [1,0,0,0,0,0|2,0,1]=4 17 B16R0.303 CCCCCCCC[Sn+2]CCCCCCCC TS82646 [1,0,0,0,0,0|2,0,1]=4 18 B16R0.661 CCCCCCCCCCCC(=O)NCCO TS27051 [1,0,0,0,0,0|2,0,0]=3 19 B16R0.661 CCCCCCCCCCCC(=O)OCC=C TS57444 [1,0,0,0,0,0|0,0,2]=3 20 B16R0.661 CCCCCCCCCCCC(=O)OCCC TS57760 [1,0,0,0,0,0|0,0,0]=1 21 B16R0.661 CCCCCCCCCCCC(=O)OCCCl TS68668 [1,0,0,0,0,0|1,0,0]=2 22 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)OCC TS74049 [0,1,0,0,0,0|2,0,1]=4 23 B18R0.233 CCCCCCCCCCCC(=O)OCCC(C)C TS30865 [0,1,0,0,0,0|0,0,0]=1 24 B18R0.7792 CCCCCCCCCCCC(=O)CCCCCC TS73803 [0,1,0,0,0,0|1,0,0]=2 25 B18R0.7792 CCCCCCCCCCCC(=O)NCCC[NH2]=O TS74649 [0,1,0,0,0,0|2,0,0]=3 26 B18R0.7792 CCCCCCCCCCCC(=O)OCCCCC TS30860 [0,1,0,0,0,0|0,0,0]=1 27 B18R0.7795 CCCCCCCCCCCC(=O)OCC(CO)O TS30951 [0,1,0,0,0,0|1,0,0]=2 28 B18R1.13791 C1CCCCC(=O)OCCCCCOCCCC1 TS28962 [0,0,0,1,0,0|1,0,0]=2 29 B18R1.13791 C1CCCCCCCC(=O)OCCCCCCC1 TS67636 [0,0,0,1,0,0|0,0,0]=1 30 B18R1.13791 C1CCCCCOCCCCOC(=O)CCCC1 TS28963 [0,0,0,1,0,0|1,0,0]=2 31 B18R1.13791 C1CCCCOCCCCCCOC(=O)CCC1 TS28960 [0,0,0,1,0,0|1,0,0]=2 32 B15R0.70 CCCCCCCCCCCCCCCBr TS58178 [2,0,0,0,0,0|1,0,1]=4 33 B15R0.70 CCCCCCCCCCCCCCCC TS24264 [2,0,0,0,0,0|0,0,1]=3 34 B15R0.70 CCCCCCCCCCCCCCCN TS24410 [2,0,0,0,0,0|1,0,1]=4 35 B15R0.70 CCCCCCCCCCCCCCCO TS24593 [2,0,0,0,0,0|1,0,1]=4 36 B15R0.70 CCCCCCCCCCCCCCCS TS62076 [2,0,0,0,0,0|1,0,1]=4 37 B15R0.70 CCCCCCCCCCCCCCSC TS62075 [2,0,0,0,0,0|1,0,1]=4 38 B15R0.70 CCCCCCCCCCCCOCCO TS24954 [2,0,0,0,0,0|1,0,1]=4 39 B15R0.70 CCCCNCCCCCCNCCCC TS24600 [2,0,0,0,0,0|2,0,0]=4 40 B15R0.322 CCCCCCCC=CC(=O)OCCCC TS52387 [2,0,0,0,0,0|0,0,2]=4 41 B15R0.322 CCCCCCCCCC(=O)CCCCC TS24256 [2,0,0,0,0,0|1,0,0]=3 42 B15R0.366 CCCCCCCCCCCC(=O)OC=C TS52399 [2,0,0,0,0,0|0,0,2]=4 43 B15R0.366 CCCCCCCCCCCC(=O)OCC TS52723 [2,0,0,0,0,0|0,0,0]=2 44 B15R0.366 CCCCCCCCCCCC(CCC)O TS24594 [2,0,0,0,0,0|0,0,2]=4 45 B15R0.366 CCCCCCCCCCOC(=O)CCC TS52719 [2,0,0,0,0,0|1,0,0]=3 46 B15R0.366 CCOC(=O)CCCCCCCCCCBr TS58376 [2,0,0,0,0,0|1,0,0]=3 47 B17R0.3196 CCCCOC(=O)CCCCC(=O)OCCCC TS29251 [1,1,0,0,0,0|1,0,1]=4 48 B17R0.43 CC(C)CCCCCCCCCCOCCCN TS29103 [1,1,0,0,0,0|1,0,1]=4 49 B17R0.43 CC(C)CCCCCCCCCCOCCC[NH3+] TS61353 [1,1,0,0,0,0|1,0,1]=4 50 B17R0.43 CCCCCCCCCCCCCCCC(C)C TS28689 [1,1,0,0,0,0|1,0,1]=4 51 B17R0.104 CCCCCCCCC(CCCCCCCC)O TS67916 [1,1,0,0,0,0|1,0,1]=4 52 B17R0.117 CCCCCCCCCCCCCCCCCBr TS61503 [1,1,0,0,0,0|1,0,1]=4 53 B17R0.117 CCCCCCCCCCCCCCCCCC TS28692 [1,1,0,0,0,0|1,0,1]=4 54 B17R0.117 CCCCCCCCCCCCCCCCCN TS67766 [1,1,0,0,0,0|1,0,1]=4 55 B17R0.117 CCCCCCCCCCCCCCCCCO TS67917 [1,1,0,0,0,0|1,0,1]=4 56 B17R0.117 CCCCCCCCCCCCCCCCCS TS74293 [1,1,0,0,0,0|1,0,1]=4 57 B17R0.117 CCCCCCCCCCCCCCCCC[Na] TS79456 [1,1,0,0,0,0|1,0,1]=4 58 B17R0.117 CCCCCCCCCCCCCCCCSC TS74292 [1,1,0,0,0,0|1,0,1]=4 59 B17R0.195 CCCCCCCCCCCCCCC(C)CC TS28691 [1,1,0,0,0,0|1,0,1]=4 60 B17R0.250 CCCCCCCCCCCCCC(CCC)O TS67919 [1,1,0,0,0,0|1,0,1]=4 61 B17R0.250 CCCCCCCCCCCCOC(=O)CCC TS67902 [1,1,0,0,0,0|0,0,2]=4 62 B17R0.192 CCCCCCCCCCCC(=O)OCC(C)C TS67898 [1,1,0,0,0,0|0,0,0]=2 63 B19R0.2964 CCCCCCCC(CCCC(=O)OCC(CO)O)O TS58107 [0,2,0,0,0,0|1,0,0]=3 64 B19R0.9213 CCCCCCCCCCCC(=O)OCCOCCO TS57960 [0,2,0,0,0,0|0,0,0]=2 65 B19R0.25648 CCCCCCCCCCCCCC(=O)OCCCC TS34777 [0,2,0,0,0,0|0,0,0]=2 66 B17R1.6363 CCCCOC1CCCCCCCCCCC1 TS26584 [1,0,0,1,0,0|1,0,1]=4 67 B17R1.11298 C1CCCCCCCC(=O)CCCCCCC1 TS56862 [1,0,0,1,0,0|1,0,0]=3 68 B17R1.11298 C1CCCCCCCOC(=O)CCCCCC1 TS57446 [1,0,0,1,0,0|0,0,0]=2 69 B17R1.1242 CCCCCCCCCCCC1CCCCC1 TS26265 [1,0,0,1,0,0|1,0,1]=4 70 B17R1.1425 CCCCCCCCCCCCC1CCCC1 TS84245 [1,0,0,1,0,0|1,0,1]=4 71 B17R1.29093 CCCCCCCCCCCCOCC1CO1 TS57756 [1,0,0,1,0,0|1,0,1]=4 72 B19R1.195866 C1CCCCCC(=O)OCCOC(=O)CCCCC1 TS30847 [0,1,0,1,0,0|1,0,1]=4