0 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 CS-0085751 [0,0,0,0,0,0|0,0,0]=0 1 B16R0.61 CCCCCCCCCCCCC(=O)OCC CS-0185671 [0,0,1,0,0,0|0,0,0]=1 2 B16R0.136 CCCCCCCCC(O)CCCCCCC CS-0754535 [0,0,1,0,0,0|1,0,2]=4 3 B16R0.221 C=CC(=O)NCCCCCCCCCCCC CS-0167914 [0,0,1,0,0,0|1,0,2]=4 4 B16R0.221 CCCCCCCCCCCCCC(=O)OC CS-W004288 [0,0,1,0,0,0|0,0,0]=1 5 B16R0.221 CCCCCCCCCCCCCC(=O)O[K] CS-0198057 [0,0,1,0,0,0|1,0,0]=2 6 B16R0.221 CCCCCCCCCCCCCC(=O)O[Na] CS-0185812 [0,0,1,0,0,0|1,0,0]=2 7 B16R0.221 CCCCCCCCCCCCCC(O)CC CS-0068715 [0,0,1,0,0,0|1,0,2]=4 8 B16R0.274 CCCCCCCCCCCCCCC(=O)O CS-W004283 [0,0,1,0,0,0|0,0,0]=1 9 B16R0.274 CCCCCCCCCCNCCCC(=O)O CS-0221806 [0,0,1,0,0,0|1,0,0]=2 10 B16R0.274 O=C(O)CCCCCCCCCCCCCBr CS-0091052 [0,0,1,0,0,0|1,0,0]=2 11 B16R0.274 O=C(O)CCCCCCCCCCCCCO CS-0161824 [0,0,1,0,0,0|1,0,0]=2 12 B16R0.303 CCCCCCCCCCCCCCCC=O CS-W004305 [0,0,1,0,0,0|1,0,0]=2 13 B16R0.303 CCCCCCCCCCCCCCCCBr CS-W009341 [0,0,1,0,0,0|2,0,1]=4 14 B16R0.303 CCCCCCCCCCCCCCCCCl CS-W012500 [0,0,1,0,0,0|2,0,1]=4 15 B16R0.303 CCCCCCCCCCCCCCCCI CS-0179397 [0,0,1,0,0,0|2,0,1]=4 16 B16R0.303 CCCCCCCCCCCCCCCCO CS-D1348 [0,0,1,0,0,0|1,0,1]=3 17 B16R0.303 CCCC\C=C/CCCCCCCCCC=O CS-0185735 [0,0,1,0,0,0|1,0,2]=4 18 B16R0.303 OCCCCCCCCCCCCCCCBr CS-0170814 [0,0,1,0,0,0|1,0,1]=3 19 B16R0.303 OCCCCCCCCCCCCCCCO CS-0110356 [0,0,1,0,0,0|0,0,2]=3 20 B16R0.661 CCCCCCCCCCCC(=O)NCCO CS-W022897 [0,0,1,0,0,0|2,0,0]=3 21 B16R0.661 CCCCCCCCCCCC(=O)OCCC CS-W002270 [0,0,1,0,0,0|0,0,0]=1 22 B16R0.6603 CCCCCCCCCC(=O)CCCCCC CS-0147096 [0,0,1,0,0,0|1,0,0]=2 23 B15R0.70 BrCCCCCCCCCCCCCCBr CS-0162836 [1,0,1,0,0,0|2,0,0]=4 24 B15R0.70 C=CCCCCCCCCCCCCCBr CS-0199725 [1,0,1,0,0,0|1,0,1]=4 25 B15R0.70 C=CCCCCCCCCCCCCCC CS-0158002 [1,0,1,0,0,0|1,0,0]=3 26 B15R0.70 CCCCCCCCCCCCCCCC CS-0152222 [1,0,1,0,0,0|1,0,1]=4 27 B15R0.70 CCCCCCCCCCCCCCCO CS-W004295 [1,0,1,0,0,0|0,0,1]=3 28 B15R0.70 CCCCCCCCNCCCCCCC CS-0147099 [1,0,1,0,0,0|1,0,1]=4 29 B15R0.70 OCCCCCCCCCCCCCCBr CS-0082396 [1,0,1,0,0,0|1,0,0]=3 30 B15R0.70 OCCCCCCCCCCCCCCO CS-W006457 [1,0,1,0,0,0|0,0,1]=3 31 B15R0.81 CCCCCCCCCCCCC(=O)OC CS-W004287 [1,0,1,0,0,0|0,0,0]=2 32 B15R0.81 COC(=O)CCCCCCCCCCCBr CS-0129051 [1,0,1,0,0,0|1,0,0]=3 33 B15R0.81 COC(=O)CCCCCCCCCCCN CS-0129041 [1,0,1,0,0,0|1,0,0]=3 34 B15R0.366 CCCCCCCCCCCC(=O)OCC CS-W010400 [1,0,1,0,0,0|0,0,0]=2 35 B15R0.366 CCOC(=O)CCCCCCCCCCBr CS-W014552 [1,0,1,0,0,0|1,0,0]=3 36 B15R0.133 CCCCCCCC(=O)CCCCCCC CS-0182624 [1,0,1,0,0,0|0,0,0]=2 37 B15R0.133 CCCCCCCC(O)CCCCCCC CS-0362570 [1,0,1,0,0,0|0,0,2]=4 38 B15R0.149 CCCCCCCCC(O)CCCCCC CS-0652033 [1,0,1,0,0,0|0,0,2]=4 39 B15R0.164 C#CCCCCCCCCCCCC(=O)O CS-0115159 [1,0,1,0,0,0|0,0,2]=4 40 B15R0.164 CCCCCCCCCCCCCC(=O)O CS-0018531 [1,0,1,0,0,0|0,0,0]=2 41 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CS-0198234 [1,0,1,0,0,0|0,0,1]=3 42 B15R0.164 CCCCCCCCCCCCCC(C)=O CS-0187603 [1,0,1,0,0,0|0,0,0]=2 43 B15R0.164 CCCCCCCCCCCCCC(N)=O CS-0152225 [1,0,1,0,0,0|1,0,0]=3 44 B15R0.164 O=C(O)CCCCCCCCCCCCBr CS-0254699 [1,0,1,0,0,0|1,0,0]=3 45 B15R0.164 O=C(O)CCCCCCCCCCCCO CS-0523206 [1,0,1,0,0,0|1,0,0]=3 46 B17R0.250 C=COC(=O)CCCCCCCCCCCCC CS-0167856 [0,1,1,0,0,0|0,0,2]=4 47 B17R0.250 CCCCCCCCCCCCCC(=O)OCC CS-0152228 [0,1,1,0,0,0|0,0,0]=2 48 B17R0.285 CCOC(=O)CCCCCCCCC(=O)OCC CS-W010159 [0,1,1,0,0,0|1,0,1]=4 49 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC CS-0185571 [0,1,1,0,0,0|0,0,0]=2 50 B17R0.3196 CCCCOC(=O)CCCCC(=O)OCCCC CS-0187351 [0,1,1,0,0,0|1,0,1]=4 51 B17R0.104 CCCCCCCCC(=O)CCCCCCCC CS-0152276 [0,1,1,0,0,0|1,0,0]=3 52 B17R0.195 CCCCCCCCCCCCCCC(=O)OC CS-W004289 [0,1,1,0,0,0|0,0,0]=2 53 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC CS-0169302 [0,1,1,0,0,0|0,0,1]=3 54 B17R0.13601 CCCCCCCCCCC[C@@H](O)CC(=O)OC CS-0199230 [0,1,1,0,0,0|0,0,0]=2 55 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)C CS-0160230 [0,1,1,0,0,0|0,0,0]=2 56 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O CS-W021044 [0,1,1,0,0,0|0,0,1]=3 57 B17R0.43 C(CCCCCC)=CCCCCCCCC(=O)O CS-W012589 [0,1,1,0,0,0|0,0,1]=3 58 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CS-0009861 [0,1,1,0,0,0|0,0,0]=2 59 B17R0.43 CCCCCCCCCCCCCCCC(N)=O CS-0081845 [0,1,1,0,0,0|1,0,0]=3 60 B17R0.43 CCCCCCCCCCCCCCOC(C)=O CS-W023024 [0,1,1,0,0,0|0,0,0]=2 61 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr CS-W007241 [0,1,1,0,0,0|0,0,0]=2 62 B17R0.43 O=C(O)CCCCCCCCCCCCCCO CS-0158376 [0,1,1,0,0,0|0,0,0]=2 63 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O CS-0201674 [0,1,1,0,0,0|1,0,1]=4 64 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] CS-0148402 [0,1,1,0,0,0|1,0,1]=4 65 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O CS-W012535 [0,1,1,0,0,0|1,0,1]=4 66 B17R0.117 CCCCCCCCCCCCCCCCCO CS-W004296 [0,1,1,0,0,0|1,0,1]=4 67 B17R0.117 OCCCCCCCCCCCCCCCCBr CS-0139587 [0,1,1,0,0,0|1,0,1]=4 68 B17R0.117 OCCCCCCCCCCCCCCCCO CS-0158377 [0,1,1,0,0,0|0,0,2]=4 69 B19R1.195866 O=C1CCCCCCCCCCCC(=O)OCCO1 CS-W010100 [0,1,0,0,0,1|0,0,1]=3 70 B17R1.29093 CCCCCCCCCCCCCCC1CO1 CS-0204370 [0,0,1,1,0,0|1,0,1]=4 71 B15R1.2988 C1CCCCCCCCCCCCCC1 CS-0320535 [1,0,0,0,1,0|0,0,1]=3