0 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC Amb9787146 [0,0,0,0,0,0|0,0,0]=0 1 B16R0.303 CCCCCCCCCCCCCCCCBr Amb6366441 [1,0,0,0,0,0|2,0,1]=4 2 B16R0.303 CCCCCCCCCCCCCCCCCl Amb8514668 [1,0,0,0,0,0|2,0,1]=4 3 B16R0.303 CCCCCCCCCCCCCCCCN Amb751923 [1,0,0,0,0,0|2,0,1]=4 4 B16R0.303 CCCCCCCCCCCCCCCCO Amb6354576 [1,0,0,0,0,0|2,0,1]=4 5 B16R0.303 CCCCCCCCCCCCCCCCS Amb8513184 [1,0,0,0,0,0|2,0,1]=4 6 B16R0.303 CCCCCCCCCCCCNCCCN Amb16234107 [1,0,0,0,0,0|2,0,1]=4 7 B16R0.303 CCCCCCCCCCCCOCCC#N Amb9787157 [1,0,0,0,0,0|1,0,2]=4 8 B16R0.303 CCCCCCCCCCCCOCCCN Amb2780371 [1,0,0,0,0,0|1,0,1]=3 9 B16R0.303 CCCCCCCCNCCCCCCCC Amb8513151 [1,0,0,0,0,0|2,0,1]=4 10 B16R0.303 CCCCCCCCOCCCCCCCC Amb9787158 [1,0,0,0,0,0|2,0,1]=4 11 B16R0.303 CCCCCCCCSCCCCCCCC Amb9787326 [1,0,0,0,0,0|2,0,1]=4 12 B16R0.303 CCCC\C=C/CCCCCCCCCC=O Amb10807576 [1,0,0,0,0,0|2,0,1]=4 13 B16R0.303 CCCC\C=C\CCCCCCCCCC=O Amb9134745 [1,0,0,0,0,0|2,0,1]=4 14 B16R0.661 CCCCCCCCCCCC(=O)NCCO Amb4015062 [1,0,0,0,0,0|2,0,0]=3 15 B16R0.661 CCCCCCCCCCCC(=O)OCCC Amb9787145 [1,0,0,0,0,0|0,0,0]=1 16 B16R0.661 CCCCCCCCCCCC(=O)OCCCl Amb9789397 [1,0,0,0,0,0|1,0,0]=2 17 B16R0.661 CCCCCCCCCCNC(=O)CCCCl Amb17324426 [1,0,0,0,0,0|2,0,0]=3 18 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)OCC Amb6295821 [0,1,0,0,0,0|2,0,1]=4 19 B18R0.7795 CCCCCCCCCCCC(=O)OCC(O)CO Amb9825460 [0,1,0,0,0,0|1,0,0]=2 20 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 Amb533440 [0,0,0,1,0,0|1,0,0]=2 21 B15R0.70 CCCCCCCCCCCCCCCBr Amb8516462 [2,0,0,0,0,0|1,0,1]=4 22 B15R0.70 CCCCCCCCCCCCCCCC Amb8513181 [2,0,0,0,0,0|0,0,1]=3 23 B15R0.70 CCCCCCCCCCCCCCCI Amb28990876 [2,0,0,0,0,0|1,0,1]=4 24 B15R0.70 CCCCCCCCCCCCCCCO Amb8513284 [2,0,0,0,0,0|1,0,1]=4 25 B15R0.70 CCCCCCCCCCCCCNCC Amb32410618 [2,0,0,0,0,0|1,0,1]=4 26 B15R0.70 CCCCCCCCCCCCOCCO Amb9787185 [2,0,0,0,0,0|1,0,1]=4 27 B15R0.70 CCCCCCCCCCCNCCCO Amb9786065 [2,0,0,0,0,0|2,0,0]=4 28 B15R0.70 CCCCCCCCCNCCCCCC Amb17308746 [2,0,0,0,0,0|1,0,1]=4 29 B15R0.70 CCCCCCCCNCCCCCCC Amb20077794 [2,0,0,0,0,0|1,0,1]=4 30 B15R0.322 CCCCCCCCCC(=O)CCCCC Amb22359716 [2,0,0,0,0,0|1,0,0]=3 31 B15R0.366 CCCCCCCCCCCC(=O)OCC Amb6366580 [2,0,0,0,0,0|0,0,0]=2 32 B15R0.366 CCCCCCCCCCCC(=O)OCCl Amb32413654 [2,0,0,0,0,0|1,0,0]=3 33 B15R0.366 CCCCCCCCNCCC(=O)OCC Amb20673293 [2,0,0,0,0,0|1,0,0]=3 34 B15R0.366 CCCCCC\C=C\CCCC(=O)OCC Amb24066550 [2,0,0,0,0,0|0,0,2]=4 35 B15R0.366 CCOC(=O)CCCCCCCCCCN Amb33804736 [2,0,0,0,0,0|1,0,0]=3 36 B17R0.3196 CCCCOC(=O)CCCCC(=O)OCCCC Amb2793079 [1,1,0,0,0,0|1,0,1]=4 37 B17R0.104 CCCCCCCCC(O)CCCCCCCC Amb2701854 [1,1,0,0,0,0|1,0,1]=4 38 B17R0.117 CCCCCCCCCCCCCCCCCBr Amb6366528 [1,1,0,0,0,0|1,0,1]=4 39 B17R0.117 CCCCCCCCCCCCCCCCCN Amb17674227 [1,1,0,0,0,0|1,0,1]=4 40 B17R0.117 CCCCCCCCCCCCCCCCCO Amb8514599 [1,1,0,0,0,0|1,0,1]=4 41 B17R0.117 CCCCCCCCCCCCCCCCNC Amb9787069 [1,1,0,0,0,0|1,0,1]=4 42 B17R0.8809 CCCCCCCCCC(O)CCCCCCC Amb6337716 [1,1,0,0,0,0|1,0,1]=4 43 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC Amb6295881 [1,1,0,0,0,0|1,0,1]=4 44 B19R0.9211 CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-] Amb21964906 [0,2,0,0,0,0|2,0,0]=4 45 B19R0.9213 CCCCCCCCCCCC(=O)OCCCCCC Amb33921527 [0,2,0,0,0,0|0,0,0]=2 46 B19R0.9213 CCCCCCCCCCCC(=O)OCCOCCCl Amb9789398 [0,2,0,0,0,0|0,0,0]=2 47 B19R0.25648 CCCCCCCCCCCCCC(=O)OCCCC Amb9787314 [0,2,0,0,0,0|0,0,0]=2 48 B17R1.11298 O=C1CCCCCCCCCCCCCCC1 Amb23453288 [1,0,0,1,0,0|1,0,0]=3 49 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 Amb536728 [1,0,0,1,0,0|0,0,0]=2 50 B17R1.1425 CCCCCCCCCCCCN1CCCC1 Amb9786401 [1,0,0,1,0,0|1,0,1]=4 51 B17R1.1425 CCCCCCCCCCCC[NH+]1CCCC1 Amb9786432 [1,0,0,1,0,0|1,0,1]=4