0 B16R0.221 CCCCCCCCCCCCCC(=O)NN PH003665 [0,0,0,0,0,0|2,0,0]=2 1 B16R0.221 CCCCCCCCCCCCCC(N)CO R738093 [0,0,0,0,0,0|3,0,1]=4 2 B16R0.221 CCCCCCCCCCCCNC(=O)CC R343285 [0,0,0,0,0,0|2,0,0]=2 3 B16R0.221 CCCCCCCCCCCCNC(=O)CCl S383287 [0,0,0,0,0,0|3,0,0]=3 4 B16R0.221 CCCCCCCCCCCCOC(=O)CBr PH003659 [0,0,0,0,0,0|3,0,0]=3 5 B16R0.221 CCCCCCCCCCCCOC(=O)CN PH014175 [0,0,0,0,0,0|3,0,0]=3 6 B16R0.221 CCCCCCCCCCCCOC(=O)CS S559288 [0,0,0,0,0,0|3,0,0]=3 7 B15R0.70 CCCCCCCCCCCCCC[Hg]Br S835137 [1,0,0,0,0,0|2,0,1]=4 8 B15R0.70 CCCCCCCCCCCCCC[Hg]Cl S572527 [1,0,0,0,0,0|2,0,1]=4 9 B15R0.81 CCCCCCCCCCCNC(=O)CCl S382140 [1,0,0,0,0,0|3,0,0]=4 10 B15R0.164 CCCC/C=C\CCCCCCOC(=O)C R751197 [1,0,0,0,0,0|1,0,2]=4 11 B15R0.164 CCCCCCCCCCC/C=C/C(=O)C PH008562 [1,0,0,0,0,0|0,0,2]=3 12 B15R0.164 CCCCCCCCCCCCOC(=O)N PH007036 [1,0,0,0,0,0|2,0,0]=3 13 B15R0.164 CCCCCCCCCCCNCC(C)O L305669 [1,0,0,0,0,0|1,0,2]=4 14 B15R0.164 CCCCCCCCCCSCCC(=O)O R397288 [1,0,0,0,0,0|1,0,0]=2 15 B17R0.195 C=CC(=O)OCCCCCCCCCCCCC CDS010544 [0,1,0,0,0,0|1,0,1]=3 16 B17R0.195 CCCCCCCCCCCCCNC(=O)CCl S383457 [0,1,0,0,0,0|2,0,0]=3 17 B17R0.250 CCCCCCCCCCCCCC(=O)CCC S543926 [0,1,0,0,0,0|1,0,0]=2 18 B17R0.250 CCCCCCCCCCCCCC(=O)NCC R425567 [0,1,0,0,0,0|1,0,0]=2 19 B17R0.250 CCCCCCCCCCCCNC(=O)CCC R343277 [0,1,0,0,0,0|2,0,0]=3 20 B17R0.250 CCCCCCCCCCCCOC(=O)CCS S600423 [0,1,0,0,0,0|2,0,0]=3 21 B17R0.3217 CCCCCCCCCCCCS/C(=N/C)/NC PH012215 [0,1,0,0,0,0|3,0,0]=4 22 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C S347388 [0,1,0,0,0,0|1,0,0]=2 23 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C R343676 [0,1,0,0,0,0|2,0,0]=3 24 B17R0.14363 CCC(=O)CCCCCCCCCCCC(=O)O S875120 [0,1,0,0,0,0|2,0,1]=4 25 B17R0.14367 CCCCCCCCCCCCCS(=O)(=O)OC R582530 [0,1,0,0,0,0|1,0,0]=2 26 B17R1.444 O=C1CCCCCCCCCCCCCC1O S566039 [0,0,0,1,0,0|2,0,0]=3 27 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 CDS000484 [0,0,0,1,0,0|1,0,2]=4 28 B17R1.23822 COC(=O)C1CCCCCCCCCCC1O T288837 [0,0,0,1,0,0|1,0,0]=2 29 B14R0.392 CCCCCCCCCCCCCC#N S566004 [2,0,0,0,0,0|1,0,1]=4 30 B14R0.392 CCCCCCCCCCCOCCO CDS018221 [2,0,0,0,0,0|1,0,1]=4 31 B14R0.392 CCCCCCCOCCCCCCC S565717 [2,0,0,0,0,0|1,0,1]=4 32 B14R0.392 CCCCCCCSCCCCCCC S413135 [2,0,0,0,0,0|1,0,1]=4 33 B14R0.337 CCCCCCCCCCCC(=O)CC S543985 [2,0,0,0,0,0|1,0,0]=3 34 B14R0.394 CC(=O)NCCCCCCCCCCN S236241 [2,0,0,0,0,0|2,0,0]=4 35 B14R0.394 CCCCCCCCCCCCC(=N)N PH011812 [2,0,0,0,0,0|2,0,0]=4 36 B14R0.394 CCCCCCCCCCCCC(=O)N S563005 [2,0,0,0,0,0|1,0,0]=3 37 B14R0.394 N#CCCCCCCCCCCC(=O)O R277878 [2,0,0,0,0,0|1,0,1]=4 38 B16R0.303 CCCCCCCCCCCCCC#CCO PH007957 [1,1,0,0,0,0|1,0,1]=4 39 B16R0.303 CCCCCCCCCCCCNCCCC PH008445 [1,1,0,0,0,0|1,0,1]=4 40 B16R0.303 CCCCCCCCCCCCSCCCC S840947 [1,1,0,0,0,0|1,0,1]=4 41 B16R0.661 CCCCCCCCCCCC(O)CCCC S543896 [1,1,0,0,0,0|1,0,1]=4 42 B16R0.164 COC(=O)CCCCCCCCCC(=O)OC S571350 [1,1,0,0,0,0|1,0,1]=4 43 B16R0.1188 CCCCCCCCCCCCNP(=O)(O)O PH012137 [1,1,0,0,0,0|2,0,0]=4 44 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O CDS001542 [1,1,0,0,0,0|2,0,0]=4 45 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)C S672564 [1,1,0,0,0,0|2,0,0]=4 46 B18R0.110 CCCCCCCCCCCCSCC(=O)OCC S578029 [0,2,0,0,0,0|0,0,0]=2 47 B18R0.171 CCCCCCCCCCCCCCCC(=O)CC S540188 [0,2,0,0,0,0|1,0,0]=3 48 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN S628476 [0,2,0,0,0,0|2,0,0]=4 49 B18R0.171 CCCCCCCCCCCCCCNC(=O)CCl S383708 [0,2,0,0,0,0|2,0,0]=4 50 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC PH005282 [0,2,0,0,0,0|0,0,0]=2 51 B18R0.220 CCCCCCCCCCCCCC(=O)NC(=O)N S821071 [0,2,0,0,0,0|1,0,1]=4 52 B18R0.3155 CCCCCCCCCCCCCC(=O)CCCC S540218 [0,2,0,0,0,0|1,0,0]=3 53 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCC R467529 [0,2,0,0,0,0|1,0,0]=3 54 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCO R548340 [0,2,0,0,0,0|1,0,0]=3 55 B18R0.3155 CCCCCCCCCCCCOC(=O)CCCN T160423 [0,2,0,0,0,0|2,0,0]=4 56 B18R0.3155 CCCCCCCCCCCCOC(=O)CCCN T288969 [0,2,0,0,0,0|2,0,0]=4 57 B18R0.3048 CCCCCCCCCCCCNC(=O)C(C)(C)C R344281 [0,2,0,0,0,0|2,0,0]=4 58 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 R395730 [1,0,0,1,0,0|0,0,0]=2 59 B18R1.101472 O=C1CCCCCCCCCCC(=O)CCCC1 T270261 [0,1,0,1,0,0|1,0,1]=4 60 B18R1.101472 O=C1CCCCCCCCCCC(=O)OCCO1 S703443 [0,1,0,1,0,0|1,0,1]=4 61 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 CDS009933 [0,1,0,1,0,0|0,0,0]=2 62 B18R1.28810 CCOC(=O)C1CCCCCCCCCCC1=O T190098 [0,1,0,1,0,0|1,0,1]=4 63 B18R1.265533 COC(=O)NCCCCCN1C(CCCC1C)C PH013066 [0,1,0,1,0,0|2,0,0]=4