0 B16R0.274 CCCCCCCC/C=C/CCCOC(=O)C CDS011407 [0,0,0,0,0,0|2,0,2]=4 1 B16R0.274 CCCCCCCCCCCC=NNC(=O)C S903272 [0,0,0,0,0,0|3,0,1]=4 2 B16R0.274 CCCCCCCCCCCCCCB(O)O S831565 [0,0,0,0,0,0|1,0,1]=2 3 B16R0.274 CCCCCCCCCCCCCCC(=N)N PH012197 [0,0,0,0,0,0|2,0,0]=2 4 B16R0.274 CCCCCCCCCCCCOCC(=O)O S233773 [0,0,0,0,0,0|1,0,0]=1 5 B16R0.274 CCCCCCCCCCCCSCC(=O)O S233471 [0,0,0,0,0,0|1,0,0]=1 6 B15R0.70 C=CCOCCCCCCCCCCCC PH008626 [1,0,0,0,0,0|2,0,0]=3 7 B15R0.70 CCCCCCCCCCCCCC[Hg]Br S835137 [1,0,0,0,0,0|2,0,0]=3 8 B15R0.70 CCCCCCCCCCCCCC[Hg]Cl S572527 [1,0,0,0,0,0|2,0,0]=3 9 B15R0.164 CCCCCCCCCCC/C=C/C(=O)C PH008562 [1,0,0,0,0,0|1,0,2]=4 10 B15R0.164 CCCCCCCCCCCCOC(=O)N PH007036 [1,0,0,0,0,0|2,0,0]=3 11 B15R0.164 CCCCCCCCCCCNCC(C)O L305669 [1,0,0,0,0,0|2,0,1]=4 12 B15R0.164 CCCCCCCCCCSCCC(=O)O R397288 [1,0,0,0,0,0|1,0,0]=2 13 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O CDS000103 [0,1,0,0,0,0|0,0,1]=2 14 B17R0.43 CCCCCCCCCCCCCCCC(=O)C S762911 [0,1,0,0,0,0|1,0,0]=2 15 B17R0.43 CCCCCCCCCCCCCCCC(=O)O S833266 [0,1,0,0,0,0|0,0,0]=1 16 B17R0.43 CCCCCCCCCCCCCCNC(=O)N S811866 [0,1,0,0,0,0|1,0,0]=2 17 B17R0.43 CCCCCCCCCCCCSCCC(=O)N S28291 [0,1,0,0,0,0|1,0,0]=2 18 B17R0.43 CCCCCCCCCCCCSCCC(=O)N S43193 [0,1,0,0,0,0|1,0,0]=2 19 B17R0.43 CCCCCCCCCCCCSCCC(=O)O S537306 [0,1,0,0,0,0|0,0,0]=1 20 B17R0.43 CCCCCCCCSCCCCCCC(=O)O R395536 [0,1,0,0,0,0|0,0,0]=1 21 B17R0.43 CCCCSCCCCCCCCCCC(=O)O S537659 [0,1,0,0,0,0|0,0,0]=1 22 B17R0.195 C=CC(=O)OCCCCCCCCCCCCC CDS010544 [0,1,0,0,0,0|2,0,0]=3 23 B17R0.195 CCCCCCCCCCCCCCC(N)CO R737488 [0,1,0,0,0,0|1,0,1]=3 24 B17R0.195 CCCCCCCCCCCCCNC(=O)CCl S383457 [0,1,0,0,0,0|2,0,0]=3 25 B17R0.197 CCCCCCCCCCCCSCC(C)(C)O S568163 [0,1,0,0,0,0|2,0,1]=4 26 B17R0.1713 NC(=O)CCCCCCCCCCCCC(=O)N PH005511 [0,1,0,0,0,0|2,0,1]=4 27 B17R0.14363 CCC(=O)CCCCCCCCCCCC(=O)O S875120 [0,1,0,0,0,0|0,0,1]=2 28 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 CDS000484 [0,0,0,1,0,0|1,0,2]=4 29 B17R1.29093 CCCCCCCCCCCCOCC1CO1 S413658 [0,0,0,1,0,0|2,0,1]=4 30 B14R0.392 CCCCCCCCCCCCCC#N S566004 [2,0,0,0,0,0|1,0,1]=4 31 B14R0.392 CCCCCCCCCCCOCCO CDS018221 [2,0,0,0,0,0|1,0,0]=3 32 B14R0.392 CCCCCCCOCCCCCCC S565717 [2,0,0,0,0,0|1,0,1]=4 33 B14R0.392 CCCCCCCSCCCCCCC S413135 [2,0,0,0,0,0|1,0,1]=4 34 B14R0.394 CCCCCCCCCCCCC(=N)N PH011812 [2,0,0,0,0,0|2,0,0]=4 35 B14R0.394 CCCCCCCCCCCCC(=O)N S563005 [2,0,0,0,0,0|1,0,0]=3 36 B14R0.394 N#CCCCCCCCCCCC(=O)O R277878 [2,0,0,0,0,0|1,0,1]=4 37 B16R0.61 CCCCCCCCCCCCS(=O)CCO S540129 [1,1,0,0,0,0|1,0,1]=4 38 B16R0.221 CCCCCCCCCCCCCC(N)CO R738093 [1,1,0,0,0,0|0,0,1]=3 39 B16R0.303 CCCCCCCCCCCCCC#CCO PH007957 [1,1,0,0,0,0|0,0,2]=4 40 B16R0.303 CCCCCCCCCCCCNCCCC PH008445 [1,1,0,0,0,0|1,0,1]=4 41 B16R0.303 CCCCCCCCCCCCNCCCN PH000051 [1,1,0,0,0,0|1,0,1]=4 42 B16R0.303 CCCCCCCCCCCCOCCC#N S383473 [1,1,0,0,0,0|1,0,1]=4 43 B16R0.303 CCCCCCCCCCCCOCCCN S392081 [1,1,0,0,0,0|1,0,1]=4 44 B16R0.303 CCCCCCCCCCCCSCCC#N PH006177 [1,1,0,0,0,0|1,0,1]=4 45 B16R0.303 CCCCCCCCCCCCSCCCC S840947 [1,1,0,0,0,0|1,0,1]=4 46 B16R0.303 CCCCCCCCCCCCSCCCCl S840939 [1,1,0,0,0,0|1,0,1]=4 47 B16R0.303 CCCCCCCCCCCCSCCCN S403563 [1,1,0,0,0,0|1,0,1]=4 48 B16R0.303 CCCCCCCCCCCCSCCCO S572314 [1,1,0,0,0,0|0,0,1]=3 49 B16R0.661 C(=O)NCC(O)CCCCCCCCCCC S307998 [1,1,0,0,0,0|1,0,0]=3 50 B16R0.661 CCCCCCCCCCCC(O)CCCC S543896 [1,1,0,0,0,0|1,0,1]=4 51 B16R0.1188 CCCCCCCCCCCCNP(=O)(O)O PH012137 [1,1,0,0,0,0|2,0,0]=4 52 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O CDS001542 [1,1,0,0,0,0|2,0,0]=4 53 B18R0.171 CCCCCCCCCCCCCCCC(=O)CC S540188 [0,2,0,0,0,0|1,0,0]=3 54 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN S628476 [0,2,0,0,0,0|1,0,0]=3 55 B18R0.171 CCCCCCCCCCCCCCNC(=O)CCl S383708 [0,2,0,0,0,0|1,0,0]=3 56 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC PH005282 [0,2,0,0,0,0|0,0,0]=2 57 B18R0.174 CCCCCCCCCCCCCCC(C)C(=O)O PH010298 [0,2,0,0,0,0|0,0,0]=2 58 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] R580686 [0,2,0,0,0,0|0,0,1]=3 59 B18R0.176 CCCCCCCCCCCCSCCCC(=O)O S233501 [0,2,0,0,0,0|0,0,0]=2 60 B18R0.176 CCCCCCCCCCCCSCCCC(=O)O S605379 [0,2,0,0,0,0|0,0,0]=2 61 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)C S672580 [0,2,0,0,0,0|1,0,1]=4 62 B18R0.220 CCCCCCCCCCCCCC(=O)NC(=O)N S821071 [0,2,0,0,0,0|1,0,1]=4 63 B18R0.17430 C=CCCCCCCCCC(=O)CCCCC(=O)O S870471 [0,2,0,0,0,0|0,0,2]=4 64 B18R0.110 CCCCCCCCCCCCSCC(=O)OCC S578029 [0,2,0,0,0,0|1,0,0]=3 65 B18R0.6329 CS(=O)(=O)OCCCCCCCCCCCC(=O)O S84159 [0,2,0,0,0,0|2,0,0]=4 66 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 R395730 [1,0,0,1,0,0|1,0,0]=3 67 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 CDS009933 [0,1,0,1,0,0|0,0,0]=2 68 B18R1.101472 O=C1CCCCCCCCCCC(=O)CCCC1 T270261 [0,1,0,1,0,0|1,0,1]=4 69 B18R1.101472 O=C1CCCCCCCCCCC(=O)OCCO1 S703443 [0,1,0,1,0,0|1,0,1]=4