0 B14R0.337 C=CC(=O)OCCCCCCCCCC CS-0320686 [0,0,0,0,0,0|2,0,1]=3 1 B14R0.337 CCCCCCCCCCCC(=O)NC CS-0207165 [0,0,0,0,0,0|1,0,0]=1 2 B14R0.337 CCCCCCCCCCCC(=O)NN CS-0315851 [0,0,0,0,0,0|2,0,0]=2 3 B14R0.337 CCCCCCCCCCCC(=O)OC CS-W004286 [0,0,0,0,0,0|0,0,0]=0 4 B14R0.337 CCCCCCCCCCCC(=O)O[K] CS-0198015 [0,0,0,0,0,0|1,0,0]=1 5 B14R0.337 COC(=O)CCCCCCCCCCBr CS-0109940 [0,0,0,0,0,0|1,0,0]=1 6 B14R0.337 COC(=O)CCCCCCCCCCN CS-0129049 [0,0,0,0,0,0|1,0,0]=1 7 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [1,0,0,0,0,0|0,0,2]=3 8 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [1,0,0,0,0,0|0,0,0]=1 9 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [1,0,0,0,0,0|0,0,1]=2 10 B13R0.54 CCCCCCCCCCCC(C)=O CS-W010527 [1,0,0,0,0,0|0,0,0]=1 11 B13R0.54 CCCCCCCCCCCC(N)=O CS-0206349 [1,0,0,0,0,0|1,0,0]=2 12 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [1,0,0,0,0,0|1,0,0]=2 13 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [1,0,0,0,0,0|0,0,2]=3 14 B13R0.54 CCCCCC\C=C/CCCC(=O)O CS-0144620 [1,0,0,0,0,0|0,0,2]=3 15 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [1,0,0,0,0,0|1,0,0]=2 16 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [1,0,0,0,0,0|1,0,0]=2 17 B13R0.147 C=CCCCCCCCCC(=O)OC CS-0068709 [1,0,0,0,0,0|0,0,2]=3 18 B13R0.147 C=CCCCCCCCCC(=O)O[Na] CS-0185683 [1,0,0,0,0,0|1,0,2]=4 19 B13R0.147 CCCCCCCCCCC(=O)OC CS-W004285 [1,0,0,0,0,0|0,0,0]=1 20 B13R0.147 COC(=O)CCCCCCCCCBr CS-0129053 [1,0,0,0,0,0|1,0,0]=2 21 B13R0.336 CCCCCCCCCCCCCBr CS-0168435 [1,0,0,0,0,0|2,0,1]=4 22 B13R0.336 CCCCCCCCCCCCCC CS-0146758 [1,0,0,0,0,0|1,0,1]=3 23 B13R0.336 CCCCCCCCCCCCCO CS-W004293 [1,0,0,0,0,0|2,0,1]=4 24 B13R0.336 CCCCCCCCCCCCNC CS-0152183 [1,0,0,0,0,0|1,0,1]=3 25 B13R0.336 CCCCCCCCCCCCSC CS-0316057 [1,0,0,0,0,0|0,1,1]=3 26 B15R0.81 CCCCCCCCCCCCC(=O)OC CS-W004287 [0,1,0,0,0,0|0,0,0]=1 27 B15R0.81 COC(=O)CCCCCCCCCCCBr CS-0129051 [0,1,0,0,0,0|0,0,0]=1 28 B15R0.81 COC(=O)CCCCCCCCCCCN CS-0129041 [0,1,0,0,0,0|0,0,0]=1 29 B15R0.172 COC(=O)CCCCCCCCC(=O)OC CS-W014182 [0,1,0,0,0,0|1,0,1]=3 30 B15R0.247 COC(=O)CCCCCCCCCC(=O)O CS-0150693 [0,1,0,0,0,0|1,0,1]=3 31 B15R0.366 CCCCCCCCCCCC(=O)OCC CS-W010400 [0,1,0,0,0,0|0,0,0]=1 32 B15R0.366 CCOC(=O)CCCCCCCCCCBr CS-W014552 [0,1,0,0,0,0|1,0,0]=2 33 B12R0.5 C=CCCCCCCCCCCBr CS-W005954 [2,0,0,0,0,0|1,0,1]=4 34 B12R0.5 C=CCCCCCCCCCCC CS-0186370 [2,0,0,0,0,0|0,0,1]=3 35 B12R0.5 CCCCCCCCCCCCC CS-0128437 [2,0,0,0,0,0|0,0,1]=3 36 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [2,0,0,0,0,0|1,0,1]=4 37 B12R0.5 CCCCCCCCCCCCI CS-0197229 [2,0,0,0,0,0|1,0,1]=4 38 B12R0.5 CCCCCCCCCCCCN CS-0013582 [2,0,0,0,0,0|1,0,1]=4 39 B12R0.5 CCCCCCCCCCCCN CS-0152187 [2,0,0,0,0,0|1,0,1]=4 40 B12R0.5 CCCCCCCCCCCCO CS-D1360 [2,0,0,0,0,0|0,0,1]=3 41 B12R0.5 CCCCCCNCCCCCC CS-W016942 [2,0,0,0,0,0|1,0,1]=4 42 B12R0.5 CCOCCCCCCCCCO CS-B0285 [2,0,0,0,0,0|1,0,1]=4 43 B12R0.5 OCCCCCCCCCCCBr CS-W014623 [2,0,0,0,0,0|1,0,1]=4 44 B12R0.5 OCCCCCCCCCCCO CS-W005218 [2,0,0,0,0,0|1,0,1]=4 45 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [2,0,0,0,0,0|0,0,2]=4 46 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [2,0,0,0,0,0|0,0,2]=4 47 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [2,0,0,0,0,0|0,0,0]=2 48 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [2,0,0,0,0,0|1,0,0]=3 49 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [2,0,0,0,0,0|1,0,0]=3 50 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [2,0,0,0,0,0|1,0,0]=3 51 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [2,0,0,0,0,0|1,0,0]=3 52 B12R0.248 C=CCCCCCCCC(=O)OC CS-0197689 [2,0,0,0,0,0|0,0,2]=4 53 B12R0.248 CCCCCCCCCC(=O)NN CS-0318324 [2,0,0,0,0,0|2,0,0]=4 54 B12R0.248 CCCCCCCCCC(=O)OC CS-W016888 [2,0,0,0,0,0|0,0,0]=2 55 B12R0.248 CCCCCCCCCC(=O)O[Na] CS-0034995 [2,0,0,0,0,0|1,0,0]=3 56 B12R0.248 COC(=O)CCCCCCCCBr CS-0129031 [2,0,0,0,0,0|1,0,0]=3 57 B12R0.248 COC(=O)CCCCCCCCO CS-W016785 [2,0,0,0,0,0|1,0,0]=3 58 B14R0.68 O=C(O)CCCCCCCCCC(=O)O CS-W014841 [1,1,0,0,0,0|1,0,1]=4 59 B14R0.305 COC(=O)CCCCCCCCC(=O)O CS-0206512 [1,1,0,0,0,0|1,0,1]=4 60 B14R0.340 CCCCCCCCCCC(N)C(=O)O CS-0152253 [1,1,0,0,0,0|0,0,0]=2 61 B14R0.394 C=CCCCCCCCCCCC(=O)O CS-0644145 [1,1,0,0,0,0|0,0,1]=3 62 B14R0.394 CCCCCCCCCCCCB(O)O CS-0175075 [1,1,0,0,0,0|1,0,1]=4 63 B14R0.394 CCCCCCCCCCCCC(=O)O CS-D1510 [1,1,0,0,0,0|0,0,0]=2 64 B14R0.394 CCCCCCCCCCCCC(C)=O CS-0149221 [1,1,0,0,0,0|0,0,0]=2 65 B14R0.394 CCCCCCCCCCCCS(C)=O CS-W010351 [1,1,0,0,0,0|1,0,0]=3 66 B14R0.394 O=C(O)CCCCCCCCCCCBr CS-0158383 [1,1,0,0,0,0|0,0,0]=2 67 B14R0.197 COC(=O)CCCCCCCC(=O)OC CS-0198986 [1,1,0,0,0,0|1,0,1]=4 68 B14R0.393 CCCCCCCCCCC(=O)OCC CS-W014923 [1,1,0,0,0,0|0,0,0]=2 69 B14R0.393 CCOC(=O)CCCCCCCCCBr CS-0001454 [1,1,0,0,0,0|1,0,0]=3 70 B14R0.2056 CCCCCCCCCCS(=O)(=O)O[Na] CS-W010261 [1,1,0,0,0,0|2,0,0]=4 71 B14R0.392 CCCCCCCCCCCCCCBr CS-W012307 [1,1,0,0,0,0|1,0,1]=4 72 B14R0.392 CCCCCCCCCCCCCCC CS-0138815 [1,1,0,0,0,0|1,0,1]=4 73 B14R0.392 CCCCCCCCCCCCCCCl CS-W009494 [1,1,0,0,0,0|1,0,1]=4 74 B14R0.392 CCCCCCCCCCCCCCO CS-W004294 [1,1,0,0,0,0|1,0,1]=4 75 B16R0.61 CCCCCCCCCCCCC(=O)OCC CS-0185671 [0,2,0,0,0,0|0,0,0]=2 76 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O CS-0150692 [0,2,0,0,0,0|0,0,1]=3 77 B16R0.221 C=CC(=O)NCCCCCCCCCCCC CS-0167914 [0,2,0,0,0,0|1,0,1]=4 78 B16R0.221 CCCCCCCCCCCCCC(=O)OC CS-W004288 [0,2,0,0,0,0|0,0,0]=2 79 B16R0.221 CCCCCCCCCCCCCC(=O)O[K] CS-0198057 [0,2,0,0,0,0|1,0,0]=3 80 B16R0.221 CCCCCCCCCCCCCC(=O)O[Na] CS-0185812 [0,2,0,0,0,0|1,0,0]=3 81 B16R0.3292 CCCCCCCCCCCCS(=O)(=O)O[Na] CS-0148398 [0,2,0,0,0,0|2,0,0]=4 82 B16R0.3292 CCCCCCCCCCCCS(=O)(=O)O[Na] CS-W010092 [0,2,0,0,0,0|2,0,0]=4 83 B16R0.97 CCOC(=O)CCCCCCCC(=O)OCC CS-0162516 [0,2,0,0,0,0|1,0,1]=4 84 B16R0.661 CCCCCCCCCCCC(=O)NCCO CS-W022897 [0,2,0,0,0,0|1,0,0]=3 85 B16R0.661 CCCCCCCCCCCC(=O)OCCC CS-W002270 [0,2,0,0,0,0|0,0,0]=2 86 B14R1.26 CCCCCCCC1CCCC(=O)O1 CS-W010531 [1,0,0,1,0,0|0,0,0]=2 87 B14R1.122 CCCCCCCCC1CCC(=O)O1 CS-0320646 [1,0,0,1,0,0|0,0,0]=2 88 B14R1.4408 O=C1CCCCCCCCCCCN1 CS-0313348 [1,0,0,1,0,0|1,0,0]=3 89 B14R1.14 CCCCCCCC1CCC(=O)CC1 CS-0162601 [1,0,0,1,0,0|1,0,0]=3