0 B22R0.37843 CCCCCCCCCCCCCCCCC#CC#CCCO Amb1804314 [0,0,0,0,0,0|0,0,4]=4 1 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCC=C Amb21520342 [0,0,0,0,0,0|1,0,1]=2 2 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCC=O Amb20669633 [0,0,0,0,0,0|0,0,2]=2 3 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCO Amb22338495 [0,0,0,0,0,0|0,0,0]=0 4 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCS Amb24323614 [0,0,0,0,0,0|0,1,0]=1 5 B22R0.37843 CCCCCCCCCCCCCCCCCCOCCC#N Amb22359813 [0,0,0,0,0,0|2,0,1]=3 6 B22R0.37843 CCCCCCCCCCCCCCCCNCCCCCC Amb20076225 [0,0,0,0,0,0|2,0,0]=2 7 B22R0.37843 CCCCCCCCCCCCCCCCOCCOCCO Amb22732047 [0,0,0,0,0,0|2,0,0]=2 8 B22R0.37843 CCCCCCCCCCCCCCC\C=C/CCCCCC Amb22740031 [0,0,0,0,0,0|1,0,2]=3 9 B22R0.37843 CCCCCCCCCCCNCCCCCCCCCCC Amb22359576 [0,0,0,0,0,0|2,0,0]=2 10 B22R0.37843 CCCCCCCCCCCOCCCCCCCCCCC Amb22731681 [0,0,0,0,0,0|2,0,0]=2 11 B22R0.37843 CCCCCCCCCCCSCCCCCCCCCCC Amb22359734 [0,0,0,0,0,0|2,0,0]=2 12 B22R0.37843 CCCCCCCCCCOCCOCCOCCOCCO Amb22269241 [0,0,0,0,0,0|4,0,0]=4 13 B22R0.37843 CCCCCCCCCCOCOCCCCCCCCCC Amb17674158 [0,0,0,0,0,0|3,0,0]=3 14 B22R0.37843 CCCCCCCCOCCNCCOCCCCCCCC Amb2137075 [0,0,0,0,0,0|4,0,0]=4 15 B22R0.37843 CCCCCCCC\C=C/CCCCCCCCCCCCO Amb22732526 [0,0,0,0,0,0|0,0,2]=2 16 B22R0.37843 CCNCCCNCCCCCCCCCCCCCCCC Amb20171928 [0,0,0,0,0,0|3,0,0]=3 17 B21R0.36664 CCCCCCCCCCCCCCCCCCCCC=C Amb19930029 [1,0,0,0,0,0|0,0,2]=3 18 B21R0.36664 CCCCCCCCCCCCCCCCCCOCCO Amb13883668 [1,0,0,0,0,0|1,0,0]=2 19 B21R0.36664 CCCCCCCCCCCCCCCCNCCCCO Amb20138975 [1,0,0,0,0,0|1,0,0]=2 20 B21R0.36664 CCCCCCCCCCSSCCCCCCCCCC Amb15691674 [1,0,0,0,0,0|2,0,0]=3 21 B21R0.36664 CNCCCNCCCCCCCCCCCCCCCC Amb20171923 [1,0,0,0,0,0|2,0,0]=3 22 B21R0.36664 ClCCCCCCCCCCCCCCCCCCCCCl Amb22641783 [1,0,0,0,0,0|2,0,0]=3 23 B23R0.47 CCCCCCCCCCCSSCCCCCCCCCCC Amb22352729 [0,1,0,0,0,0|2,0,0]=3 24 B23R0.47 OCCCCCCCCCCCCCCCCCCCCCCO Amb21936052 [0,1,0,0,0,0|0,0,0]=1 25 B23R0.9269 CCCCCCCCCCCCCCCCCCCCC(=O)OC Amb21928802 [0,1,0,0,0,0|2,0,1]=4 26 B23R0.9269 COC(=O)CCCCCCCCCCCCCCCCCCCO Amb21928824 [0,1,0,0,0,0|1,0,1]=3 27 B23R0.18719 CCCCCCCCCC(=O)CCCCCCCCCCCCC Amb22359783 [0,1,0,0,0,0|1,0,1]=3 28 B23R0.18719 CCCCCCCCCCCCNC(=O)CCCCCCCCC Amb17869219 [0,1,0,0,0,0|2,0,1]=4 29 B23R0.36661 CCCCCCCCCCCCCCCCCCCC(=O)OCC Amb22349623 [0,1,0,0,0,0|2,0,1]=4 30 B23R0.36661 CCCCCCCCCCCCCCCCCCOC(=O)CCS Amb24323534 [0,1,0,0,0,0|1,1,1]=4 31 B23R0.36743 CCCCCC(=O)CCCCCCCCCCCCCCCCC Amb22359803 [0,1,0,0,0,0|1,0,1]=3 32 B23R0.36959 BrCCCCCCCCCCCCCCCCCCCCC(=O)O Amb10071512 [0,1,0,0,0,0|1,0,1]=3 33 B23R0.36959 C=CCCCCCCCCCCCCCCCCCCCC(O)=O Amb22347533 [0,1,0,0,0,0|0,0,3]=4 34 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC(=O)Cl Amb22350611 [0,1,0,0,0,0|0,0,2]=3 35 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC(=O)O Amb10601786 [0,1,0,0,0,0|0,0,1]=2 36 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC(N)=O Amb22232381 [0,1,0,0,0,0|0,0,2]=3 37 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC([O-])=O Amb22731684 [0,1,0,0,0,0|0,0,2]=3 38 B23R0.36959 CCCCCCCCCC\C=C\CCCCCCCCCC(O)=O Amb19515757 [0,1,0,0,0,0|0,0,3]=4 39 B23R0.36959 CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O Amb22359762 [0,1,0,0,0,0|0,0,3]=4 40 B23R1.38917 CCCCCCCCCCCCCCCCCC1CCCCC1 Amb22730435 [0,0,0,1,0,0|1,0,0]=2 41 B23R1.38917 CCCCCCCCCCCCCCCCCC1SCCCS1 Amb22359366 [0,0,0,1,0,0|1,1,0]=3 42 B23R1.38917 CCCCCCCCCCCCCCCCNC1CCCCC1 Amb22369385 [0,0,0,1,0,0|2,0,0]=3 43 B20R0.2932 CCCCCCCCCCCCCCCCCCCCN Amb21856094 [2,0,0,0,0,0|1,0,0]=3 44 B20R0.2932 CCCCCCCCCCCCCCCCCCCCS Amb22729705 [2,0,0,0,0,0|0,1,0]=3 45 B20R0.2932 CCCCCCCCCCCCCCCCNCCCN Amb20171946 [2,0,0,0,0,0|2,0,0]=4 46 B20R0.2932 CCCCCCCCCCCCCCCCOCCCN Amb15691122 [2,0,0,0,0,0|2,0,0]=4 47 B20R0.2932 CCCCCCCCCCCCCCCCOCCCO Amb22236126 [2,0,0,0,0,0|1,0,0]=3 48 B20R0.2932 CCCCCCCCCCCCCCOCCOCCO Amb22350712 [2,0,0,0,0,0|2,0,0]=4 49 B20R0.2932 CCCCCCCCCCC\C=C/CCCCCCCC Amb22347888 [2,0,0,0,0,0|0,0,2]=4 50 B20R0.2932 CCCCCCCCCC[SiH2]CCCCCCCCCC Amb22347162 [2,0,0,0,0,0|0,1,0]=3 51 B20R0.2932 CCCCCCCC\C=C/CCCCCCCCCCO Amb22732536 [2,0,0,0,0,0|0,0,2]=4 52 B20R0.2932 CCCC[SiH2]CCCCCCCCCCCCCCCC Amb22366553 [2,0,0,0,0,0|0,1,0]=3 53 B22R0.2907 CCCCCCCCCCCCCCCCCCCCC(=O)Cl Amb22735152 [1,1,0,0,0,0|0,0,2]=4 54 B22R0.2907 OCCCCCCCCCCCCCCCCCCCC(O)=O Amb21928749 [1,1,0,0,0,0|1,0,1]=4 55 B22R0.37964 CCCCCCCCCCCCCCCCCCCC(=O)OC Amb10070431 [1,1,0,0,0,0|1,0,1]=4 56 B22R0.37964 CCCCCCCCCCCCCCCCCCNC(=O)CC Amb22347046 [1,1,0,0,0,0|1,0,1]=4 57 B22R0.37964 CCCCCCCCCCCCCCCCCOCC(O)CO Amb22388848 [1,1,0,0,0,0|1,0,0]=3 58 B22R0.38216 CCCCCCCCCCCCCCCCC(O)CNCCN Amb24080316 [1,1,0,0,0,0|2,0,0]=4 59 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCCC Amb22387526 [1,1,0,0,0,0|1,0,1]=4 60 B24R0.2855 CCCCCCCCCCCCCCCCCCCCCCCCBr Amb22369178 [0,2,0,0,0,0|1,0,0]=3 61 B24R0.2855 CCCCCCCCCCCCCCCCNCCCCCCCC Amb20076232 [0,2,0,0,0,0|1,0,0]=3 62 B24R0.2855 CCCCCCCCCCCCNCCCCCCCCCCCC Amb22491109 [0,2,0,0,0,0|1,0,0]=3 63 B24R0.2855 CCCCCCCCCCCCOCCCCCCCCCCCC Amb19930032 [0,2,0,0,0,0|1,0,0]=3 64 B24R0.2855 CCCCCCCCCCCC[Hg]CCCCCCCCCCCC Amb22347116 [0,2,0,0,0,0|1,0,0]=3 65 B24R0.2855 CCCCCCCCCCCC[Se][Se]CCCCCCCCCCC Amb10601687 [0,2,0,0,0,0|1,0,0]=3 66 B24R0.25594 CCCCCOC(=O)CCCCCCCCCCCCCCCCC Amb22732652 [0,2,0,0,0,0|1,0,1]=4 67 B24R0.31542 CCCCCCCCCCCCCCCCCCCC(=O)NCCO Amb16205298 [0,2,0,0,0,0|0,0,1]=3 68 B24R0.34120 C=CCCCCCCCCCCCCCCCCCCCCC(O)=O Amb19930214 [0,2,0,0,0,0|0,0,2]=4 69 B24R0.34120 CCCCCCCCCCC\C=C\CCCCCCCCCC(O)=O Amb21928702 [0,2,0,0,0,0|0,0,2]=4 70 B24R0.34120 OCCCCCCCCCCCCCCCCCCCCCC(O)=O Amb21928735 [0,2,0,0,0,0|0,0,1]=3 71 B24R0.34578 CCCCCCCCCCCCCCCCCCCCCC(=O)OC Amb19944670 [0,2,0,0,0,0|0,0,1]=3 72 B24R0.34578 COC(=O)CCCCCCCCCCCCCCCCCCCCO Amb21928825 [0,2,0,0,0,0|0,0,1]=3 73 B24R0.25590 CCCCCCCCCCCCCCCCCC(=O)NCC(CO)O Amb17613091 [0,2,0,0,0,0|1,0,1]=4 74 B24R0.25590 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO Amb22337629 [0,2,0,0,0,0|1,0,1]=4 75 B24R0.34581 CCCCCCCCCCCCCCCCCCCCC(O)C(O)=O Amb21928737 [0,2,0,0,0,0|0,0,1]=3 76 B24R0.25371 CCCCCCCCCCCCC(CN)CCCCCCCCCC Amb22735787 [0,2,0,0,0,0|1,0,0]=3 77 B24R0.25371 CCCCCCCCCCCCC(CO)CCCCCCCCCC Amb22348064 [0,2,0,0,0,0|1,0,0]=3 78 B24R0.25114 CCCCCCCCCCCC(CCCCCCCCCCC)=NO Amb22359698 [0,2,0,0,0,0|1,0,1]=4 79 B24R0.17633 CCCCCCCCCCCCCCCCCCCCOS(O)(=O)=O Amb22350103 [0,2,0,0,0,0|2,0,0]=4 80 B22R1.3252 CCCCCCCCCCCCCCCCC1CCCCC1 Amb24325331 [1,0,0,1,0,0|0,0,0]=2 81 B22R1.18078 CCCCCCCCC1CCCCC1CCCCCCCC Amb24056389 [1,0,0,1,0,0|0,0,0]=2 82 B24R1.55667 CCCCCCCCCCCCCCCCCCC1CCCCC1 Amb22731716 [0,1,0,1,0,0|1,0,0]=3 83 B24R1.55667 CCCCCCCCCCCCCCCCCCN1CCCCC1 Amb22360537 [0,1,0,1,0,0|1,0,0]=3 84 B24R1.55667 CCCCCCCCCCCCCCCCCCN1CCOCC1 Amb22358916 [0,1,0,1,0,0|2,0,0]=4 85 B24R1.55667 CCCCCCCCCCCCCCCCNCC1CCCCC1 Amb20076177 [0,1,0,1,0,0|1,0,0]=3 86 B24R1.63044 CCCCCCCCCCCCCCCCNCCC1CCCC1 Amb20091158 [0,1,0,1,0,0|1,0,0]=3 87 B24R1.1561479 CCCCCCCCCCCCCCCCCC(=O)OCC1OC1 Amb17614819 [0,1,0,1,0,0|1,0,1]=4