0 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] R580686 [0,0,0,0,0,0|1,0,1]=2 1 B18R0.176 CCCCCCCCCCCCSCCCC(=O)O S233501 [0,0,0,0,0,0|2,0,0]=2 2 B18R0.176 CCCCCCCCCCCCSCCCC(=O)O S605379 [0,0,0,0,0,0|2,0,0]=2 3 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O CDS000103 [1,0,0,0,0,0|0,0,2]=3 4 B17R0.43 CCCCCCCCCCCCCCCC(=O)C S762911 [1,0,0,0,0,0|1,0,0]=2 5 B17R0.43 CCCCCCCCCCCCCCCC(=O)O S833266 [1,0,0,0,0,0|0,0,0]=1 6 B17R0.43 CCCCCCCCCCCCCCNC(=O)N S811866 [1,0,0,0,0,0|2,0,0]=3 7 B17R0.43 CCCCCCCCCCCCSCCC(=O)N S28291 [1,0,0,0,0,0|2,0,0]=3 8 B17R0.43 CCCCCCCCCCCCSCCC(=O)N S43193 [1,0,0,0,0,0|2,0,0]=3 9 B17R0.43 CCCCCCCCCCCCSCCC(=O)O S537306 [1,0,0,0,0,0|1,0,0]=2 10 B17R0.43 CCCCCCCCSCCCCCCC(=O)O R395536 [1,0,0,0,0,0|1,0,0]=2 11 B17R0.43 CCCCSCCCCCCCCCCC(=O)O S537659 [1,0,0,0,0,0|1,0,0]=2 12 B17R0.117 CCCCCCCCCCCCCCCCNC S595799 [1,0,0,0,0,0|3,0,0]=4 13 B17R0.117 CCCCCCCCCCCCCCCC[Hg]Br S835145 [1,0,0,0,0,0|3,0,0]=4 14 B19R0.35 CCCCCCCCCCCCCCC(C)NC(=O)C S27155 [0,1,0,0,0,0|3,0,0]=4 15 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O CDS003411 [0,1,0,0,0,0|1,0,1]=3 16 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O CDS003412 [0,1,0,0,0,0|1,0,0]=2 17 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S825972 [0,1,0,0,0,0|1,0,0]=2 18 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S825980 [0,1,0,0,0,0|1,0,0]=2 19 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CDS003888 [0,1,0,0,0,0|1,0,1]=3 20 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] S836826 [0,1,0,0,0,0|1,0,1]=3 21 B19R0.149 CCCCCCCCCCCCCCCCCC(=S)N S553670 [0,1,0,0,0,0|2,1,0]=4 22 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O S454699 [0,1,0,0,0,0|2,0,1]=4 23 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)N S810681 [0,1,0,0,0,0|2,0,0]=3 24 B19R0.149 CCCCCCCCCCCCCCCCSC(=O)C S387207 [0,1,0,0,0,0|2,0,0]=3 25 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)O CDS007442 [0,1,0,0,0,0|2,0,1]=4 26 B19R0.157 CCCCCCCCCCCCOC(=O)CCC(=O)O S568503 [0,1,0,0,0,0|2,0,1]=4 27 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(C)C S254150 [0,1,0,0,0,0|3,0,0]=4 28 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] S605018 [0,1,0,0,0,0|2,0,1]=4 29 B19R0.23236 C=CCCCCCCCCC(=O)CCCCCC(=O)O S870706 [0,1,0,0,0,0|1,0,2]=4 30 B16R0.274 CCCCCCCCCCCCCCB(O)O S831565 [2,0,0,0,0,0|1,0,1]=4 31 B16R0.274 CCCCCCCCCCCCCCC(=N)N PH012197 [2,0,0,0,0,0|2,0,0]=4 32 B16R0.274 CCCCCCCCCCCCOCC(=O)O S233773 [2,0,0,0,0,0|1,0,0]=3 33 B16R0.274 CCCCCCCCCCCCSCC(=O)O S233471 [2,0,0,0,0,0|1,0,0]=3 34 B16R0.303 CCCCCCCCCCCCSCCCO S572314 [2,0,0,0,0,0|1,0,1]=4 35 B18R0.171 CCCCCCCCCCCCCCCC(=O)CC S540188 [1,1,0,0,0,0|1,0,0]=3 36 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN S628476 [1,1,0,0,0,0|1,0,0]=3 37 B18R0.171 CCCCCCCCCCCCCCNC(=O)CCl S383708 [1,1,0,0,0,0|2,0,0]=4 38 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC PH005282 [1,1,0,0,0,0|1,0,0]=3 39 B18R0.174 CCCCCCCCCCCCCCC(C)C(=O)O PH010298 [1,1,0,0,0,0|0,0,0]=2 40 B18R0.221 C=COCCCCCCCCCCCCCCCC S399736 [1,1,0,0,0,0|2,0,0]=4 41 B20R0.20160 O=C(O)CCCCCCCCC(=O)CCCCCC(=O)O S872733 [0,2,0,0,0,0|0,0,2]=4 42 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC CDS000284 [0,2,0,0,0,0|1,0,0]=3 43 B20R0.39 CCCCCCCCCCCCCCCCS(=O)CCO S540269 [0,2,0,0,0,0|2,0,0]=4 44 B20R0.3034 CCCCCCCC/C=C/CCCCCCCC(=O)NO PH011209 [0,2,0,0,0,0|1,0,1]=4 45 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)CC S573000 [0,2,0,0,0,0|2,0,0]=4 46 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O S415863 [0,2,0,0,0,0|1,0,0]=3 47 B20R0.32990 CCCCCC(=O)CCCCCCCCCCCC(=O)O S874922 [0,2,0,0,0,0|1,0,0]=3 48 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 CDS009933 [1,0,0,1,0,0|1,0,0]=3 49 B20R1.66772 CCCCCCCC/C=C/C1CCCCCCC(=O)O1 S722138 [0,1,0,1,0,0|1,0,1]=4