0 B16R0.303 CCCCCCCCCCCCCC#CCO PH007957 [0,0,0,0,0,0|0,0,4]=4 1 B16R0.303 CCCCCCCCCCCCNCCCC PH008445 [0,0,0,0,0,0|2,0,1]=3 2 B16R0.303 CCCCCCCCCCCCNCCCN PH000051 [0,0,0,0,0,0|2,0,1]=3 3 B16R0.303 CCCCCCCCCCCCOCCC#N S383473 [0,0,0,0,0,0|2,0,1]=3 4 B16R0.303 CCCCCCCCCCCCOCCCN S392081 [0,0,0,0,0,0|2,0,1]=3 5 B16R0.303 CCCCCCCCCCCCSCCC#N PH006177 [0,0,0,0,0,0|2,0,1]=3 6 B16R0.303 CCCCCCCCCCCCSCCCC S840947 [0,0,0,0,0,0|2,0,1]=3 7 B16R0.303 CCCCCCCCCCCCSCCCCl S840939 [0,0,0,0,0,0|2,0,1]=3 8 B16R0.303 CCCCCCCCCCCCSCCCN S403563 [0,0,0,0,0,0|2,0,1]=3 9 B16R0.303 CCCCCCCCCCCCSCCCO S572314 [0,0,0,0,0,0|1,0,2]=3 10 B15R0.70 C=CCOCCCCCCCCCCCC PH008626 [1,0,0,0,0,0|1,0,1]=3 11 B15R0.70 CCCCCCCCCCCCCC[Hg]Br S835137 [1,0,0,0,0,0|2,0,0]=3 12 B15R0.70 CCCCCCCCCCCCCC[Hg]Cl S572527 [1,0,0,0,0,0|2,0,0]=3 13 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O CDS000103 [0,1,0,0,0,0|0,0,2]=3 14 B17R0.43 CCCCCCCCCCCCCCCC(=O)C S762911 [0,1,0,0,0,0|0,0,0]=1 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|1,0,0]=2 20 B17R0.43 CCCCCCCCSCCCCCCC(=O)O R395536 [0,1,0,0,0,0|1,0,0]=2 21 B17R0.43 CCCCSCCCCCCCCCCC(=O)O S537659 [0,1,0,0,0,0|1,0,0]=2 22 B17R0.104 CCCCCCCCS(=O)CCCCCCCC R172634 [0,1,0,0,0,0|2,0,1]=4 23 B17R0.104 CCCCCCCC[Sn](=O)CCCCCCCC S512613 [0,1,0,0,0,0|2,0,1]=4 24 B17R0.117 CCCCCCCCCCCCCCCCNC S595799 [0,1,0,0,0,0|1,0,1]=3 25 B17R0.117 CCCCCCCCCCCCCCCC[Hg]Br S835145 [0,1,0,0,0,0|1,0,1]=3 26 B17R0.117 CCCCCCCCCCCCCCNCCN PH000759 [0,1,0,0,0,0|1,0,1]=3 27 B17R0.195 C=CC(=O)OCCCCCCCCCCCCC CDS010544 [0,1,0,0,0,0|2,0,1]=4 28 B17R0.195 CCCCCCCCCCCCCCC(N)CO R737488 [0,1,0,0,0,0|0,0,2]=3 29 B17R0.250 CCCCCCCCCCCCCC(=O)CCC S543926 [0,1,0,0,0,0|1,0,2]=4 30 B17R0.3110 CCCCCCCCCCCC(=O)CCCCC S544108 [0,1,0,0,0,0|1,0,2]=4 31 B17R0.8809 CCCCCCCCCC(=O)CCCCCCC S544124 [0,1,0,0,0,0|1,0,2]=4 32 B17R0.12412 CCCCCCCCCCC(=O)CCCCCC S544116 [0,1,0,0,0,0|1,0,2]=4 33 B17R1.444 O=C1CCCCCCCCCCCCCC1O S566039 [0,0,0,1,0,0|1,0,0]=2 34 B17R1.1425 CCCCCCCCCCCCN1CCCC1 R787868 [0,0,0,1,0,0|2,0,1]=4 35 B17R1.1425 CCCCCCCCCCCCN1CCCC1 S236276 [0,0,0,1,0,0|2,0,1]=4 36 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 CDS000484 [0,0,0,1,0,0|0,0,2]=3 37 B17R1.29093 CCCCCCCCCCCCOCC1CO1 S413658 [0,0,0,1,0,0|1,0,2]=4 38 B14R0.392 CCCCCCCCCCCCCC#N S566004 [2,0,0,0,0,0|1,0,1]=4 39 B14R0.392 CCCCCCCCCCCOCCO CDS018221 [2,0,0,0,0,0|1,0,1]=4 40 B14R0.392 CCCCCCCOCCCCCCC S565717 [2,0,0,0,0,0|1,0,0]=3 41 B14R0.392 CCCCCCCSCCCCCCC S413135 [2,0,0,0,0,0|1,0,0]=3 42 B14R0.392 CCOCCCCCCCCCOCC S842664 [2,0,0,0,0,0|2,0,0]=4 43 B16R0.61 CCCCCCCCCCCCS(=O)CCO S540129 [1,1,0,0,0,0|1,0,1]=4 44 B16R0.221 CCCCCCCCCCCCCC(N)CO R738093 [1,1,0,0,0,0|0,0,1]=3 45 B16R0.274 CCCCCCCCCCCCCCB(O)O S831565 [1,1,0,0,0,0|1,0,1]=4 46 B16R0.274 CCCCCCCCCCCCCCC(=N)N PH012197 [1,1,0,0,0,0|1,0,0]=3 47 B16R0.274 CCCCCCCCCCCCOCC(=O)O S233773 [1,1,0,0,0,0|1,0,0]=3 48 B16R0.274 CCCCCCCCCCCCSCC(=O)O S233471 [1,1,0,0,0,0|1,0,0]=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|0,0,1]=3 51 B16R0.6603 CCCCCCCCCC(=O)CCCCCC S544086 [1,1,0,0,0,0|0,0,2]=4 52 B18R0.171 CCCCCCCCCCCCCCCC(=O)CC S540188 [0,2,0,0,0,0|0,0,0]=2 53 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN S628476 [0,2,0,0,0,0|0,0,0]=2 54 B18R0.171 CCCCCCCCCCCCCCNC(=O)CCl S383708 [0,2,0,0,0,0|1,0,0]=3 55 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC PH005282 [0,2,0,0,0,0|1,0,0]=3 56 B18R0.174 CCCCCCCCCCCCCCC(C)C(=O)O PH010298 [0,2,0,0,0,0|0,0,0]=2 57 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] R580686 [0,2,0,0,0,0|0,0,0]=2 58 B18R0.176 CCCCCCCCCCCCSCCCC(=O)O S233501 [0,2,0,0,0,0|0,0,0]=2 59 B18R0.176 CCCCCCCCCCCCSCCCC(=O)O S605379 [0,2,0,0,0,0|0,0,0]=2 60 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)C S672580 [0,2,0,0,0,0|2,0,0]=4 61 B18R0.220 CCCCCCCCCCCCCC(=O)NC(=O)N S821071 [0,2,0,0,0,0|1,0,1]=4 62 B18R0.11621 CCCCCCCCCC(=O)CCCCCCCC S540250 [0,2,0,0,0,0|1,0,1]=4 63 B18R0.221 C=COCCCCCCCCCCCCCCCC S399736 [0,2,0,0,0,0|1,0,0]=3 64 B18R0.221 CCCCCCCCCCCCCCCCCCN R580139 [0,2,0,0,0,0|1,0,1]=4 65 B18R0.221 CCCCCCCCCCCCCCCCCCN S825921 [0,2,0,0,0,0|1,0,1]=4 66 B18R0.221 CCCCCCCCCCCCCCCCCCN S825948 [0,2,0,0,0,0|1,0,1]=4 67 B18R0.221 CCCCCCCCCCCCCCCCCCN S825999 [0,2,0,0,0,0|1,0,1]=4 68 B18R0.221 CCCCCCCCCCCCCCCCCCN S826979 [0,2,0,0,0,0|1,0,1]=4 69 B18R0.221 CCCCCCCCCCCCCCCCCCN S826995 [0,2,0,0,0,0|1,0,1]=4 70 B18R0.221 CCCCCCCCCCCCCCCCCCN S827029 [0,2,0,0,0,0|1,0,1]=4 71 B18R0.221 CCCCCCCCCCCCCCCCCCN S827037 [0,2,0,0,0,0|1,0,1]=4 72 B18R0.221 CCCCCCCCCCCCCCCCCCN S833215 [0,2,0,0,0,0|1,0,1]=4 73 B18R0.221 CCCCCCCCCCCCCCCCCCN S833223 [0,2,0,0,0,0|1,0,1]=4 74 B18R0.221 CCCCCCCCCCCCCCCCCCN S833258 [0,2,0,0,0,0|1,0,1]=4 75 B18R0.221 CCCCCCCCCCCCCCNCCCN PH003653 [0,2,0,0,0,0|1,0,1]=4 76 B18R0.221 CCCCCCCCCCCCOCCOCCN S383910 [0,2,0,0,0,0|1,0,1]=4 77 B18R0.221 CCCCCCCCCSCCCCCCCCC S570281 [0,2,0,0,0,0|1,0,1]=4 78 B18R0.3155 CCCCCCCCCCCCCC(=O)CCCC S540218 [0,2,0,0,0,0|1,0,1]=4 79 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 CDS009933 [0,1,0,1,0,0|1,0,0]=3 80 B18R1.1261 CCCCCCCCCCCCN1CCCCC1 S983586 [0,1,0,1,0,0|1,0,1]=4 81 B18R1.101472 O=C1CCCCCCCCCCC(=O)CCCC1 T270261 [0,1,0,1,0,0|0,0,1]=3 82 B18R1.28810 CCOC(=O)C1CCCCCCCCCCC1=O T190098 [0,1,0,1,0,0|1,0,1]=4