0 B14R0.394 C#CCCCCCCCCCCC(=O)O Amb1396957 [0,0,0,0,0,0|0,0,2]=2 1 B14R0.394 C=CCCCCCCCCCCC(=O)O Amb6297458 [0,0,0,0,0,0|0,0,2]=2 2 B14R0.394 CCCCCCCCCCCCB(O)O Amb13890365 [0,0,0,0,0,0|1,0,1]=2 3 B14R0.394 CCCCCCCCCCCCC(=O)O Amb8513363 [0,0,0,0,0,0|0,0,0]=0 4 B14R0.394 CCCCCCCCCCCCC(C)=O Amb22730728 [0,0,0,0,0,0|1,0,0]=1 5 B14R0.394 CCCCCCCCCCCCC(C)O Amb8513348 [0,0,0,0,0,0|1,0,1]=2 6 B14R0.394 CCCCCCCCCCCCN(C)C Amb8395263 [0,0,0,0,0,0|3,0,0]=3 7 B14R0.394 CCCCCCCCCCCOC(C)=O Amb6366704 [0,0,0,0,0,0|2,0,0]=2 8 B14R0.394 CCCCCCCCCNCCN(C)C Amb7761766 [0,0,0,0,0,0|4,0,0]=4 9 B14R0.394 CCCCCCCCSCCSC(=N)N Amb1085938 [0,0,0,0,0,0|4,0,0]=4 10 B14R0.394 CCCCCCCCSCCSC(=N)N Amb22283870 [0,0,0,0,0,0|4,0,0]=4 11 B14R0.394 COCCOCCOCCOCC(=O)O Amb31291459 [0,0,0,0,0,0|4,0,0]=4 12 B14R0.394 C\C=C\CCCCCCCCOC(C)=O Amb22641577 [0,0,0,0,0,0|2,0,2]=4 13 B14R0.394 N#CCCCCCCCCCCC(=O)O Amb4014736 [0,0,0,0,0,0|1,0,1]=2 14 B14R0.394 NCCCCCCCCCCCC(=O)O Amb3940462 [0,0,0,0,0,0|1,0,0]=1 15 B14R0.394 NCCOCCOCCOCCC(=O)O Amb22371716 [0,0,0,0,0,0|4,0,0]=4 16 B14R0.394 O=C(O)CCCCCCCCCCCBr Amb3940328 [0,0,0,0,0,0|1,0,0]=1 17 B14R0.394 O=C(O)CCCCCCCCCCCO Amb3940329 [0,0,0,0,0,0|1,0,0]=1 18 B14R0.394 O=C(O)CCOCCOCCOCCBr Amb24057426 [0,0,0,0,0,0|4,0,0]=4 19 B14R0.394 O=C(O)CCOCCOCCOCCO Amb24057824 [0,0,0,0,0,0|4,0,0]=4 20 B14R0.394 O=C(O)COCCOCCCCCCCl Amb33719366 [0,0,0,0,0,0|3,0,0]=3 21 B14R0.394 [N-]=[N+]=NCCCCCCCCCC(=O)O Amb32668376 [0,0,0,0,0,0|3,0,0]=3 22 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [1,0,0,0,0,0|0,0,2]=3 23 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [1,0,0,0,0,0|1,0,0]=2 24 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [1,0,0,0,0,0|0,0,0]=1 25 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [1,0,0,0,0,0|0,0,1]=2 26 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [1,0,0,0,0,0|0,0,1]=2 27 B13R0.54 CCCCCCCCCCCC(C)Br Amb22734063 [1,0,0,0,0,0|2,0,1]=4 28 B13R0.54 CCCCCCCCCCCC(C)N Amb21953727 [1,0,0,0,0,0|2,0,1]=4 29 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [1,0,0,0,0,0|1,0,0]=2 30 B13R0.54 CCCCCCCCCCCC(N)=S Amb13953232 [1,0,0,0,0,0|1,1,0]=3 31 B13R0.54 CCCCCCCCCCCN(C)C Amb8516600 [1,0,0,0,0,0|3,0,0]=4 32 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [1,0,0,0,0,0|2,0,0]=3 33 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [1,0,0,0,0,0|0,0,2]=3 34 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [1,0,0,0,0,0|0,0,2]=3 35 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [1,0,0,0,0,0|1,0,0]=2 36 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [1,0,0,0,0,0|1,0,0]=2 37 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [1,0,0,0,0,0|2,0,0]=3 38 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [1,0,0,0,0,0|1,0,0]=2 39 B13R0.54 COCCOCCOCCCC(=O)O Amb32667431 [1,0,0,0,0,0|3,0,0]=4 40 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [1,0,0,0,0,0|1,0,1]=3 41 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [1,0,0,0,0,0|2,0,0]=3 42 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [1,0,0,0,0,0|1,0,0]=2 43 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [1,0,0,0,0,0|1,0,0]=2 44 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [1,0,0,0,0,0|1,0,0]=2 45 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [1,0,0,0,0,0|1,0,0]=2 46 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [1,0,0,0,0,0|1,0,0]=2 47 B13R0.54 [N-]=[N+]=NCCCCCCCCC(=O)O Amb34913620 [1,0,0,0,0,0|3,0,0]=4 48 B13R0.336 BrCCCCCCCCCCCCBr Amb8513538 [1,0,0,0,0,0|2,0,1]=4 49 B13R0.336 C=CCSCCCCCCCCCC Amb9787753 [1,0,0,0,0,0|2,0,0]=3 50 B13R0.336 CCCCCCCCCCCCCBr Amb16234183 [1,0,0,0,0,0|1,0,1]=3 51 B13R0.336 CCCCCCCCCCCCCC Amb8513726 [1,0,0,0,0,0|1,0,1]=3 52 B13R0.336 CCCCCCCCCCCCCCl Amb9787118 [1,0,0,0,0,0|1,0,1]=3 53 B13R0.336 CCCCCCCCCCCCCN Amb8513364 [1,0,0,0,0,0|1,0,1]=3 54 B13R0.336 CCCCCCCCCCCCCO Amb2748034 [1,0,0,0,0,0|0,0,1]=2 55 B13R0.336 CCCCCCCCCCCCNC Amb3941528 [1,0,0,0,0,0|2,0,0]=3 56 B13R0.336 CCCCCCCCCCCCON Amb24117984 [1,0,0,0,0,0|2,0,0]=3 57 B13R0.336 CCCCCCCCCCCN=C=S Amb19883893 [1,0,0,0,0,0|1,1,1]=4 58 B13R0.336 CCCCCCCCCCCSCC Amb32410616 [1,0,0,0,0,0|2,0,1]=4 59 B13R0.336 CCCCCCCCCCNCCC Amb9787079 [1,0,0,0,0,0|2,0,1]=4 60 B13R0.336 CCCCCCCCCCNCCN Amb18333779 [1,0,0,0,0,0|2,0,1]=4 61 B13R0.336 CCCCCCCCCCNCCO Amb9787053 [1,0,0,0,0,0|1,0,1]=3 62 B13R0.336 CCCCCCCCCCOCCCl Amb9787198 [1,0,0,0,0,0|2,0,1]=4 63 B13R0.336 CCCCCCCCCCSCCO Amb1032989 [1,0,0,0,0,0|1,0,1]=3 64 B13R0.336 CCCCCCCCCNCCOC Amb7794404 [1,0,0,0,0,0|3,0,0]=4 65 B13R0.336 CNCCCCCCCCCCCO Amb32653434 [1,0,0,0,0,0|1,0,1]=3 66 B13R0.336 ClCCCCCCCCCCCCCl Amb8514863 [1,0,0,0,0,0|2,0,1]=4 67 B13R0.336 N#CCCCCCCCCCCCBr Amb31031008 [1,0,0,0,0,0|2,0,1]=4 68 B13R0.336 NCCCCCCCCCCCCN Amb9786762 [1,0,0,0,0,0|2,0,1]=4 69 B13R0.336 NCCCCCCCCCCCCO Amb17608041 [1,0,0,0,0,0|1,0,1]=3 70 B13R0.336 O=CCCCCCCCCCCC=O Amb33456151 [1,0,0,0,0,0|1,0,1]=3 71 B13R0.336 OCCCCCCCCCCCCBr Amb2694964 [1,0,0,0,0,0|1,0,1]=3 72 B13R0.336 OCCCCCCCCCCCCO Amb9787352 [1,0,0,0,0,0|1,0,1]=3 73 B13R0.336 OCCCCCOCCCCCCCl Amb33719428 [1,0,0,0,0,0|2,0,1]=4 74 B13R0.336 SCCCCCCCCCCCCBr Amb32663658 [1,0,0,0,0,0|1,1,1]=4 75 B15R0.69 CCCCCCCCCOC(=O)CC(C)=O Amb9787151 [0,1,0,0,0,0|2,0,1]=4 76 B15R0.81 CCCCCCCCCCCCC(=O)OC Amb21928887 [0,1,0,0,0,0|0,0,0]=1 77 B15R0.81 CCCCCCCCCCCCC(C)CO Amb28556616 [0,1,0,0,0,0|1,0,1]=3 78 B15R0.81 CCCCCCCCCCCCC(Cl)CCl Amb9787296 [0,1,0,0,0,0|2,0,1]=4 79 B15R0.81 CCCCCCCCCCCCC(O)CO Amb17674268 [0,1,0,0,0,0|0,0,2]=3 80 B15R0.81 CCCCCCCCCCOCC(O)CO Amb2611727 [0,1,0,0,0,0|1,0,2]=4 81 B15R0.81 COC(=O)CCCCCCCCCCCBr Amb4466753 [0,1,0,0,0,0|1,0,0]=2 82 B15R0.81 COC(=O)CCCCCCCCCCCN Amb17608040 [0,1,0,0,0,0|1,0,0]=2 83 B15R0.81 COC(=O)CCCCCCCCCCCN Amb21856053 [0,1,0,0,0,0|1,0,0]=2 84 B15R0.84 CCCCCCCCCCCC(C)=C(F)F Amb22641691 [0,1,0,0,0,0|2,0,1]=4 85 B15R0.88 CCCCCCCCNC(=O)CCC(=O)O Amb6337405 [0,1,0,0,0,0|1,0,1]=3 86 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O Amb3354796 [0,1,0,0,0,0|1,0,1]=3 87 B15R0.129 CCCCCCCC(=O)NCCCC(=O)O Amb7786386 [0,1,0,0,0,0|1,0,1]=3 88 B15R0.129 CCCCCCNC(=O)CCCCC(N)=O Amb33512900 [0,1,0,0,0,0|2,0,1]=4 89 B15R0.164 C#CCCCCCCCCCCCC(=O)O Amb22642011 [0,1,0,0,0,0|0,0,1]=2 90 B15R0.164 CCCCCCCCCCCCCC(=O)Cl Amb3940239 [0,1,0,0,0,0|1,0,0]=2 91 B15R0.164 CCCCCCCCCCCCCC(=O)O Amb2708780 [0,1,0,0,0,0|0,0,0]=1 92 B15R0.164 CCCCCCCCCCCCCC(N)=O Amb6366249 [0,1,0,0,0,0|1,0,0]=2 93 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22168111 [0,1,0,0,0,0|2,0,0]=3 94 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22523280 [0,1,0,0,0,0|2,0,0]=3 95 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22729789 [0,1,0,0,0,0|2,0,0]=3 96 B15R0.164 CCCCCCCCCCCCNC(N)=O Amb2720910 [0,1,0,0,0,0|1,0,0]=2 97 B15R0.164 CCCCCCCCCCCCOC(=O)Cl Amb22002629 [0,1,0,0,0,0|1,0,0]=2 98 B15R0.164 CCCCCCCCCCCCSC(=N)N Amb10669535 [0,1,0,0,0,0|2,0,0]=3 99 B15R0.164 CCCCCCCCCCCCSC(=N)N Amb9176340 [0,1,0,0,0,0|2,0,0]=3 100 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb20630815 [0,1,0,0,0,0|0,0,0]=1 101 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb22059078 [0,1,0,0,0,0|0,0,0]=1 102 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [0,1,0,0,0,0|0,0,0]=1 103 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [0,1,0,0,0,0|0,0,0]=1 104 B15R0.164 CN(C)CCCCCCCCCCCCN Amb24117502 [0,1,0,0,0,0|3,0,0]=4 105 B15R0.164 COCCOCCOCCOCCC(=O)O Amb16184419 [0,1,0,0,0,0|3,0,0]=4 106 B15R0.164 O=C(O)CCCCCCCCCCN=C=S Amb33471536 [0,1,0,0,0,0|1,0,1]=3 107 B15R0.164 O=C=NCCCCCCCCCCC(=O)O Amb33471308 [0,1,0,0,0,0|1,0,1]=3 108 B15R0.164 [N-]=[N+]=NCCCCCCCCCCC(=O)O Amb33512718 [0,1,0,0,0,0|2,0,0]=3 109 B15R0.222 C=C(F)CCCCCCCCCCC(=O)O Amb22547618 [0,1,0,0,0,0|0,0,2]=3 110 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O Amb4037082 [0,1,0,0,0,0|1,0,1]=3 111 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O Amb4037268 [0,1,0,0,0,0|1,0,1]=3 112 B15R0.222 O=C([O-])CCCCCCCCCCC(=O)[O-] Amb22168125 [0,1,0,0,0,0|1,0,2]=4 113 B15R0.252 CCCCCCCCCCCCP(=O)(O)O Amb9786422 [0,1,0,0,0,0|1,0,0]=2 114 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl Amb9826764 [0,1,0,0,0,0|1,0,1]=3 115 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] Amb10807313 [0,1,0,0,0,0|1,0,1]=3 116 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] Amb8513405 [0,1,0,0,0,0|1,0,1]=3 117 B15R0.252 CCCCCCCCCCCCS(N)(=O)=O Amb9789394 [0,1,0,0,0,0|1,0,1]=3 118 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C Amb8516615 [0,1,0,0,0,0|3,0,0]=4 119 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C Amb8516616 [0,1,0,0,0,0|3,0,0]=4 120 B15R0.252 CCCCCCCCCCCC[N+](C)(C)[O-] Amb22168367 [0,1,0,0,0,0|2,0,1]=4 121 B15R0.252 CCCCCCCCOCCCS(=O)(=O)Cl Amb32939972 [0,1,0,0,0,0|2,0,1]=4 122 B15R0.252 CCCCCCCOCCCCS(=O)(=O)Cl Amb32940445 [0,1,0,0,0,0|2,0,1]=4 123 B15R0.252 CCCCCCOCCCCCS(=O)(=O)Cl Amb32939854 [0,1,0,0,0,0|2,0,1]=4 124 B15R0.252 CCCCCOCCCCCCS(=O)(=O)Cl Amb32939877 [0,1,0,0,0,0|2,0,1]=4 125 B15R0.252 NCCCCCCCCCCCS(=O)(=O)F Amb33463851 [0,1,0,0,0,0|2,0,1]=4 126 B15R1.106 CCCCCCCCC1CCCC(=O)O1 Amb22732769 [0,0,0,1,0,0|0,0,0]=1 127 B15R1.106 N#CCCCCCCC1CCCC(=O)C1 Amb6302011 [0,0,0,1,0,0|2,0,1]=4 128 B15R1.131 CC1CC=CCC1COCCCC(=O)O Amb9208703 [0,0,0,1,0,0|1,0,2]=4 129 B15R1.131 CC1CCCCC1OCCCCC(=O)O Amb9207791 [0,0,0,1,0,0|1,0,0]=2 130 B15R1.131 CC1CCCCN1CCCNCC(=O)O Amb7766495 [0,0,0,1,0,0|2,0,0]=3 131 B15R1.504 O=C(O)CCCCOCC1CCCCO1 Amb9207796 [0,0,0,1,0,0|2,0,0]=3 132 B15R1.504 O=C(O)CCNCCCN1CCCCC1 Amb20573470 [0,0,0,1,0,0|2,0,0]=3 133 B15R1.504 O=C(O)CCNCCCN1CCOCC1 Amb8997961 [0,0,0,1,0,0|3,0,0]=4 134 B15R1.3745 CC#CCCN1CCCCCC1C(=O)O Amb27215920 [0,0,0,1,0,0|1,0,2]=4 135 B15R1.6659 O=C(O)CCN1CCCCCCCC1=O Amb35644115 [0,0,0,1,0,0|2,0,1]=4 136 B15R1.8900 O=C(O)CCCCCCCCCC1CC1 Amb33166758 [0,0,0,1,0,0|0,0,0]=1 137 B15R1.8958 O=C(O)CCNCCN1CCCCCC1 Amb20573203 [0,0,0,1,0,0|2,0,0]=3 138 B15R1.8958 O=C(O)CNCCCN1CCCCCC1 Amb20573289 [0,0,0,1,0,0|2,0,0]=3 139 B15R1.9036 CC(=O)C1CCCCCCCCCCC1 Amb1033011 [0,0,0,1,0,0|1,0,0]=2 140 B15R1.9036 CC(Br)C1CCCCCCCCCCC1 Amb27262115 [0,0,0,1,0,0|2,0,1]=4 141 B15R1.9036 O=C(O)C1CCCCCCCCCCC1 Amb22347939 [0,0,0,1,0,0|0,0,0]=1 142 B15R1.9199 CCCCCCCCCCCCC1CO1 Amb9787730 [0,0,0,1,0,0|1,0,1]=3 143 B15R1.10901 C#CCCN1CCCCCCC1C(=O)O Amb27881341 [0,0,0,1,0,0|1,0,2]=4 144 B12R0.5 BrCCCCCCCCCCCBr Amb8514480 [2,0,0,0,0,0|2,0,0]=4 145 B12R0.5 C#CCCCCCCCCCCO Amb10602413 [2,0,0,0,0,0|0,0,2]=4 146 B12R0.5 C=CCCCCCCCCCCC Amb2721661 [2,0,0,0,0,0|0,0,1]=3 147 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [2,0,0,0,0,0|1,0,1]=4 148 B12R0.5 C=CCNCCCCCCCCC Amb7761762 [2,0,0,0,0,0|1,0,1]=4 149 B12R0.5 CCCCCCCCCC#CCO Amb2609119 [2,0,0,0,0,0|0,0,2]=4 150 B12R0.5 CCCCCCCCCCCC#N Amb8384531 [2,0,0,0,0,0|1,0,1]=4 151 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [2,0,0,0,0,0|0,0,0]=2 152 B12R0.5 CCCCCCCCCCCCBr Amb6891945 [2,0,0,0,0,0|1,0,0]=3 153 B12R0.5 CCCCCCCCCCCCC Amb29471649 [2,0,0,0,0,0|0,0,1]=3 154 B12R0.5 CCCCCCCCCCCCC Amb8513362 [2,0,0,0,0,0|0,0,1]=3 155 B12R0.5 CCCCCCCCCCCCCl Amb4008392 [2,0,0,0,0,0|1,0,0]=3 156 B12R0.5 CCCCCCCCCCCCI Amb3940281 [2,0,0,0,0,0|1,0,0]=3 157 B12R0.5 CCCCCCCCCCCCN Amb3940463 [2,0,0,0,0,0|1,0,0]=3 158 B12R0.5 CCCCCCCCCCCCO Amb2721434 [2,0,0,0,0,0|0,0,0]=2 159 B12R0.5 CCCCCCCCCCCC[NH3+] Amb22049481 [2,0,0,0,0,0|1,0,0]=3 160 B12R0.5 CCCCCCCCCCCNC Amb32676722 [2,0,0,0,0,0|1,0,1]=4 161 B12R0.5 CCCCCCCCCCCNC Amb9787074 [2,0,0,0,0,0|1,0,1]=4 162 B12R0.5 CCCCCCCCCNCCC Amb7794670 [2,0,0,0,0,0|1,0,1]=4 163 B12R0.5 CCCCCCCCCSCCN Amb7794936 [2,0,0,0,0,0|2,0,0]=4 164 B12R0.5 CCCCCCCCCSCCO Amb7968787 [2,0,0,0,0,0|1,0,0]=3 165 B12R0.5 CCCCCCCCNCCCN Amb19058864 [2,0,0,0,0,0|2,0,0]=4 166 B12R0.5 CCCCCCCCOCCCN Amb13951369 [2,0,0,0,0,0|2,0,0]=4 167 B12R0.5 CCCCCCCCOCCCN Amb7764731 [2,0,0,0,0,0|2,0,0]=4 168 B12R0.5 CCCCCCCNCCCCC Amb7761456 [2,0,0,0,0,0|1,0,1]=4 169 B12R0.5 CCCCCCNCCCCCC Amb3938960 [2,0,0,0,0,0|1,0,1]=4 170 B12R0.5 CCCCCCOCCCCCC Amb9787554 [2,0,0,0,0,0|1,0,1]=4 171 B12R0.5 CCCCCCOCCOCCO Amb9787187 [2,0,0,0,0,0|2,0,0]=4 172 B12R0.5 CCCCCCSCCCCCC Amb8513185 [2,0,0,0,0,0|1,0,1]=4 173 B12R0.5 CCCC\C=C\CCCCCCO Amb33513191 [2,0,0,0,0,0|0,0,2]=4 174 B12R0.5 CCOCCCCCCCCCBr Amb33719481 [2,0,0,0,0,0|2,0,0]=4 175 B12R0.5 CCOCCCCCCCCCO Amb22233218 [2,0,0,0,0,0|1,0,0]=3 176 B12R0.5 NCCCCCCCCCCCN Amb16233911 [2,0,0,0,0,0|2,0,0]=4 177 B12R0.5 NCCCCCCCCCCCO Amb26304136 [2,0,0,0,0,0|1,0,0]=3 178 B12R0.5 NCCCCCCCCCCCO Amb30988059 [2,0,0,0,0,0|1,0,0]=3 179 B12R0.5 NCCCCCCCCCCCS Amb22336989 [2,0,0,0,0,0|1,1,0]=4 180 B12R0.5 OCCCCCCCCCCCBr Amb3372065 [2,0,0,0,0,0|1,0,0]=3 181 B12R0.5 OCCCCCCCCCCCO Amb15692712 [2,0,0,0,0,0|1,0,0]=3 182 B12R0.5 OCCCCCCCCCCCS Amb8396653 [2,0,0,0,0,0|1,0,0]=3 183 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [2,0,0,0,0,0|0,0,2]=4 184 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [2,0,0,0,0,0|2,0,0]=4 185 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [2,0,0,0,0,0|2,0,0]=4 186 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [2,0,0,0,0,0|0,0,2]=4 187 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [2,0,0,0,0,0|0,0,2]=4 188 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [2,0,0,0,0,0|1,0,1]=4 189 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [2,0,0,0,0,0|1,0,0]=3 190 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [2,0,0,0,0,0|0,0,0]=2 191 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [2,0,0,0,0,0|1,0,0]=3 192 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [2,0,0,0,0,0|2,0,0]=4 193 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [2,0,0,0,0,0|1,0,0]=3 194 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [2,0,0,0,0,0|0,0,2]=4 195 B12R0.234 CCOCCOCCCCC(=O)O Amb9207787 [2,0,0,0,0,0|2,0,0]=4 196 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [2,0,0,0,0,0|1,0,1]=4 197 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [2,0,0,0,0,0|1,0,0]=3 198 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [2,0,0,0,0,0|1,0,0]=3 199 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [2,0,0,0,0,0|1,0,0]=3 200 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [2,0,0,0,0,0|1,0,0]=3 201 B14R0.68 C=C(F)CCCCCCCCCC(=O)O Amb22641506 [1,1,0,0,0,0|0,0,2]=4 202 B14R0.68 CC(C)CCCCCCC\C=C/C(=O)O Amb22586579 [1,1,0,0,0,0|0,0,2]=4 203 B14R0.68 CC(O)CCCCCCCCCC(=O)[O-] Amb30988058 [1,1,0,0,0,0|0,0,1]=3 204 B14R0.68 O=C(O)CCCCCCCCCC(=O)O Amb10807546 [1,1,0,0,0,0|1,0,1]=4 205 B14R0.153 CCCCC(=O)NCCCCCC(=O)O Amb6243765 [1,1,0,0,0,0|1,0,1]=4 206 B14R0.231 CCCCCC(=O)CCCCCC(=O)O Amb6305237 [1,1,0,0,0,0|0,0,1]=3 207 B14R0.305 COC(=O)CCCCCCCCC(=O)O Amb6366515 [1,1,0,0,0,0|1,0,1]=4 208 B14R0.305 O=C(O)CCCCCCCCC(O)CO Amb9786104 [1,1,0,0,0,0|1,0,0]=3 209 B14R0.337 C#CC(O)CCCCCCCCCCC Amb22345519 [1,1,0,0,0,0|1,0,1]=4 210 B14R0.337 CCCCCCCCCCCC(=O)NN Amb6572508 [1,1,0,0,0,0|1,0,0]=3 211 B14R0.337 CCCCCCCCCCCC(=O)NO Amb31031031 [1,1,0,0,0,0|0,0,0]=2 212 B14R0.337 CCCCCCCCCCCC(=O)OC Amb4378331 [1,1,0,0,0,0|0,0,0]=2 213 B14R0.337 CCCCCCCCCCNC(=O)CCl Amb3366789 [1,1,0,0,0,0|2,0,0]=4 214 B14R0.337 CCCCCCCCCCOC(=O)CBr Amb1103529 [1,1,0,0,0,0|2,0,0]=4 215 B14R0.337 CCCCCCCCCCOC(=O)CC Amb9786156 [1,1,0,0,0,0|2,0,0]=4 216 B14R0.337 CCCCCCCCCCOC(=O)CCl Amb6618965 [1,1,0,0,0,0|2,0,0]=4 217 B14R0.337 COC(=O)CCCCCCCCCCBr Amb3354793 [1,1,0,0,0,0|1,0,0]=3 218 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [1,1,0,0,0,0|1,0,0]=3 219 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [1,1,0,0,0,0|1,0,0]=3 220 B14R0.340 CCCCCCCCCCC(Br)C(=O)O Amb8513066 [1,1,0,0,0,0|0,0,0]=2 221 B14R0.340 CCCCCCCCCCC(N)C(=O)O Amb21858489 [1,1,0,0,0,0|0,0,0]=2 222 B14R0.340 CCCCCCCCCCC(O)C(=O)O Amb3987639 [1,1,0,0,0,0|0,0,0]=2 223 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O Amb22745407 [1,1,0,0,0,0|0,0,0]=2 224 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O Amb33836077 [1,1,0,0,0,0|0,0,0]=2 225 B14R0.344 CCCCCCCCC(O)C#CC(=O)O Amb17779806 [1,1,0,0,0,0|0,0,2]=4 226 B14R0.344 CCCCCCCCC(O)CCC(=O)O Amb33313442 [1,1,0,0,0,0|0,0,0]=2 227 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] Amb32652042 [1,1,0,0,0,0|0,0,1]=3 228 B14R0.344 CCCCCCCCS(=O)CCC(=O)O Amb1038995 [1,1,0,0,0,0|1,0,0]=3 229 B14R0.391 CCCCCCCCCC(C)CC(=O)O Amb28963737 [1,1,0,0,0,0|0,0,0]=2 230 B14R0.391 CCCCCCCCCC(O)CC(=O)O Amb21928747 [1,1,0,0,0,0|0,0,0]=2 231 B14R0.391 CCCCCCCCNC(=O)CC(=O)O Amb28905868 [1,1,0,0,0,0|1,0,1]=4 232 B14R0.145 CCCCCCCC(O)CCCCCC Amb6869645 [1,1,0,0,0,0|1,0,1]=4 233 B14R0.392 C=CCCCCCCCCCCCC=C Amb22641575 [1,1,0,0,0,0|1,0,1]=4 234 B14R0.392 C=CCCCCCCCCCCCCBr Amb31031236 [1,1,0,0,0,0|1,0,0]=3 235 B14R0.392 C=CCCCCCCCCCCCCC Amb6336502 [1,1,0,0,0,0|1,0,0]=3 236 B14R0.392 CCCCCCCCCCCCCC#N Amb4008531 [1,1,0,0,0,0|1,0,1]=4 237 B14R0.392 CCCCCCCCCCCCCC=O Amb3940435 [1,1,0,0,0,0|0,0,0]=2 238 B14R0.392 CCCCCCCCCCCCCCBr Amb8513855 [1,1,0,0,0,0|1,0,1]=4 239 B14R0.392 CCCCCCCCCCCCCCCl Amb8384591 [1,1,0,0,0,0|1,0,1]=4 240 B14R0.392 CCCCCCCCCCCCCCF Amb10840999 [1,1,0,0,0,0|1,0,1]=4 241 B14R0.392 CCCCCCCCCCCCCCO Amb3940391 [1,1,0,0,0,0|0,0,1]=3 242 B14R0.392 CCCCCCCCCCCCCNC Amb10241352 [1,1,0,0,0,0|1,0,1]=4 243 B14R0.392 CCCCCCCCCCCCC[NH2+]C Amb9787093 [1,1,0,0,0,0|1,0,1]=4 244 B14R0.392 CCCCCCCCCCCCN=C=O Amb20671279 [1,1,0,0,0,0|0,0,1]=3 245 B14R0.392 CCCCCCCCCCCCN=C=S Amb6860856 [1,1,0,0,0,0|0,1,1]=4 246 B14R0.392 CCCCCCCCCCCCN=[N+]=[N-] Amb33249645 [1,1,0,0,0,0|2,0,0]=4 247 B14R0.392 CCCCCCCCCCCCSC#N Amb6366407 [1,1,0,0,0,0|1,0,1]=4 248 B14R0.392 CCCCCCCCCCCCSCC Amb4008818 [1,1,0,0,0,0|1,0,1]=4 249 B14R0.392 CCCCCCCCCCCNCCC Amb9787065 [1,1,0,0,0,0|1,0,1]=4 250 B14R0.392 CCCCCCCCCCCOCCO Amb9787691 [1,1,0,0,0,0|0,0,1]=3 251 B14R0.392 CCCCCCCCCCC[NH2+]CCC Amb9787083 [1,1,0,0,0,0|1,0,1]=4 252 B14R0.392 CCCCCCCCCCOCCC#N Amb9787156 [1,1,0,0,0,0|1,0,1]=4 253 B14R0.392 CCCCCCCCCNCCCCC Amb7761764 [1,1,0,0,0,0|1,0,1]=4 254 B14R0.392 CCCCCCCCC[NH2+]CCCCC Amb9787092 [1,1,0,0,0,0|1,0,1]=4 255 B14R0.392 CCCCCCCCNCCCCCC Amb7757641 [1,1,0,0,0,0|1,0,1]=4 256 B14R0.392 CCCCCCCCNCCOCCO Amb7757673 [1,1,0,0,0,0|1,0,1]=4 257 B14R0.392 CCCCCCCCOCCOCCO Amb8513230 [1,1,0,0,0,0|1,0,1]=4 258 B14R0.392 CCCCCCCNCCCCCCC Amb495299 [1,1,0,0,0,0|1,0,1]=4 259 B14R0.392 CCCCCCCNCCCCCCC Amb839439 [1,1,0,0,0,0|1,0,1]=4 260 B14R0.392 CCCCCCCOCCCCCCC Amb4008530 [1,1,0,0,0,0|1,0,1]=4 261 B14R0.392 CCCCCCCSCCCCCCC Amb9787168 [1,1,0,0,0,0|1,0,1]=4 262 B14R0.392 CCCC\C=C/CCCCCCCCO Amb24053303 [1,1,0,0,0,0|0,0,2]=4 263 B14R0.392 CC\C=C/CCCCCCCCCCO Amb33756791 [1,1,0,0,0,0|0,0,2]=4 264 B14R0.392 CC\C=C\CCCCCCCCCC=O Amb2721580 [1,1,0,0,0,0|0,0,1]=3 265 B14R0.392 CC\C=C\CCCCCCCCCCO Amb539676 [1,1,0,0,0,0|0,0,2]=4 266 B14R0.392 OCCCCCCCCCCCCCBr Amb534144 [1,1,0,0,0,0|0,0,1]=3 267 B14R0.392 OCCCCCCCCCCCCCO Amb10603348 [1,1,0,0,0,0|0,0,1]=3 268 B14R0.393 CCCCCCCCCCC(O)CCC Amb24099722 [1,1,0,0,0,0|1,0,1]=4 269 B14R0.393 CCCCCCCCCCS(=O)CCO Amb1039004 [1,1,0,0,0,0|1,0,1]=4 270 B14R0.493 CCCCCCCCNC(C)CCCO Amb33363334 [1,1,0,0,0,0|1,0,1]=4 271 B16R0.60 O=C(O)CCCCCCCCC(O)CC(=O)O Amb24062099 [0,2,0,0,0,0|1,0,1]=4 272 B16R0.1203 CCCCCCCCCC(=O)N(C)CC(=O)O Amb9015571 [0,2,0,0,0,0|1,0,1]=4 273 B16R0.61 CCCCCCCCCCCCC(=O)OCCl Amb32414072 [0,2,0,0,0,0|0,0,0]=2 274 B16R0.61 CCOC(=O)CCCCCCCCCCCBr Amb32406014 [0,2,0,0,0,0|1,0,0]=3 275 B16R0.61 CCOC(=O)CCCCCCCCCCCN Amb28858255 [0,2,0,0,0,0|1,0,0]=3 276 B16R0.61 CCOC(=O)CCCCCCCCCCCN Amb32668359 [0,2,0,0,0,0|1,0,0]=3 277 B16R0.164 COC(=O)CCCCCCCCCC(=O)OC Amb6366458 [0,2,0,0,0,0|1,0,1]=4 278 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O Amb13887306 [0,2,0,0,0,0|0,0,1]=3 279 B16R0.165 O=C(O)CCCCCCCCCCC(F)CBr Amb22547636 [0,2,0,0,0,0|0,0,0]=2 280 B16R0.221 C=CC(=O)OCCCCCCCCCCCC Amb17934077 [0,2,0,0,0,0|1,0,0]=3 281 B16R0.221 CCCCCCCCCCCCCC(=O)NN Amb17779807 [0,2,0,0,0,0|1,0,0]=3 282 B16R0.221 CCCCCCCCCCCCCC(=O)NN Amb6493018 [0,2,0,0,0,0|1,0,0]=3 283 B16R0.221 CCCCCCCCCCCCCC(=O)OC Amb8513623 [0,2,0,0,0,0|0,0,0]=2 284 B16R0.221 CCCCCCCCCCCCCC(O)CC Amb22234780 [0,2,0,0,0,0|1,0,1]=4 285 B16R0.221 CCCCCCCCCCCCNC(=O)CCl Amb9786179 [0,2,0,0,0,0|1,0,0]=3 286 B16R0.221 CCCCCCCCCCCCNC(=O)CN Amb23440885 [0,2,0,0,0,0|1,0,0]=3 287 B16R0.221 CCCCCCCCCCCCOC(=O)CBr Amb9787144 [0,2,0,0,0,0|1,0,0]=3 288 B16R0.221 CCCCCCCCCCCCOC(=O)CC Amb31291585 [0,2,0,0,0,0|1,0,0]=3 289 B16R0.221 CCCCCCCCCCCCOC(=O)CCl Amb9787143 [0,2,0,0,0,0|1,0,0]=3 290 B16R0.221 CCCCCCCCCCCCOC(=O)CN Amb21520298 [0,2,0,0,0,0|1,0,0]=3 291 B16R0.221 CCCCCCCCCCCCS\C(N)=N\C Amb13951544 [0,2,0,0,0,0|2,0,0]=4 292 B16R0.221 COC(=O)CCCCCCCCCCN=[N+]=[N-] Amb34912868 [0,2,0,0,0,0|2,0,0]=4 293 B16R0.222 CCCCCCCCCCCCC(CO)CO Amb4466572 [0,2,0,0,0,0|0,0,2]=4 294 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O Amb17939323 [0,2,0,0,0,0|0,0,0]=2 295 B16R0.224 CCCCCCCCCCCCC(N)C(=O)O Amb34912725 [0,2,0,0,0,0|0,0,0]=2 296 B16R0.224 CCCCCCCCCCCC[C@@H](N)C(=O)O Amb34912481 [0,2,0,0,0,0|0,0,0]=2 297 B16R0.224 CCCCCCCCCCCC[C@H](N)C(=O)O Amb34913958 [0,2,0,0,0,0|0,0,0]=2 298 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O Amb33756850 [0,2,0,0,0,0|0,0,1]=3 299 B16R0.177 CCCCCCC(=O)NCCCCCC(=O)O Amb2612837 [0,2,0,0,0,0|0,0,1]=3 300 B16R0.177 NCCCCCC(=O)NCCCCCC(=O)O Amb29838095 [0,2,0,0,0,0|1,0,1]=4 301 B16R0.177 NCCCCCC(=O)NCCCCCC(=O)O Amb31289422 [0,2,0,0,0,0|1,0,1]=4 302 B16R0.177 NCCCCCC(=O)NCCCCCC(=O)O Amb32664221 [0,2,0,0,0,0|1,0,1]=4 303 B16R0.274 C=CCCCCCCCCCCCCC(=O)O Amb22489917 [0,2,0,0,0,0|0,0,0]=2 304 B16R0.274 CCCCCCCCCCCCCOC(C)=O Amb22352318 [0,2,0,0,0,0|1,0,0]=3 305 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb20622364 [0,2,0,0,0,0|0,0,0]=2 306 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb22059079 [0,2,0,0,0,0|0,0,0]=2 307 B16R0.274 CCCCCCCCCCSCCSC(=N)N Amb1085939 [0,2,0,0,0,0|2,0,0]=4 308 B16R0.274 CCCCCCCCCCSCCSC(=N)N Amb22283871 [0,2,0,0,0,0|2,0,0]=4 309 B16R0.274 O=C(O)CCCCCCCCCCCCCO Amb22489916 [0,2,0,0,0,0|0,0,0]=2 310 B16R0.274 O=C(O)CCCCCCCCCCCN=C=S Amb33471294 [0,2,0,0,0,0|0,0,1]=3 311 B16R0.274 O=C=NCCCCCCCCCCCC(=O)O Amb33471301 [0,2,0,0,0,0|0,0,1]=3 312 B16R0.274 [N-]=[N+]=NCCCCCCCCCCCC(=O)O Amb34912551 [0,2,0,0,0,0|1,0,0]=3 313 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb22337025 [0,2,0,0,0,0|1,0,0]=3 314 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb22348217 [0,2,0,0,0,0|1,0,0]=3 315 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb34916643 [0,2,0,0,0,0|1,0,0]=3 316 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] Amb22733953 [0,2,0,0,0,0|1,0,1]=4 317 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] Amb8514705 [0,2,0,0,0,0|1,0,1]=4 318 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] Amb8516680 [0,2,0,0,0,0|1,0,1]=4 319 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O Amb1786144 [0,2,0,0,0,0|0,0,1]=3 320 B14R1.26 CCCCCCCC1CCCC(=O)O1 Amb767091 [1,0,0,1,0,0|0,0,0]=2 321 B14R1.96 CCC1CCCCN1CCCC(=O)Cl Amb17143700 [1,0,0,1,0,0|2,0,0]=4 322 B14R1.96 CCC1CCCCN1CCCC(=O)O Amb5775446 [1,0,0,1,0,0|1,0,0]=3 323 B14R1.96 CCC1CCCCN1CCCC(N)=O Amb17143194 [1,0,0,1,0,0|2,0,0]=4 324 B14R1.269 CCCC1CCCCCC1NC(C)=O Amb2227902 [1,0,0,1,0,0|2,0,0]=4 325 B14R1.269 CCC[C@H]1CCCCC[C@@H]1NC(C)=O Amb27783350 [1,0,0,1,0,0|2,0,0]=4 326 B14R1.275 CCCC1CCCCCCCC(=O)N1 Amb28408987 [1,0,0,1,0,0|1,0,0]=3 327 B14R1.333 O=C(O)CCC1CCCCCCC1=O Amb27751434 [1,0,0,1,0,0|1,0,1]=4 328 B14R1.422 O=C(O)CCCCCC1CCCCC1 Amb22230076 [1,0,0,1,0,0|0,0,0]=2 329 B14R1.422 O=C(O)CCCCCC1CCCCN1 Amb32430378 [1,0,0,1,0,0|1,0,0]=3 330 B14R1.422 O=C(O)CCCCCN1CCOCC1 Amb33079998 [1,0,0,1,0,0|2,0,0]=4 331 B14R1.422 O=C(O)CCCCOC1CCCCC1 Amb9207782 [1,0,0,1,0,0|1,0,0]=3 332 B14R1.422 O=C(O)CCCNCC1CCCCC1 Amb6274295 [1,0,0,1,0,0|1,0,0]=3 333 B14R1.422 O=C(O)CCCSCC1CCCNC1 Amb17503127 [1,0,0,1,0,0|2,0,0]=4 334 B14R1.422 O=C(O)CCCSCC1CCNCC1 Amb17503028 [1,0,0,1,0,0|2,0,0]=4 335 B14R1.422 O=C(O)CCNCCN1CCCCC1 Amb9326457 [1,0,0,1,0,0|2,0,0]=4 336 B14R1.422 O=C(O)CCSCCN1CCCCC1 Amb6745725 [1,0,0,1,0,0|2,0,0]=4 337 B14R1.422 O=C(O)CNCCCN1CCCCC1 Amb20152206 [1,0,0,1,0,0|2,0,0]=4 338 B14R1.427 O=C(O)CCNCCCN1CCCC1 Amb19090342 [1,0,0,1,0,0|2,0,0]=4 339 B14R1.482 O=C(O)CCN1CCCCC1CCO Amb6637635 [1,0,0,1,0,0|2,0,0]=4 340 B14R1.4408 O=C1C=CCCCCCCCCCC1 Amb25793577 [1,0,0,1,0,0|1,0,1]=4 341 B14R1.4408 O=C1CCCCCCCCCCCN1 Amb9825846 [1,0,0,1,0,0|1,0,0]=3 342 B14R1.4408 O=C1CCCCCCCCCCCO1 Amb9825923 [1,0,0,1,0,0|0,0,0]=2 343 B14R1.4408 O=C1CCCCCCCCNCCO1 Amb28187014 [1,0,0,1,0,0|1,0,0]=3 344 B14R1.4408 O=C1CCCCCCCNCCCO1 Amb27746900 [1,0,0,1,0,0|1,0,0]=3 345 B14R1.4408 O=C1NCCCCCCCCCCN1 Amb28130432 [1,0,0,1,0,0|2,0,0]=4 346 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [1,0,0,1,0,0|1,0,0]=3 347 B14R1.4408 OC1CCCCCCCCCCCC1 Amb27598545 [1,0,0,1,0,0|1,0,1]=4 348 B14R1.4728 CCCCCCCCC1CC1C(=O)O Amb1033024 [1,0,0,1,0,0|0,0,0]=2 349 B14R1.4808 C=C1CCCCCCCCC1C(=O)O Amb27592138 [1,0,0,1,0,0|0,0,2]=4 350 B14R1.6343 O=C(O)CCCCN1CCCNCC1 Amb17479032 [1,0,0,1,0,0|2,0,0]=4 351 B14R1.6343 O=C(O)CNCCN1CCCCCC1 Amb20573254 [1,0,0,1,0,0|2,0,0]=4 352 B14R1.6388 O=C(O)CCCCCCCCC1CC1 Amb32645995 [1,0,0,1,0,0|0,0,0]=2 353 B14R1.6414 NC(=O)C1CCCCCCCCCC1 Amb27984828 [1,0,0,1,0,0|1,0,0]=3 354 B14R1.6414 O=C(O)C1C=CCCCCCCCC1 Amb27231809 [1,0,0,1,0,0|0,0,2]=4 355 B14R1.6414 O=C(O)C1CCCCCCCCCC1 Amb4034592 [1,0,0,1,0,0|0,0,0]=2 356 B14R1.6414 O=C(O)C1CCCCCCCCCN1 Amb27983623 [1,0,0,1,0,0|1,0,0]=3 357 B14R1.6444 O=C(O)C=C1CCCCCCCCC1 Amb28118972 [1,0,0,1,0,0|0,0,2]=4 358 B14R1.40 CCCCCCCCCC1OCCO1 Amb8383458 [1,0,0,1,0,0|1,0,1]=4 359 B14R1.123 CCCCCCCCC1CCCCC1 Amb22733702 [1,0,0,1,0,0|1,0,1]=4 360 B14R1.123 CCCCCCCCC1CCCCN1 Amb3788658 [1,0,0,1,0,0|1,0,1]=4 361 B14R1.123 CCCCCCCCC1CCCNC1 Amb22642854 [1,0,0,1,0,0|2,0,0]=4 362 B14R1.123 CCCCCCCCC1CCCNC1 Amb35745609 [1,0,0,1,0,0|2,0,0]=4 363 B14R1.123 OCCCCCNCC1CCCCC1 Amb876062 [1,0,0,1,0,0|1,0,1]=4 364 B14R1.138 CCCCCCN1CCCCCC1=O Amb17844183 [1,0,0,1,0,0|1,0,0]=3 365 B14R1.216 CCCCCCCCC1CCCC1=O Amb6337658 [1,0,0,1,0,0|0,0,0]=2 366 B14R1.216 CCCCCCCCN1CCCC1=O Amb8629204 [1,0,0,1,0,0|1,0,0]=3 367 B14R1.230 CCCCCCCCC[C@@H]1O[C@H]1CO Amb24308872 [1,0,0,1,0,0|1,0,1]=4 368 B14R1.247 CC1CCCCCCCCCCC1=O Amb540121 [1,0,0,1,0,0|0,0,0]=2 369 B14R1.247 CC1CCCCCCCCCCC1O Amb27164153 [1,0,0,1,0,0|0,0,1]=3 370 B14R1.247 O=C1CCCCCCCCCCC1=O Amb4136412 [1,0,0,1,0,0|1,0,1]=4 371 B14R1.247 O=C1CCCCCCCCCCC1Br Amb4017597 [1,0,0,1,0,0|1,0,0]=3 372 B14R1.247 O=C1CCCCCCCCCCC1O Amb4017908 [1,0,0,1,0,0|1,0,0]=3 373 B14R1.247 OC1CCCCCCCCCCC1Cl Amb4010586 [1,0,0,1,0,0|1,0,1]=4 374 B14R1.247 OC1CCCCCCCCCCC1O Amb22729167 [1,0,0,1,0,0|1,0,1]=4 375 B14R1.247 O[C@H]1CCCCCCCCCC[C@@H]1O Amb27456640 [1,0,0,1,0,0|1,0,1]=4 376 B14R1.247 O[C@H]1CCCCCCCCCC[C@H]1O Amb3989265 [1,0,0,1,0,0|1,0,1]=4 377 B14R1.256 NCCC1CCCCCCCCCC1 Amb27229464 [1,0,0,1,0,0|1,0,1]=4 378 B14R1.784 CNCCN1CCCCCCCC1=O Amb35704083 [1,0,0,1,0,0|2,0,0]=4 379 B14R1.784 NCCCN1CCCCCCCC1=O Amb28385731 [1,0,0,1,0,0|2,0,0]=4 380 B14R1.784 O=C1CCCCCCCN1CCCBr Amb30013845 [1,0,0,1,0,0|2,0,0]=4 381 B14R1.784 O=C1CCCCCCCN1CCCCl Amb30013844 [1,0,0,1,0,0|2,0,0]=4 382 B14R1.784 O=C1CCCCCCCN1CCCS Amb30014001 [1,0,0,1,0,0|2,0,0]=4 383 B14R1.845 CNC1CCCCCCCCCCC1 Amb1119036 [1,0,0,1,0,0|2,0,0]=4 384 B14R1.845 COC1CCCCCCCCCCC1 Amb8514867 [1,0,0,1,0,0|2,0,0]=4 385 B14R1.845 NCC1CCCCCCCCCCC1 Amb8950178 [1,0,0,1,0,0|1,0,1]=4 386 B14R1.845 NNC1CCCCCCCCCCC1 Amb6662858 [1,0,0,1,0,0|2,0,0]=4 387 B14R1.845 O=CC1CCCCCCCCCCC1 Amb26021430 [1,0,0,1,0,0|0,0,0]=2 388 B14R1.845 OCC1CCCCCCCCCCC1 Amb4016249 [1,0,0,1,0,0|0,0,1]=3 389 B14R1.845 [C-]#[N+]C1CCCCCCCCCCC1 Amb2686623 [1,0,0,1,0,0|2,0,0]=4 390 B14R1.882 CCCCCCCC1CCCCC1O Amb534143 [1,0,0,1,0,0|0,0,1]=3 391 B14R1.882 CCCCCC\C=C1/CCCCC1=O Amb22823239 [1,0,0,1,0,0|0,0,2]=4 392 B14R1.2874 C1CCCCCCCCCCCCC1 Amb22230503 [1,0,0,1,0,0|1,0,1]=4 393 B16R1.6929 CC(CC(=O)O)NCCCN1CCCCC1 Amb20573594 [0,1,0,1,0,0|2,0,0]=4 394 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 Amb1033013 [0,1,0,1,0,0|1,0,0]=3 395 B16R1.18167 CC(C)=CC1CCCCCCCCCCC1 Amb22641516 [0,1,0,1,0,0|2,0,0]=4 396 B16R1.58444 CC(CC(=O)O)NCCN1CCCCCC1 Amb20414272 [0,1,0,1,0,0|2,0,0]=4 397 B16R1.8816 FC1=CCCCCCCCCCCCCC1 Amb22641508 [0,1,0,1,0,0|2,0,0]=4 398 B16R1.8816 O=C1CCCCCCCCCCCCCC1 Amb6357375 [0,1,0,1,0,0|1,0,0]=3 399 B16R1.8816 O=C1CCCCCCCCCCOCCO1 Amb533453 [0,1,0,1,0,0|0,0,0]=2 400 B16R1.8816 OC1CCCCCCCCCCCCCC1 Amb6357514 [0,1,0,1,0,0|1,0,1]=4 401 B16R1.4131 CC(CNCCCN1CCCCC1)C(=O)O Amb20573508 [0,1,0,1,0,0|2,0,0]=4 402 B16R1.57381 NC1(C(=O)O)CCCCCCCCCCC1 Amb24107546 [0,1,0,1,0,0|0,0,0]=2 403 B16R1.57381 NC1(C(=O)O)CCCCCCCCCCC1 Amb4134841 [0,1,0,1,0,0|0,0,0]=2 404 B16R1.58988 CC(CNCCN1CCCCCC1)C(=O)O Amb20573405 [0,1,0,1,0,0|2,0,0]=4 405 B16R1.26164 O=C(O)CCC(=O)NC1CCCCCCC1 Amb6498098 [0,1,0,1,0,0|1,0,1]=4 406 B16R1.83 CC1CCCC(OCCCCCC(=O)O)C1 Amb33545665 [0,1,0,1,0,0|1,0,0]=3 407 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 Amb10807863 [0,1,0,1,0,0|0,0,0]=2 408 B16R1.290 CC1CCCCN1CCCNCCC(=O)O Amb7766494 [0,1,0,1,0,0|1,0,0]=3 409 B16R1.596 O=C(O)CCCOCCOC1CCCCO1 Amb32412968 [0,1,0,1,0,0|2,0,0]=4 410 B16R1.17455 CCCCCCCCCCCCCC1CO1 Amb32665438 [0,1,0,1,0,0|1,0,1]=4 411 B16R1.18095 O=C(O)CCNCCCN1CCCCCC1 Amb20573169 [0,1,0,1,0,0|1,0,0]=3 412 B16R1.609 O=C(O)CCCCCC(=O)C1CCCCC1 Amb6305206 [0,1,0,1,0,0|0,0,1]=3 413 B16R1.4617 CCCCCCC(=O)N1CCC[C@@H]1C(=O)O Amb29848762 [0,1,0,1,0,0|1,0,1]=4 414 B16R1.1730 CCCCCC(=O)N1CCCCC1C(=O)O Amb7762225 [0,1,0,1,0,0|1,0,1]=4 415 B16R1.1730 CCCCNC(=O)C1CCCCC1C(=O)O Amb6559060 [0,1,0,1,0,0|1,0,1]=4 416 B16R1.25881 NS(=O)(=O)C1CCCCCCCCCCC1 Amb32665566 [0,1,0,1,0,0|1,0,1]=4 417 B16R1.25881 O=S(=O)(Cl)C1CCCCCCCCCCC1 Amb32665553 [0,1,0,1,0,0|1,0,1]=4 418 B16R1.25881 O=S(=O)(F)C1CCCCCCCCCCC1 Amb33351690 [0,1,0,1,0,0|1,0,1]=4 419 B16R1.18704 CCC1CCCCN1C(=O)CCCC(=O)O Amb9760483 [0,1,0,1,0,0|1,0,1]=4 420 B16R1.57966 O=C(O)CCCC(=O)N1CCCCCCC1 Amb9203168 [0,1,0,1,0,0|1,0,1]=4 421 B16R2.55 CCCC1CCCCN1C2CCC(=O)C2 Amb27764401 [0,0,0,2,0,0|2,0,0]=4 422 B16R2.166 CCC1CCCCCN1C2CCC(=O)C2 Amb27611366 [0,0,0,2,0,0|2,0,0]=4 423 B16R2.477 O=C(O)CCC1CCC2CCCCC2C1 Amb33470073 [0,0,0,2,0,0|0,0,0]=2 424 B16R2.477 O=C(O)CCC1CN2CCCCC2CN1 Amb18771726 [0,0,0,2,0,0|2,0,0]=4 425 B16R2.477 O=C(O)CCN1CCC2CCCCC2C1 Amb9260969 [0,0,0,2,0,0|1,0,0]=3 426 B16R2.477 O=C(O)\C=C\C1CCC2CCCCC2C1 Amb33470039 [0,0,0,2,0,0|0,0,2]=4 427 B16R2.2455 CCC1CCCCC12CNCC2C(=O)O Amb24437139 [0,0,0,2,0,0|1,0,0]=3 428 B16R2.7885 O=C(O)C1CCC1N2CCCCC2CO Amb28056770 [0,0,0,2,0,0|2,0,0]=4 429 B16R2.83538 CC1C(CC(=O)O)NCC2CCCCN21 Amb18771723 [0,0,0,2,0,0|2,0,0]=4 430 B16R2.168 CCC1CCCN1CC2CCCC(=O)C2 Amb30013937 [0,0,0,2,0,0|2,0,0]=4 431 B16R2.6028 CCC1COCC1N2CCCC2C(=O)O Amb35646814 [0,0,0,2,0,0|2,0,0]=4 432 B16R2.252 O=C1CCCC(CCC2CCCCC2)C1 Amb27660078 [0,0,0,2,0,0|1,0,0]=3 433 B16R2.252 O=C1CCCC(CCC2CCCCO2)C1 Amb30036342 [0,0,0,2,0,0|2,0,0]=4 434 B16R2.252 O=C1CCCC(COC2CCCCC2)C1 Amb35699127 [0,0,0,2,0,0|2,0,0]=4 435 B16R2.252 O=C1CCCC(CSC2CCCCC2)C1 Amb35699405 [0,0,0,2,0,0|2,0,0]=4 436 B16R2.252 O=C1CCOC(CCC2CCCCC2)C1 Amb27192132 [0,0,0,2,0,0|2,0,0]=4 437 B16R2.1505 CCC1CCCCCC12CC(=O)CCO2 Amb35734064 [0,0,0,2,0,0|2,0,0]=4 438 B16R2.2923 CC1CCCCN1CC2CCCC(=O)C2 Amb30013927 [0,0,0,2,0,0|2,0,0]=4 439 B16R2.11867 O=C1CCCC(N2CCCCCCC2)C1 Amb27872035 [0,0,0,2,0,0|2,0,0]=4 440 B16R2.11867 O=C1CCOC(C2CCCCCCC2)C1 Amb27611062 [0,0,0,2,0,0|2,0,0]=4 441 B16R2.11928 O=C1CCCC(CN2CCCCCC2)C1 Amb30013930 [0,0,0,2,0,0|2,0,0]=4 442 B16R2.3265 CC1CCCCC1C2CNCC2C(=O)O Amb25975060 [0,0,0,2,0,0|1,0,0]=3 443 B16R2.3265 CC1CCCCC1N2CCCC2C(=O)O Amb26658248 [0,0,0,2,0,0|1,0,0]=3 444 B16R2.3265 O=C(O)C1CCCN1C2CCCCC2O Amb27795661 [0,0,0,2,0,0|2,0,0]=4 445 B16R2.87 O=C(O)C1CCCCC1N2CCOCC2 Amb18967368 [0,0,0,2,0,0|2,0,0]=4 446 B16R2.87 O=C(O)C1CCCCN1C2CCCCC2 Amb9300035 [0,0,0,2,0,0|1,0,0]=3 447 B16R2.87 O=C(O)C1CCCCN1C2CCCNC2 Amb18175486 [0,0,0,2,0,0|2,0,0]=4 448 B16R2.87 O=C(O)C1CCCCN1C2CCCOC2 Amb18771433 [0,0,0,2,0,0|2,0,0]=4 449 B16R2.87 O=C(O)C1CCCCN1C2CCOCC2 Amb24655565 [0,0,0,2,0,0|2,0,0]=4 450 B16R2.87 O=C(O)C1CCCCN1C2CCSCC2 Amb18754350 [0,0,0,2,0,0|2,0,0]=4 451 B16R2.87 O=C(O)C1CCCNC1C2CCCCC2 Amb33275988 [0,0,0,2,0,0|1,0,0]=3 452 B16R2.87 O=C(O)C1CCCNC1C2CCCNC2 Amb33275553 [0,0,0,2,0,0|2,0,0]=4 453 B16R2.87 O=C(O)C1CCCNC1C2CCNCC2 Amb33275621 [0,0,0,2,0,0|2,0,0]=4 454 B16R2.87 O=C(O)C1CCCNC1C2CCOCC2 Amb33275910 [0,0,0,2,0,0|2,0,0]=4 455 B16R2.87 O=C(O)C1CCCOC1C2CCCCO2 Amb35638049 [0,0,0,2,0,0|2,0,0]=4 456 B16R2.87 O=C(O)C1CCCOC1C2CCOCC2 Amb27603178 [0,0,0,2,0,0|2,0,0]=4 457 B16R2.87 O=C(O)C1CCNCC1C2CCCCC2 Amb33275995 [0,0,0,2,0,0|1,0,0]=3 458 B16R2.87 O=C(O)C1CCNCC1C2CCCNC2 Amb33275555 [0,0,0,2,0,0|2,0,0]=4 459 B16R2.87 O=C(O)C1CCNCC1C2CCNCC2 Amb33275623 [0,0,0,2,0,0|2,0,0]=4 460 B16R2.87 O=C(O)C1CCNCC1C2CCOCC2 Amb33275912 [0,0,0,2,0,0|2,0,0]=4 461 B16R2.87 O=C(O)C1CNCCC1C2CCCCC2 Amb18772518 [0,0,0,2,0,0|1,0,0]=3 462 B16R2.87 O=C(O)C1CNCCC1C2CCCNC2 Amb33275531 [0,0,0,2,0,0|2,0,0]=4 463 B16R2.87 O=C(O)C1CNCCC1C2CCNCC2 Amb33275646 [0,0,0,2,0,0|2,0,0]=4 464 B16R2.87 O=C(O)C1CNCCC1C2CCOCC2 Amb18175054 [0,0,0,2,0,0|2,0,0]=4 465 B16R2.87 O=C(O)C1CNCCC1N2CCCCC2 Amb18771758 [0,0,0,2,0,0|2,0,0]=4 466 B16R2.87 O=C(O)C1NCCCC1C2CCCCC2 Amb33275987 [0,0,0,2,0,0|1,0,0]=3 467 B16R2.87 O=C(O)C1NCCCC1C2CCCNC2 Amb33275539 [0,0,0,2,0,0|2,0,0]=4 468 B16R2.87 O=C(O)C1NCCCC1C2CCNCC2 Amb33275610 [0,0,0,2,0,0|2,0,0]=4 469 B16R2.87 O=C(O)C1NCCCC1C2CCOCC2 Amb33275902 [0,0,0,2,0,0|2,0,0]=4 470 B16R2.87 O=C(O)[C@@H]1CCCN[C@H]1C2CCCCC2 Amb18175904 [0,0,0,2,0,0|1,0,0]=3 471 B16R2.498 CC(=O)C1CCCCN1CC2CCCC2 Amb27171178 [0,0,0,2,0,0|2,0,0]=4 472 B16R2.498 O=C(O)C1CCCCC1CC2CC=CC2 Amb35630240 [0,0,0,2,0,0|0,0,2]=4 473 B16R2.498 O=C(O)C1CCCCC1CC2CCCC2 Amb27881237 [0,0,0,2,0,0|0,0,0]=2 474 B16R2.498 O=C(O)C1CCCCN1CC2CCOC2 Amb18291576 [0,0,0,2,0,0|2,0,0]=4 475 B16R2.498 O=C(O)C1CCCOC1CC2CCCC2 Amb27965188 [0,0,0,2,0,0|1,0,0]=3 476 B16R2.3033 CC1CCCC1N2CCCCC2C(=O)O Amb27869024 [0,0,0,2,0,0|1,0,0]=3 477 B16R2.3033 CC1COCC1N2CCCCC2C(=O)O Amb35635905 [0,0,0,2,0,0|2,0,0]=4 478 B16R2.3033 CC1OCCC1N2CCCCC2C(=O)O Amb27774232 [0,0,0,2,0,0|2,0,0]=4 479 B16R2.161 O=C(O)CC1CCCC1N2CCCCC2 Amb18772554 [0,0,0,2,0,0|1,0,0]=3 480 B16R2.161 O=C(O)CC1CCCC1N2CCOCC2 Amb18771432 [0,0,0,2,0,0|2,0,0]=4 481 B16R2.161 O=C(O)CC1CCCN1C2CCCCC2 Amb18977154 [0,0,0,2,0,0|1,0,0]=3 482 B16R2.161 O=C(O)C[C@@H]1CCC[C@H]1N2CCCCC2 Amb35715896 [0,0,0,2,0,0|1,0,0]=3 483 B16R2.161 O=C(O)C[C@@H]1CCC[C@H]1N2CCOCC2 Amb35715905 [0,0,0,2,0,0|2,0,0]=4 484 B16R2.161 O=C(O)C[C@@H]1CCN[C@H]1C2CCCCC2 Amb18772530 [0,0,0,2,0,0|1,0,0]=3 485 B16R2.3214 CC1CCCN1C2CCCC2CC(=O)O Amb35716038 [0,0,0,2,0,0|1,0,0]=3 486 B16R2.3214 CC1CCCN1[C@@H]2CCC[C@H]2CC(=O)O Amb35715904 [0,0,0,2,0,0|1,0,0]=3 487 B16R2.3214 CC1COCC1N2CCCC2CC(=O)O Amb35635904 [0,0,0,2,0,0|2,0,0]=4 488 B16R2.3214 O=C(O)CC1CCCN1C2CCCC2O Amb27773549 [0,0,0,2,0,0|2,0,0]=4 489 B16R2.4007 CC1OCCC1SC2CCCC2C(=O)O Amb27646058 [0,0,0,2,0,0|2,0,0]=4 490 B16R2.4007 CN1CCCC1CN2CCCC2C(=O)O Amb27858432 [0,0,0,2,0,0|2,0,0]=4 491 B16R2.27215 O=C(O)CCN1CCCN2CCCC2C1 Amb28323842 [0,0,0,2,0,0|2,0,0]=4 492 B16R2.14939 O=C1NCCCCCCNC2CCCC12 Amb28723734 [0,0,0,2,0,0|2,0,0]=4 493 B16R2.14939 O=C1NCCCCCCN[C@@H]2CCC[C@H]12 Amb29073073 [0,0,0,2,0,0|2,0,0]=4 494 B16R2.143516 O=C(O)CC1CCCN2CCCCCC12 Amb18772523 [0,0,0,2,0,0|1,0,0]=3 495 B16R2.143516 O=C(O)CC1CCOC2CCCCCC12 Amb18771774 [0,0,0,2,0,0|1,0,0]=3 496 B16R2.14343 CC1CCCCCC12CNCC2C(=O)O Amb35734030 [0,0,0,2,0,0|1,0,0]=3 497 B16R2.14343 CC1CCCCCC12CNCC2C(N)=O Amb35734036 [0,0,0,2,0,0|2,0,0]=4 498 B16R2.23276 CC1CCCCCN1C2CCC2C(=O)O Amb28046011 [0,0,0,2,0,0|1,0,0]=3 499 B16R2.470 O=C(O)CCC1CCCC1N2CCCC2 Amb18772552 [0,0,0,2,0,0|1,0,0]=3 500 B16R2.496 O=C(O)C1CCCCCC1C2CCSC2 Amb35704941 [0,0,0,2,0,0|1,0,0]=3 501 B16R2.496 O=C(O)C1CCCCCC1N2CCCC2 Amb18967366 [0,0,0,2,0,0|1,0,0]=3 502 B16R2.496 O=C(O)C1CCCCCN1C2CCSC2 Amb27952336 [0,0,0,2,0,0|2,0,0]=4 503 B16R2.509 O=C(O)C1CNCC1CCC2CCCC2 Amb33470470 [0,0,0,2,0,0|1,0,0]=3 504 B16R2.518 CC(=O)CC1CCCCN1C2CCCC2 Amb27792800 [0,0,0,2,0,0|2,0,0]=4 505 B16R2.518 O=C(O)CC1CCCCC1N2CCCC2 Amb18772557 [0,0,0,2,0,0|1,0,0]=3 506 B16R2.518 O=C(O)CC1CCCCN1C2CCOC2 Amb27861673 [0,0,0,2,0,0|2,0,0]=4 507 B16R2.518 O=C(O)CC1COCCN1C2CCCC2 Amb27436955 [0,0,0,2,0,0|2,0,0]=4 508 B16R2.518 O=C(O)CC1CSCCN1C2CCCC2 Amb27482177 [0,0,0,2,0,0|2,0,0]=4 509 B16R2.518 O=C(O)C[C@@H]1CCCN[C@H]1C2CCCC2 Amb18175902 [0,0,0,2,0,0|1,0,0]=3 510 B16R2.12141 O=C1C=C(CCC2CCCC2)CCCC1 Amb27850912 [0,0,0,2,0,0|1,0,1]=4 511 B16R2.12141 O=C1CCCCC(CCC2CCOC2)C1 Amb27780318 [0,0,0,2,0,0|2,0,0]=4 512 B16R2.160 O=C(O)CC1CCOCC12CCCOC2 Amb18172392 [0,0,0,2,0,0|2,0,0]=4 513 B16R2.160 O=C(O)CC1CCOCC12CCOCC2 Amb18172382 [0,0,0,2,0,0|2,0,0]=4 514 B16R2.464 O=C(O)C1CCCC1CC2CC=CCC2 Amb35714549 [0,0,0,2,0,0|0,0,2]=4 515 B16R2.464 O=C(O)C1CCCC1CC2CCOCC2 Amb27852578 [0,0,0,2,0,0|1,0,0]=3 516 B16R2.464 O=C(O)C1CCCC1SC2CCOCC2 Amb18303090 [0,0,0,2,0,0|2,0,0]=4 517 B16R2.464 O=C(O)C1CCCN1CC2CCCSC2 Amb27860038 [0,0,0,2,0,0|2,0,0]=4 518 B16R2.464 O=C(O)C1CCOC1CC2CCCCC2 Amb27167093 [0,0,0,2,0,0|1,0,0]=3 519 B16R2.464 O=C(O)C1CNCC1CC2CCCCC2 Amb27869249 [0,0,0,2,0,0|1,0,0]=3 520 B16R2.464 O=C(O)[C@@H]1CCC[C@@H]1NC2CCCCC2 Amb35659626 [0,0,0,2,0,0|1,0,0]=3 521 B16R2.179941 CC(=O)CCN1CCCC2CCCCC21 Amb9260963 [0,0,0,2,0,0|2,0,0]=4 522 B16R2.179941 O=C(O)CC[C@@H]1CCCN2CCCC[C@@H]12 Amb34915547 [0,0,0,2,0,0|1,0,0]=3 523 B16R2.179941 O=C(O)CC[C@@H]1CCCN2CCCC[C@H]12 Amb10607576 [0,0,0,2,0,0|1,0,0]=3 524 B16R2.179941 O=C(O)CC[C@@H]1CCCN2CCCC[C@H]12 Amb22586870 [0,0,0,2,0,0|1,0,0]=3 525 B16R2.643 CCCC1COCC12CNCC2C(=O)O Amb35647003 [0,0,0,2,0,0|2,0,0]=4 526 B16R2.98720 NC1CCN2CCCCCC2C1C(=O)O Amb18175560 [0,0,0,2,0,0|2,0,0]=4 527 B16R2.333 CC1NCC2CCCCN2C1CC(=O)O Amb18771724 [0,0,0,2,0,0|2,0,0]=4 528 B16R2.3529 O=C(O)C1CC2CCCCC2N1CCO Amb27784000 [0,0,0,2,0,0|2,0,0]=4 529 B16R2.13582 O=C1CC2CCCCCCCCCCC12 Amb27830440 [0,0,0,2,0,0|1,0,0]=3 530 B16R2.13582 O=C1NC2CCCCCCCCCCC12 Amb33193014 [0,0,0,2,0,0|1,0,0]=3 531 B16R2.27629 NC(=O)C1CNCC12CCCCCCC2 Amb27444043 [0,0,0,2,0,0|2,0,0]=4 532 B16R2.27629 O=C(O)C1CNCC12CCCCCCC2 Amb27596252 [0,0,0,2,0,0|1,0,0]=3 533 B16R2.27657 O=C(O)C1CCCC1C2CCCCCC2 Amb27636342 [0,0,0,2,0,0|0,0,0]=2 534 B16R2.27657 O=C(O)C1CCCC1N2CCCOCC2 Amb18967376 [0,0,0,2,0,0|2,0,0]=4 535 B16R2.27657 O=C(O)C1CCCN1C2CCCCCC2 Amb28142697 [0,0,0,2,0,0|1,0,0]=3 536 B16R2.27657 O=C(O)C1CCCN1C2CCCSCC2 Amb29860667 [0,0,0,2,0,0|2,0,0]=4 537 B16R2.27657 O=C(O)C1CNCC1C2CCCCCC2 Amb25288782 [0,0,0,2,0,0|1,0,0]=3 538 B16R2.27657 O=C(O)C1NCCC1C2CCCCCC2 Amb27251431 [0,0,0,2,0,0|1,0,0]=3 539 B16R2.27657 O=C(O)[C@@H]1CCC[C@@H]1N2CCCCCC2 Amb35659627 [0,0,0,2,0,0|1,0,0]=3 540 B16R2.145585 O=C(O)C1CCCCCCN1C2CCC2 Amb28185227 [0,0,0,2,0,0|1,0,0]=3 541 B16R2.145585 O=C(O)C1CCCCCCN1C2COC2 Amb35678147 [0,0,0,2,0,0|2,0,0]=4 542 B16R2.142887 O=C(O)C1CCCCCCN1CC2CC2 Amb27842655 [0,0,0,2,0,0|1,0,0]=3 543 B16R2.145427 O=C(O)C1CCN1C2CCCCCCC2 Amb35709473 [0,0,0,2,0,0|1,0,0]=3 544 B16R2.142995 O=C(O)C1CCC1NC2CCCSCC2 Amb35718600 [0,0,0,2,0,0|2,0,0]=4 545 B16R2.142995 O=C(O)C1CCN1CC2CCCSCC2 Amb29884378 [0,0,0,2,0,0|2,0,0]=4