0 B16R0.1188 CCCCCCCCCCCCOC(C)(C)C Amb34890468 [0,0,0,0,0,0|4,0,0]=4 1 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb22337025 [0,0,0,0,0,0|0,0,0]=0 2 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb22348217 [0,0,0,0,0,0|0,0,0]=0 3 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb34916643 [0,0,0,0,0,0|0,0,0]=0 4 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] Amb22733953 [0,0,0,0,0,0|0,0,1]=1 5 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] Amb8514705 [0,0,0,0,0,0|0,0,1]=1 6 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] Amb8516680 [0,0,0,0,0,0|0,0,1]=1 7 B15R0.164 CCCCCCCCCCCCCC(=O)Cl Amb3940239 [1,0,0,0,0,0|3,0,0]=4 8 B15R0.164 CCCCCCCCCCCCCC(=O)O Amb2708780 [1,0,0,0,0,0|2,0,0]=3 9 B15R0.164 CCCCCCCCCCCCCC(N)=O Amb6366249 [1,0,0,0,0,0|3,0,0]=4 10 B15R0.164 CCCCCCCCCCCCNC(N)=O Amb2720910 [1,0,0,0,0,0|3,0,0]=4 11 B15R0.164 CCCCCCCCCCCCOC(=O)Cl Amb22002629 [1,0,0,0,0,0|2,0,0]=3 12 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb20630815 [1,0,0,0,0,0|3,0,0]=4 13 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb22059078 [1,0,0,0,0,0|3,0,0]=4 14 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [1,0,0,0,0,0|3,0,0]=4 15 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [1,0,0,0,0,0|3,0,0]=4 16 B15R0.252 CCCCCCCCCCCCP(=O)(O)O Amb9786422 [1,0,0,0,0,0|1,0,1]=3 17 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl Amb9826764 [1,0,0,0,0,0|1,0,0]=2 18 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] Amb10807313 [1,0,0,0,0,0|0,0,1]=2 19 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] Amb8513405 [1,0,0,0,0,0|0,0,1]=2 20 B15R0.252 CCCCCCCCCCCCS(N)(=O)=O Amb9789394 [1,0,0,0,0,0|1,0,0]=2 21 B15R0.252 CCCCCCCCOCCCS(=O)(=O)Cl Amb32939972 [1,0,0,0,0,0|2,0,0]=3 22 B15R0.252 CCCCCCCOCCCCS(=O)(=O)Cl Amb32940445 [1,0,0,0,0,0|2,0,0]=3 23 B15R0.252 CCCCCCOCCCCCS(=O)(=O)Cl Amb32939854 [1,0,0,0,0,0|2,0,0]=3 24 B15R0.252 CCCCCCOCCOCCS(=O)(=O)Cl Amb32940553 [1,0,0,0,0,0|3,0,0]=4 25 B15R0.252 CCCCCOCCCCCCS(=O)(=O)Cl Amb32939877 [1,0,0,0,0,0|2,0,0]=3 26 B15R0.252 CCCCOCCOCCCCS(=O)(=O)Cl Amb32940450 [1,0,0,0,0,0|3,0,0]=4 27 B15R0.252 CCCOCCOCCCCCS(=O)(=O)Cl Amb32939856 [1,0,0,0,0,0|3,0,0]=4 28 B15R0.252 CCOCCOCCCCCCS(=O)(=O)Cl Amb32939884 [1,0,0,0,0,0|3,0,0]=4 29 B15R0.252 COCCCOCCCCCCS(=O)(=O)Cl Amb32939882 [1,0,0,0,0,0|3,0,0]=4 30 B15R0.252 NCCCCCCCCCCCS(=O)(=O)F Amb33463851 [1,0,0,0,0,0|2,0,0]=3 31 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O Amb22053907 [0,1,0,0,0,0|2,0,1]=4 32 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] Amb6366516 [0,1,0,0,0,0|0,0,1]=2 33 B17R1.29209 CCCCCCCCCOC1CCS(=O)(=O)C1 Amb2548705 [0,0,0,1,0,0|3,0,0]=4 34 B14R0.392 CCCCCCCCCCCCCC=O Amb3940435 [2,0,0,0,0,0|2,0,0]=4 35 B14R0.392 CCCCCCCCCCCCCCO Amb3940391 [2,0,0,0,0,0|2,0,0]=4 36 B14R0.392 CCCCCCCCCCCCN=C=O Amb20671279 [2,0,0,0,0,0|2,0,0]=4 37 B14R0.394 CCCCCCCCCCCCB(O)O Amb13890365 [2,0,0,0,0,0|1,0,1]=4 38 B14R0.394 CCCCCCCCCCCCC(=O)O Amb8513363 [2,0,0,0,0,0|1,0,0]=3 39 B14R0.394 CCCCCCCCCCCCC(C)=O Amb22730728 [2,0,0,0,0,0|2,0,0]=4 40 B14R0.394 CCCCCCCCCCCCC(C)O Amb8513348 [2,0,0,0,0,0|2,0,0]=4 41 B14R0.394 CCCCCCCCCCCOC(C)=O Amb6366704 [2,0,0,0,0,0|2,0,0]=4 42 B14R0.394 NCCCCCCCCCCCC(=O)O Amb3940462 [2,0,0,0,0,0|2,0,0]=4 43 B14R0.394 O=C(O)CCCCCCCCCCCBr Amb3940328 [2,0,0,0,0,0|2,0,0]=4 44 B14R0.394 O=C(O)CCCCCCCCCCCO Amb3940329 [2,0,0,0,0,0|2,0,0]=4 45 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] Amb2686682 [2,0,0,0,0,0|0,0,1]=3 46 B14R0.88 CCCCCCCCOCCS(=O)(=O)Cl Amb32940092 [2,0,0,0,0,0|2,0,0]=4 47 B14R0.88 CCCCCCCOCCCS(=O)(=O)Cl Amb32939931 [2,0,0,0,0,0|2,0,0]=4 48 B14R0.88 CCCCCCOCCCCS(=O)(=O)Cl Amb32940417 [2,0,0,0,0,0|2,0,0]=4 49 B14R0.88 CCCCCOCCCCCS(=O)(=O)Cl Amb32939788 [2,0,0,0,0,0|2,0,0]=4 50 B14R0.88 CCCCOCCCCCCS(=O)(=O)Cl Amb32939875 [2,0,0,0,0,0|2,0,0]=4 51 B16R0.221 C=CC(=O)OCCCCCCCCCCCC Amb17934077 [1,1,0,0,0,0|2,0,0]=4 52 B16R0.221 CCCCCCCCCCCCCC(=O)OC Amb8513623 [1,1,0,0,0,0|2,0,0]=4 53 B16R0.221 CCCCCCCCCCCCOC(=O)CBr Amb9787144 [1,1,0,0,0,0|2,0,0]=4 54 B16R0.221 CCCCCCCCCCCCOC(=O)CC Amb31291585 [1,1,0,0,0,0|2,0,0]=4 55 B16R0.221 CCCCCCCCCCCCOC(=O)CCl Amb9787143 [1,1,0,0,0,0|2,0,0]=4 56 B16R0.221 CCCCCCCCCCCCOC(=O)CN Amb21520298 [1,1,0,0,0,0|2,0,0]=4 57 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O Amb17939323 [1,1,0,0,0,0|2,0,0]=4 58 B16R0.224 CCCCCCCCCCCCC(N)C(=O)O Amb34912725 [1,1,0,0,0,0|2,0,0]=4 59 B16R0.224 CCCCCCCCCCCC[C@@H](N)C(=O)O Amb34912481 [1,1,0,0,0,0|2,0,0]=4 60 B16R0.224 CCCCCCCCCCCC[C@H](N)C(=O)O Amb34913958 [1,1,0,0,0,0|2,0,0]=4 61 B16R0.274 CCCCCCCCCCCCCOC(C)=O Amb22352318 [1,1,0,0,0,0|2,0,0]=4 62 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb20622364 [1,1,0,0,0,0|2,0,0]=4 63 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb22059079 [1,1,0,0,0,0|2,0,0]=4 64 B16R0.274 O=C(O)CCCCCCCCCCCCCO Amb22489916 [1,1,0,0,0,0|2,0,0]=4 65 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] Amb8516799 [0,2,0,0,0,0|0,0,1]=3 66 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 Amb10807863 [1,0,0,1,0,0|2,0,0]=4 67 B16R1.1366 CCC1CCCCC1OCCCS(=O)(=O)Cl Amb32939959 [1,0,0,1,0,0|2,0,0]=4 68 B16R1.4466 O=S(=O)(Cl)CCCCCCOC1CCCC1 Amb32939867 [1,0,0,1,0,0|2,0,0]=4 69 B16R1.4466 O=S(=O)(Cl)CCCCCOCC1CCCC1 Amb32939846 [1,0,0,1,0,0|2,0,0]=4 70 B16R1.4470 O=S(=O)(Cl)CCCCCOC1CCCCC1 Amb32939847 [1,0,0,1,0,0|2,0,0]=4 71 B16R1.4470 O=S(=O)(Cl)CCCCOCC1CCCCC1 Amb32940441 [1,0,0,1,0,0|2,0,0]=4 72 B16R1.8819 CC1CCCCC1OCCCCS(=O)(=O)Cl Amb32940437 [1,0,0,1,0,0|2,0,0]=4 73 B16R1.17548 CCCCCCCCOC1CCS(=O)(=O)C1 Amb2548679 [1,0,0,1,0,0|2,0,0]=4 74 B16R1.25847 O=S(=O)(Cl)CCCCCCOCCC1CC1 Amb32939903 [1,0,0,1,0,0|2,0,0]=4 75 B16R1.25847 O=S(=O)(Cl)CCCCCOCCCC1CC1 Amb32940722 [1,0,0,1,0,0|2,0,0]=4 76 B16R1.25852 O=S(=O)(Cl)CCCOC1CCCCCCC1 Amb32940703 [1,0,0,1,0,0|2,0,0]=4 77 B16R1.25863 O=S(=O)(Cl)CCCCOC1CCCCCC1 Amb32940439 [1,0,0,1,0,0|2,0,0]=4 78 B16R1.25863 O=S(=O)(Cl)CCCOCC1CCCCCC1 Amb32939963 [1,0,0,1,0,0|2,0,0]=4 79 B16R1.25881 NS(=O)(=O)C1CCCCCCCCCCC1 Amb32665566 [1,0,0,1,0,0|1,0,0]=3 80 B16R1.25881 O=S(=O)(Cl)C1CCCCCCCCCCC1 Amb32665553 [1,0,0,1,0,0|1,0,0]=3 81 B16R1.25881 O=S(=O)(F)C1CCCCCCCCCCC1 Amb33351690 [1,0,0,1,0,0|1,0,0]=3 82 B16R1.39590 O=S(=O)(Cl)CCCCCCOCC1CCC1 Amb32940798 [1,0,0,1,0,0|2,0,0]=4 83 B16R1.39590 O=S(=O)(Cl)CCCCCOCCC1CCC1 Amb32939901 [1,0,0,1,0,0|2,0,0]=4 84 B18R1.13154 CCCCCCCCCCOC1CCS(=O)(=O)C1 Amb5717135 [0,1,0,1,0,0|2,0,0]=4