0 B8R0.8 C#CCCC(=O)C(O)=O Amb24657416 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C#CCCC(N)C(N)=O Amb25703121 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 C#CCC[C@@H](N)C(N)=O Amb25368154 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 C#CCC[C@@H](N)C(O)=O Amb24088809 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.8 C#CCC[C@H](N)C(O)=O Amb24088866 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.8 C=C(CCC=C)C(O)=O Amb18642395 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.8 C=C(CCCN)C(O)=O Amb18642697 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.8 C=C(CCON)C(O)=O Amb25859256 [0,0,0,0,0,0|2,1,1]=4 8 B8R0.8 C=C=CCC(N)C(N)=O Amb24381912 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.8 C=C=CCC(N)C(O)=O Amb25843448 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.8 C=C=CC[C@H](N)C(O)=O Amb24355608 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.8 C=CCCC(=O)C(O)=O Amb25738669 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.8 C=CCCC(Cl)C(O)=O Amb25041973 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.8 C=CCCC(N)C(N)=O Amb24333721 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.8 C=CCCC(N)C(O)=O Amb24383848 [0,0,0,0,0,0|1,0,1]=2 15 B8R0.8 C=CCC[C@@H](N)C(O)=O Amb23439045 [0,0,0,0,0,0|1,0,1]=2 16 B8R0.8 C=CCOC(F)C(O)=O Amb24478688 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.8 C=C\C=C\C(N)C(O)=O Amb24476635 [0,0,0,0,0,0|1,0,3]=4 18 B8R0.8 CC#CCC(N)C(N)=O Amb25793338 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.8 CC#CCC(N)C(O)=O Amb18988250 [0,0,0,0,0,0|1,0,1]=2 20 B8R0.8 CC#CCC(O)C(O)=O Amb25213344 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.8 CC#CC[C@@H](C)C(O)=O Amb24589724 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.8 CC#CC[C@@H](N)C(N)=O Amb25324867 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.8 CC#CC[C@@H](N)C(O)=O Amb22746783 [0,0,0,0,0,0|1,0,1]=2 24 B8R0.8 CC#CC[C@H](O)C(C)=O Amb24340259 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.8 CC(=C)C(=O)CCSC Amb25830271 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.8 CC(=O)C(Br)CCCO Amb25146214 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.8 CC(=O)C(Cl)CCC#N Amb25116247 [0,0,0,0,0,0|4,0,0]=4 28 B8R0.8 CC(=O)C(Cl)CCCCl Amb24340131 [0,0,0,0,0,0|4,0,0]=4 29 B8R0.8 CC(=O)C(O)CCCO Amb24364072 [0,0,0,0,0,0|4,0,0]=4 30 B8R0.8 CC(C(=O)O)CNCC Amb13952782 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.8 CC(C(=O)O)SCCN Amb17500447 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.8 CC(C)C(N)CCOC Amb18523844 [0,0,0,0,0,0|2,1,1]=4 33 B8R0.8 CC(C)C(O)CCSC Amb24723193 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.8 CC(C)[C@H](N)CCCC Amb25103904 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.8 CC(CCC#N)C(N)=O Amb18642432 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.8 CC(CCC#N)C(O)=O Amb24462559 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.8 CC(CCC=C)C(O)=O Amb18642656 [0,0,0,0,0,0|2,0,1]=3 38 B8R0.8 CC(CCC=O)C(C)=O Amb18642650 [0,0,0,0,0,0|4,0,0]=4 39 B8R0.8 CC(CCC=O)C(O)=O Amb18642767 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.8 CC(CCCBr)C(=O)Cl Amb24722839 [0,0,0,0,0,0|4,0,0]=4 41 B8R0.8 CC(CCCBr)C(C)=O Amb25362168 [0,0,0,0,0,0|4,0,0]=4 42 B8R0.8 CC(CCCBr)C(O)=O Amb25321670 [0,0,0,0,0,0|3,0,0]=3 43 B8R0.8 CC(CCCF)C(O)=O Amb25244585 [0,0,0,0,0,0|3,0,0]=3 44 B8R0.8 CC(CCCN)C(C)=O Amb25774001 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.8 CC(CCCN)C(O)=O Amb25146072 [0,0,0,0,0,0|3,0,0]=3 46 B8R0.8 CC(CCCO)C(=O)S Amb25221473 [0,0,0,0,0,0|3,1,0]=4 47 B8R0.8 CC(CCCS)C(C)=O Amb25807409 [0,0,0,0,0,0|4,0,0]=4 48 B8R0.8 CC(CCSC)C(C)Cl Amb24481619 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.8 CC(CN=[N+]=[N-])C(O)=O Amb25786485 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.8 CC(CNC=O)C(O)=O Amb18299693 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.8 CC(N)C(N)CCCC Amb25162797 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.8 CC(N)C(O)CCSC Amb25786925 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.8 CC(NCCCl)C(O)=O Amb25145942 [0,0,0,0,0,0|4,0,0]=4 54 B8R0.8 CC(NCCN)C(O)=O Amb18523860 [0,0,0,0,0,0|4,0,0]=4 55 B8R0.8 CC(O)C(N)CCCC Amb24351619 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.8 CC(O)C(O)CCCC Amb25128970 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.8 CC(OCCCl)C(O)=O Amb24481693 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.8 CC(OCCN)C(O)=O Amb18630157 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.8 CC(OCCN)C(O)=O Amb22546285 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.8 CC(SCCF)C(O)=O Amb25314013 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.8 CCC#CC(O)C(O)=O Amb25245439 [0,0,0,0,0,0|2,0,2]=4 62 B8R0.8 CCCCC(=C)C(N)=O Amb24574376 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.8 CCCCC(=C)C(O)=O Amb18642649 [0,0,0,0,0,0|2,0,1]=3 64 B8R0.8 CCCCC(=O)C(O)=O Amb18642761 [0,0,0,0,0,0|2,0,1]=3 65 B8R0.8 CCCCC(=O)C(O)=O Amb22348245 [0,0,0,0,0,0|2,0,1]=3 66 B8R0.8 CCCCC(Br)C(=O)Br Amb22347914 [0,0,0,0,0,0|3,0,0]=3 67 B8R0.8 CCCCC(Br)C(C)=C Amb25718999 [0,0,0,0,0,0|4,0,0]=4 68 B8R0.8 CCCCC(Br)C(N)=N Amb25109246 [0,0,0,0,0,0|4,0,0]=4 69 B8R0.8 CCCCC(Br)C(N)=O Amb19514624 [0,0,0,0,0,0|3,0,0]=3 70 B8R0.8 CCCCC(Br)[N+]([O-])=O Amb24626944 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.8 CCCCC(C(=O)C)N Amb1099238 [0,0,0,0,0,0|2,0,0]=2 72 B8R0.8 CCCCC(C(=O)Cl)Br Amb17569836 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.8 CCCCC(C(=O)O)Cl Amb17593750 [0,0,0,0,0,0|2,0,0]=2 74 B8R0.8 CCCCC(C)C(N)=N Amb24452705 [0,0,0,0,0,0|4,0,0]=4 75 B8R0.8 CCCCC(Cl)B(O)O Amb25102593 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.8 CCCCC(Cl)C(=O)Cl Amb24634189 [0,0,0,0,0,0|3,0,0]=3 77 B8R0.8 CCCCC(F)C(O)=O Amb25238781 [0,0,0,0,0,0|2,0,0]=2 78 B8R0.8 CCCCC(I)C(C)=O Amb25314130 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.8 CCCCC(N)C(C)=C Amb24353636 [0,0,0,0,0,0|3,0,0]=3 80 B8R0.8 CCCCC(N)C(C)=O Amb22284085 [0,0,0,0,0,0|2,0,0]=2 81 B8R0.8 CCCCC(N)C(N)=O Amb18303664 [0,0,0,0,0,0|2,0,0]=2 82 B8R0.8 CCCCC(N)C(N)=S Amb24764229 [0,0,0,0,0,0|2,1,0]=3 83 B8R0.8 CCCCC(N)P(O)O Amb24433379 [0,0,0,0,0,0|2,0,1]=3 84 B8R0.8 CCCCC(O)C(=C)Cl Amb24379883 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.8 CCCCC(O)C(N)=O Amb24116640 [0,0,0,0,0,0|3,0,0]=3 86 B8R0.8 CCCCC(S)C(O)=O Amb25323873 [0,0,0,0,0,0|2,0,0]=2 87 B8R0.8 CCCCN(Cl)C(N)=O Amb25147019 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.8 CCCCN(N)C(N)=S Amb24383128 [0,0,0,0,0,0|3,1,0]=4 89 B8R0.8 CCCC[C@@H](Br)C(=O)Cl Amb24695956 [0,0,0,0,0,0|3,0,0]=3 90 B8R0.8 CCCC[C@@H](Br)C(O)=O Amb24377169 [0,0,0,0,0,0|2,0,0]=2 91 B8R0.8 CCCC[C@@H](C(=O)O)N Amb1995007 [0,0,0,0,0,0|1,0,0]=1 92 B8R0.8 CCCC[C@@H](C)C(C)=O Amb25318801 [0,0,0,0,0,0|3,0,0]=3 93 B8R0.8 CCCC[C@@H](C)C(O)=O Amb24590691 [0,0,0,0,0,0|2,0,0]=2 94 B8R0.8 CCCC[C@@H](C)[C@@H](C)O Amb24332094 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.8 CCCC[C@@H](N)C(N)=O Amb23438981 [0,0,0,0,0,0|2,0,0]=2 96 B8R0.8 CCCC[C@@H](S)C(O)=O Amb24478188 [0,0,0,0,0,0|2,0,0]=2 97 B8R0.8 CCCC[C@H](C(=O)O)N Amb1995006 [0,0,0,0,0,0|1,0,0]=1 98 B8R0.8 CCCC[C@H](C)C(C)=O Amb25767789 [0,0,0,0,0,0|3,0,0]=3 99 B8R0.8 CCCC[C@H](C)C(O)=O Amb25850678 [0,0,0,0,0,0|2,0,0]=2 100 B8R0.8 CCCC[C@H](N)C(N)=O Amb25361837 [0,0,0,0,0,0|2,0,0]=2 101 B8R0.8 CCCC[C@H](O)C(C)=O Amb24691364 [0,0,0,0,0,0|3,0,0]=3 102 B8R0.8 CCCNC(C)C(C)=O Amb18642716 [0,0,0,0,0,0|4,0,0]=4 103 B8R0.8 CCCOC(=C)C(O)=O Amb18642781 [0,0,0,0,0,0|3,0,1]=4 104 B8R0.8 CCCO[C@H](C)C(O)=O Amb25721817 [0,0,0,0,0,0|3,0,0]=3 105 B8R0.8 CCC\C=C(/N)\C(N)=O Amb25146004 [0,0,0,0,0,0|2,0,2]=4 106 B8R0.8 CCC\C=C(\N)/C(N)=O Amb24515061 [0,0,0,0,0,0|2,0,2]=4 107 B8R0.8 CCNCC(=C)C(O)=O Amb24368916 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.8 CCNCC(C)C(C)=O Amb18642729 [0,0,0,0,0,0|4,0,0]=4 109 B8R0.8 CCNCC(N)C(N)=O Amb25841908 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.8 CCOCC(C)C(C)=O Amb24621069 [0,0,0,0,0,0|4,0,0]=4 111 B8R0.8 CCOCC(Cl)C(O)=O Amb24481790 [0,0,0,0,0,0|3,0,0]=3 112 B8R0.8 CCOCC(O)C(O)=O Amb25804394 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.8 CCOC[C@@H](C)C(O)=O Amb25790635 [0,0,0,0,0,0|3,0,0]=3 114 B8R0.8 CCOC[C@H](N)C(O)=O Amb22737184 [0,0,0,0,0,0|2,0,0]=2 115 B8R0.8 CCOC[C@H](N)C(O)=O Amb24478577 [0,0,0,0,0,0|2,0,0]=2 116 B8R0.8 CCOC[C@H](O)C(O)=O Amb24340099 [0,0,0,0,0,0|3,0,0]=3 117 B8R0.8 CCSCC(=O)C(O)=O Amb24670679 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.8 CCSCC(N)C(N)=O Amb24761235 [0,0,0,0,0,0|3,0,0]=3 119 B8R0.8 CCSC[C@@H](N)C(O)=O Amb22800347 [0,0,0,0,0,0|2,0,0]=2 120 B8R0.8 CCSC[C@H](N)C(N)=O Amb24393154 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.8 CC\C=C\C(C)C(O)=O Amb18642633 [0,0,0,0,0,0|2,0,2]=4 122 B8R0.8 CC\C=C\C(N)C(O)=O Amb18642708 [0,0,0,0,0,0|1,0,2]=3 123 B8R0.8 CN(C(=O)Cl)CCCC Amb17563097 [0,0,0,0,0,0|4,0,0]=4 124 B8R0.8 CNCCC(C)C(O)=O Amb24641803 [0,0,0,0,0,0|2,0,0]=2 125 B8R0.8 CNCCC(C)S(C)=O Amb24481747 [0,0,0,0,0,0|4,0,0]=4 126 B8R0.8 CNCCC(O)C(O)=O Amb24540612 [0,0,0,0,0,0|2,0,0]=2 127 B8R0.8 CNCCN(C)C(C)=O Amb20669225 [0,0,0,0,0,0|4,0,0]=4 128 B8R0.8 CNCC[C@H](N)C(O)=O Amb24427654 [0,0,0,0,0,0|1,0,0]=1 129 B8R0.8 COCCC(C)C(N)=O Amb24760323 [0,0,0,0,0,0|2,1,0]=3 130 B8R0.8 COCCC(C)C(N)=S Amb25320570 [0,0,0,0,0,0|2,2,0]=4 131 B8R0.8 COCCC(C)C(O)=O Amb18523823 [0,0,0,0,0,0|1,1,0]=2 132 B8R0.8 COCCC(Cl)C(C)=O Amb25707829 [0,0,0,0,0,0|2,1,0]=3 133 B8R0.8 COCCC(N)C(C)=C Amb24532850 [0,0,0,0,0,0|2,1,0]=3 134 B8R0.8 COCCC(N)C(C)=O Amb24496676 [0,0,0,0,0,0|1,1,0]=2 135 B8R0.8 COCCC(N)C(N)=O Amb18311365 [0,0,0,0,0,0|1,1,0]=2 136 B8R0.8 COCCC(O)C(=O)Cl Amb25781911 [0,0,0,0,0,0|2,1,0]=3 137 B8R0.8 COCCN(C)C(C)=O Amb24072025 [0,0,0,0,0,0|3,1,0]=4 138 B8R0.8 COCC[C@@H](C(=O)O)N Amb16183872 [0,0,0,0,0,0|0,1,0]=1 139 B8R0.8 COCC[C@H](C(=O)O)N Amb16183870 [0,0,0,0,0,0|0,1,0]=1 140 B8R0.8 COCC[C@H](C)C(O)=O Amb24392969 [0,0,0,0,0,0|1,1,0]=2 141 B8R0.8 COCC[C@H](N)C(O)=O Amb24054991 [0,0,0,0,0,0|0,1,0]=1 142 B8R0.8 COCOC(C)C(C)=O Amb24563208 [0,0,0,0,0,0|3,1,0]=4 143 B8R0.8 COCO[C@@H](C)C(C)=O Amb25096675 [0,0,0,0,0,0|3,1,0]=4 144 B8R0.8 COCO[C@@H](C)C(O)=O Amb25682837 [0,0,0,0,0,0|2,1,0]=3 145 B8R0.8 COCO[C@H](C)C(O)=O Amb25706272 [0,0,0,0,0,0|2,1,0]=3 146 B8R0.8 COC\C=C(\Br)/C(O)=O Amb24580462 [0,0,0,0,0,0|1,1,2]=4 147 B8R0.8 CONCC(C)C(N)=O Amb24440524 [0,0,0,0,0,0|3,1,0]=4 148 B8R0.8 CONCC(N)C(O)=O Amb24392137 [0,0,0,0,0,0|1,1,0]=2 149 B8R0.8 CONC[C@H](N)C(O)=O Amb25376688 [0,0,0,0,0,0|1,1,0]=2 150 B8R0.8 CO\C=C/C(C)C(O)=O Amb18642780 [0,0,0,0,0,0|1,1,2]=4 151 B8R0.8 CO\C=C\C(C)C(O)=O Amb25188040 [0,0,0,0,0,0|1,1,2]=4 152 B8R0.8 CO\C=C\C(N)C(O)=O Amb18642835 [0,0,0,0,0,0|0,1,2]=3 153 B8R0.8 CO\C=C\[C@H](N)C(O)=O Amb24478831 [0,0,0,0,0,0|0,1,2]=3 154 B8R0.8 CPOCC(N)C(O)=O Amb24423934 [0,0,0,0,0,0|2,0,0]=2 155 B8R0.8 CSCCC(=O)C(O)=O Amb18643588 [0,0,0,0,0,0|1,0,1]=2 156 B8R0.8 CSCCC(=O)C(O)=O Amb22274154 [0,0,0,0,0,0|1,0,1]=2 157 B8R0.8 CSCCC(Br)C(O)=O Amb24682715 [0,0,0,0,0,0|1,0,0]=1 158 B8R0.8 CSCCC(C(=O)Cl)N Amb17142908 [0,0,0,0,0,0|1,0,0]=1 159 B8R0.8 CSCCC(C(=O)N)N Amb17142872 [0,0,0,0,0,0|1,0,0]=1 160 B8R0.8 CSCCC(C(=O)O)N Amb1154122 [0,0,0,0,0,0|0,0,0]=0 161 B8R0.8 CSCCC(C)C(C)=O Amb24650560 [0,0,0,0,0,0|2,0,0]=2 162 B8R0.8 CSCCC(C)C(O)=O Amb24739356 [0,0,0,0,0,0|1,0,0]=1 163 B8R0.8 CSCCC(Cl)C(N)=O Amb18185555 [0,0,0,0,0,0|2,0,0]=2 164 B8R0.8 CSCCC(N)C(=O)S Amb24407336 [0,0,0,0,0,0|0,1,0]=1 165 B8R0.8 CSCCC(N)C(C)=C Amb25042760 [0,0,0,0,0,0|2,0,0]=2 166 B8R0.8 CSCCC(N)C(O)=O Amb22168296 [0,0,0,0,0,0|0,0,0]=0 167 B8R0.8 CSCCC(N)C(O)=O Amb22732346 [0,0,0,0,0,0|0,0,0]=0 168 B8R0.8 CSCCC(N)P(O)=O Amb25362071 [0,0,0,0,0,0|1,0,0]=1 169 B8R0.8 CSCCC(N)P(O)O Amb24594969 [0,0,0,0,0,0|1,0,1]=2 170 B8R0.8 CSCCC(N)[13C](O)=O Amb22336208 [0,0,0,0,0,0|0,0,0]=0 171 B8R0.8 CSCCC(O)C(C)=O Amb24741882 [0,0,0,0,0,0|2,0,0]=2 172 B8R0.8 CSCCC(O)C(F)F Amb25699236 [0,0,0,0,0,0|3,0,1]=4 173 B8R0.8 CSCCC(O)C(N)=O Amb20669403 [0,0,0,0,0,0|2,0,0]=2 174 B8R0.8 CSCCC(O)C(O)=O Amb18304609 [0,0,0,0,0,0|1,0,0]=1 175 B8R0.8 CSCCN(C)C(=O)Cl Amb25214303 [0,0,0,0,0,0|3,0,0]=3 176 B8R0.8 CSCCN(C)C(C)=N Amb25198272 [0,0,0,0,0,0|4,0,0]=4 177 B8R0.8 CSCCN(C)C(C)=O Amb24096774 [0,0,0,0,0,0|3,0,0]=3 178 B8R0.8 CSCCN(C)C(C)=S Amb24096775 [0,0,0,0,0,0|3,1,0]=4 179 B8R0.8 CSCCN(C)C(N)=N Amb24419635 [0,0,0,0,0,0|4,0,0]=4 180 B8R0.8 CSCC[C@@H](Cl)C(=O)Cl Amb24544524 [0,0,0,0,0,0|2,0,0]=2 181 B8R0.8 CSCC[C@@H](N)C(N)=O Amb18035930 [0,0,0,0,0,0|1,0,0]=1 182 B8R0.8 CSCC[C@@H](N)C(N)=O Amb22750575 [0,0,0,0,0,0|1,0,0]=1 183 B8R0.8 CSCC[C@@H](O)C(O)=O Amb25124092 [0,0,0,0,0,0|1,0,0]=1 184 B8R0.8 CSCC[C@@H](S)C(O)=O Amb24340077 [0,0,0,0,0,0|1,0,0]=1 185 B8R0.8 CSCC[C@H](Br)C(O)=O Amb25239326 [0,0,0,0,0,0|1,0,0]=1 186 B8R0.8 CSCC[C@H](Cl)C(=O)Cl Amb25135376 [0,0,0,0,0,0|2,0,0]=2 187 B8R0.8 CSCC[C@H](N)C(O)=O Amb17942996 [0,0,0,0,0,0|0,0,0]=0 188 B8R0.8 CSCC[C@H](N)C(O)=O Amb22351191 [0,0,0,0,0,0|0,0,0]=0 189 B8R0.8 CSCC[C@H](N)P(O)=O Amb25826489 [0,0,0,0,0,0|1,0,0]=1 190 B8R0.8 CSCC[C@H]([15NH2])C(O)=O Amb22353588 [0,0,0,0,0,0|0,0,0]=0 191 B8R0.8 CSCSC(C)C(C)=O Amb25162557 [0,0,0,0,0,0|3,0,0]=3 192 B8R0.8 CSOC[C@H](N)C(O)=O Amb24428229 [0,0,0,0,0,0|1,0,0]=1 193 B8R0.8 CS[13CH2][13CH2][13CH]([13C](=O)O)O Amb17615592 [0,0,0,0,0,0|1,0,0]=1 194 B8R0.8 C[C@@H](CCC=C)C(C)=O Amb25114180 [0,0,0,0,0,0|3,0,1]=4 195 B8R0.8 C[C@@H](CCCBr)C(O)=O Amb24480227 [0,0,0,0,0,0|3,0,0]=3 196 B8R0.8 C[C@@H](NCC#N)C(O)=O Amb24481672 [0,0,0,0,0,0|4,0,0]=4 197 B8R0.8 C[C@@H](NCC=C)C(O)=O Amb24481671 [0,0,0,0,0,0|3,0,1]=4 198 B8R0.8 C[C@@H](O)[C@H](Br)CCCC Amb25124035 [0,0,0,0,0,0|3,0,1]=4 199 B8R0.8 C[C@@H](OCC#N)C(O)=O Amb25050099 [0,0,0,0,0,0|4,0,0]=4 200 B8R0.8 C[C@H](C(=O)O)CSCC Amb10844108 [0,0,0,0,0,0|3,0,0]=3 201 B8R0.8 C[C@H](CCC#N)C(O)=O Amb25790580 [0,0,0,0,0,0|3,0,0]=3 202 B8R0.8 C[C@H](CCC=C)C(O)=O Amb24337306 [0,0,0,0,0,0|2,0,1]=3 203 B8R0.8 C[C@H](CCCBr)C(O)=O Amb24480175 [0,0,0,0,0,0|3,0,0]=3 204 B8R0.8 C[C@H](CN=[N+]=[N-])C(O)=O Amb24399279 [0,0,0,0,0,0|4,0,0]=4 205 B8R0.8 C[C@H](N)[C@@H](N)CCCC Amb25341415 [0,0,0,0,0,0|3,0,1]=4 206 B8R0.8 C[C@H](NCC#C)C(O)=O Amb25697652 [0,0,0,0,0,0|3,0,1]=4 207 B8R0.8 C[C@H](O)[C@@H](O)CCCC Amb24334203 [0,0,0,0,0,0|3,0,1]=4 208 B8R0.8 C[C@H](O)[C@H](Br)CCCC Amb25064520 [0,0,0,0,0,0|3,0,1]=4 209 B8R0.8 C[C@H](O)[C@H](N)CCCC Amb25378726 [0,0,0,0,0,0|2,0,1]=3 210 B8R0.8 C[C@H](OCC#C)C(O)=O Amb25852095 [0,0,0,0,0,0|3,0,1]=4 211 B8R0.8 C[Se]CCC(N)C(O)=O Amb20619393 [0,0,0,0,0,0|0,1,0]=1 212 B8R0.8 C[Se]CC[C@H](C(=O)O)N Amb10601590 [0,0,0,0,0,0|0,1,0]=1 213 B8R0.8 C\C(=C/CCC)\C(=O)O Amb10844998 [0,0,0,0,0,0|2,0,2]=4 214 B8R0.8 C\C(=C\CCC)\C(O)=O Amb25032199 [0,0,0,0,0,0|2,0,2]=4 215 B8R0.8 C\C=C/CC(F)C(C)=O Amb25829411 [0,0,0,0,0,0|3,0,1]=4 216 B8R0.8 C\C=C/CC(O)C(C)=O Amb24551722 [0,0,0,0,0,0|3,0,1]=4 217 B8R0.8 C\C=C/C[C@H](N)C(O)=O Amb24713154 [0,0,0,0,0,0|1,0,1]=2 218 B8R0.8 C\C=C/C[C@H](O)C(C)=O Amb25087742 [0,0,0,0,0,0|3,0,1]=4 219 B8R0.8 C\C=C\CC(=O)C(O)=O Amb18642583 [0,0,0,0,0,0|2,0,2]=4 220 B8R0.8 C\C=C\CC(C)C(O)=O Amb18642630 [0,0,0,0,0,0|2,0,1]=3 221 B8R0.8 C\C=C\CC(F)C(C)=O Amb24516319 [0,0,0,0,0,0|3,0,1]=4 222 B8R0.8 C\C=C\CC(O)C(C)=O Amb25707027 [0,0,0,0,0,0|3,0,1]=4 223 B8R0.8 C\C=C\CC(O)C(O)=O Amb18642742 [0,0,0,0,0,0|2,0,1]=3 224 B8R0.8 C\C=C\C[C@@H](N)C(O)=O Amb24632390 [0,0,0,0,0,0|1,0,1]=2 225 B8R0.8 NC(=O)C(Cl)CCCCl Amb24480056 [0,0,0,0,0,0|4,0,0]=4 226 B8R0.8 NC(=O)C(O)CCCO Amb25104583 [0,0,0,0,0,0|4,0,0]=4 227 B8R0.8 NC(=O)[C@@H](O)CCCO Amb25804971 [0,0,0,0,0,0|4,0,0]=4 228 B8R0.8 NC(C#CCO)C(O)=O Amb24585112 [0,0,0,0,0,0|2,0,2]=4 229 B8R0.8 NC(C(=O)O)CCON Amb17593409 [0,0,0,0,0,0|1,1,0]=2 230 B8R0.8 NC(C(=O)O)CSC#N Amb17593655 [0,0,0,0,0,0|3,0,0]=3 231 B8R0.8 NC(CCC#N)C(O)=O Amb18642589 [0,0,0,0,0,0|2,0,0]=2 232 B8R0.8 NC(CCC=O)C(O)=O Amb24340141 [0,0,0,0,0,0|2,0,0]=2 233 B8R0.8 NC(CCCBr)B(O)O Amb24607340 [0,0,0,0,0,0|3,0,1]=4 234 B8R0.8 NC(CCCBr)C(O)=O Amb24480263 [0,0,0,0,0,0|2,0,0]=2 235 B8R0.8 NC(CCCBr)P(O)=O Amb24377501 [0,0,0,0,0,0|3,0,0]=3 236 B8R0.8 NC(CCCCl)C(O)=O Amb24472387 [0,0,0,0,0,0|2,0,0]=2 237 B8R0.8 NC(CCCF)C(O)=O Amb25366994 [0,0,0,0,0,0|2,0,0]=2 238 B8R0.8 NC(CCCO)C(O)=O Amb18642915 [0,0,0,0,0,0|2,0,0]=2 239 B8R0.8 NC(CCCO)C(O)=O Amb22900028 [0,0,0,0,0,0|2,0,0]=2 240 B8R0.8 NC(CCCO)P(O)=O Amb25726221 [0,0,0,0,0,0|3,0,0]=3 241 B8R0.8 NC(CN=C=O)C(O)=O Amb24423805 [0,0,0,0,0,0|3,0,0]=3 242 B8R0.8 NC(COCO)C(O)=O Amb24731952 [0,0,0,0,0,0|3,0,0]=3 243 B8R0.8 NC(CSC=O)C(O)=O Amb24670042 [0,0,0,0,0,0|3,0,0]=3 244 B8R0.8 NC(\C=C\CO)C(O)=O Amb24586215 [0,0,0,0,0,0|2,0,2]=4 245 B8R0.8 NC(\C=C\CP)C(O)=O Amb24351617 [0,0,0,0,0,0|2,0,2]=4 246 B8R0.8 NCCCC(=O)C(O)=O Amb24081348 [0,0,0,0,0,0|3,0,1]=4 247 B8R0.8 NCCCC(C(=O)O)Br Amb17595166 [0,0,0,0,0,0|3,0,0]=3 248 B8R0.8 NCCCC(Cl)C(O)=O Amb24626933 [0,0,0,0,0,0|3,0,0]=3 249 B8R0.8 NCCCC(N)C(N)=O Amb24118008 [0,0,0,0,0,0|3,0,0]=3 250 B8R0.8 NCCCC(N)C(O)=O Amb22489477 [0,0,0,0,0,0|2,0,0]=2 251 B8R0.8 NCCCC(N)C(O)=O Amb22492665 [0,0,0,0,0,0|2,0,0]=2 252 B8R0.8 NCCCC(O)C(O)=O Amb18124377 [0,0,0,0,0,0|3,0,0]=3 253 B8R0.8 NCCC[C@@H](N)C(O)=O Amb22801212 [0,0,0,0,0,0|2,0,0]=2 254 B8R0.8 NCCC[C@@H](O)C(O)=O Amb24459740 [0,0,0,0,0,0|3,0,0]=3 255 B8R0.8 NCCC[C@@H]([NH3+])C(=O)O Amb10807472 [0,0,0,0,0,0|2,0,1]=3 256 B8R0.8 NCCC[C@H](N)C(N)=O Amb24658293 [0,0,0,0,0,0|3,0,0]=3 257 B8R0.8 NCCC[C@H](N)C(O)=O Amb20240598 [0,0,0,0,0,0|2,0,0]=2 258 B8R0.8 NCCSC(F)C(O)=O Amb24478685 [0,0,0,0,0,0|4,0,0]=4 259 B8R0.8 NC\C=C\C(N)C(O)=O Amb18642793 [0,0,0,0,0,0|2,0,2]=4 260 B8R0.8 NC\C=C\[C@H](N)C(O)=O Amb24580033 [0,0,0,0,0,0|2,0,2]=4 261 B8R0.8 NOCCC(N)C(O)=O Amb21858490 [0,0,0,0,0,0|1,1,0]=2 262 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22745427 [0,0,0,0,0,0|1,1,0]=2 263 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22751695 [0,0,0,0,0,0|1,1,0]=2 264 B8R0.8 N[C@@H](CCC=O)C(O)=O Amb25378080 [0,0,0,0,0,0|2,0,0]=2 265 B8R0.8 N[C@@H](CCCN)C(O)=O Amb22746434 [0,0,0,0,0,0|2,0,0]=2 266 B8R0.8 N[C@@H](CCNO)C(O)=O Amb24117852 [0,0,0,0,0,0|2,0,0]=2 267 B8R0.8 N[C@@H](CCNO)C(O)=O Amb24666196 [0,0,0,0,0,0|2,0,0]=2 268 B8R0.8 N[C@@H](CN=C=S)C(O)=O Amb24473247 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.8 N[C@@H](CNC#N)C(O)=O Amb24551015 [0,0,0,0,0,0|3,0,0]=3 270 B8R0.8 N[C@@H](C\C=C\Cl)C(O)=O Amb25774032 [0,0,0,0,0,0|2,0,1]=3 271 B8R0.8 N[C@H](C(=O)O)CCC#N Amb16183912 [0,0,0,0,0,0|2,0,0]=2 272 B8R0.8 N[C@H](CCC#N)C(O)=O Amb25063958 [0,0,0,0,0,0|2,0,0]=2 273 B8R0.8 N[C@H](CCC=O)C(O)=O Amb24477812 [0,0,0,0,0,0|2,0,0]=2 274 B8R0.8 N[C@H](C\C=C\Cl)C(O)=O Amb25114338 [0,0,0,0,0,0|2,0,1]=3 275 B8R0.8 O=C(Cl)C(Br)CCCBr Amb24387005 [0,0,0,0,0,0|4,0,0]=4 276 B8R0.8 OC(=O)C(=O)CCCBr Amb24711405 [0,0,0,0,0,0|3,0,1]=4 277 B8R0.8 OC(=O)C(=O)CCCCl Amb25274323 [0,0,0,0,0,0|3,0,1]=4 278 B8R0.8 OC(=O)C(Br)CCCBr Amb22001929 [0,0,0,0,0,0|3,0,0]=3 279 B8R0.8 OC(=O)C(CCCCl)Br Amb17595866 [0,0,0,0,0,0|3,0,0]=3 280 B8R0.8 OC(=O)C(F)CCCCl Amb24683810 [0,0,0,0,0,0|3,0,0]=3 281 B8R0.8 OC(CNC=O)C(O)=O Amb25126146 [0,0,0,0,0,0|4,0,0]=4 282 B8R0.8 OCCCC(Cl)C(O)=O Amb25760339 [0,0,0,0,0,0|3,0,0]=3 283 B8R0.8 OCCCC(O)C(O)=O Amb18642939 [0,0,0,0,0,0|3,0,0]=3 284 B8R0.8 OCCC[C@@H](C(=O)O)N Amb16183887 [0,0,0,0,0,0|2,0,0]=2 285 B8R0.8 OCCC[C@H](O)C(O)=O Amb24744314 [0,0,0,0,0,0|3,0,0]=3 286 B8R0.8 O[C@@H](CNC=O)C(O)=O Amb24453193 [0,0,0,0,0,0|4,0,0]=4 287 B8R0.8 [13CH3]SCCC(N)C(O)=O Amb22351494 [0,0,0,0,0,0|0,0,0]=0 288 B8R0.8 [13CH3][Se]CCC(N)C(O)=O Amb22367237 [0,0,0,0,0,0|0,1,0]=1 289 B8R0.8 [N-]=[N+]=NC[C@H](N)C(O)=O Amb25072668 [0,0,0,0,0,0|3,0,0]=3 290 B7R0.3 C#CCCC(N)C=O Amb25233211 [1,0,0,0,0,0|1,0,1]=3 291 B7R0.3 C#CCCC(N)CO Amb24730391 [1,0,0,0,0,0|1,0,2]=4 292 B7R0.3 C#CCC[C@@H](N)CO Amb24117821 [1,0,0,0,0,0|1,0,2]=4 293 B7R0.3 C=CCCC(N)C=C Amb22284783 [1,0,0,0,0,0|2,0,1]=4 294 B7R0.3 C=CCCC(N)CO Amb25083009 [1,0,0,0,0,0|1,0,2]=4 295 B7R0.3 CC(C=O)CCCC Amb17593191 [1,0,0,0,0,0|2,0,0]=3 296 B7R0.3 CC(CCC=C)C=O Amb25100921 [1,0,0,0,0,0|2,0,1]=4 297 B7R0.3 CC(CCCCl)C=O Amb24376628 [1,0,0,0,0,0|3,0,0]=4 298 B7R0.3 CC(CCCO)C=O Amb24690170 [1,0,0,0,0,0|3,0,0]=4 299 B7R0.3 CC(CO)CCNC Amb17569900 [1,0,0,0,0,0|2,0,1]=4 300 B7R0.3 CCC(N)CCOC Amb19016193 [1,0,0,0,0,0|1,1,1]=4 301 B7R0.3 CCC(O)CCSC Amb25114884 [1,0,0,0,0,0|2,0,1]=4 302 B7R0.3 CCCCC(=O)C=O Amb18124252 [1,0,0,0,0,0|2,0,1]=4 303 B7R0.3 CCCCC(Br)C=C Amb25758328 [1,0,0,0,0,0|3,0,0]=4 304 B7R0.3 CCCCC(C)C=C Amb22641469 [1,0,0,0,0,0|3,0,0]=4 305 B7R0.3 CCCCC(C=O)Br Amb17594581 [1,0,0,0,0,0|2,0,0]=3 306 B7R0.3 CCCCC(CO)C Amb17593205 [1,0,0,0,0,0|2,0,1]=4 307 B7R0.3 CCCCC(CO)N Amb2236185 [1,0,0,0,0,0|1,0,1]=3 308 B7R0.3 CCCCC(Cl)C=C Amb24647663 [1,0,0,0,0,0|3,0,0]=4 309 B7R0.3 CCCCC(Cl)C=O Amb18642973 [1,0,0,0,0,0|2,0,0]=3 310 B7R0.3 CCCCC(Cl)CO Amb25760827 [1,0,0,0,0,0|2,0,1]=4 311 B7R0.3 CCCCC(F)CO Amb25134893 [1,0,0,0,0,0|2,0,1]=4 312 B7R0.3 CCCCC(N)C#C Amb25798992 [1,0,0,0,0,0|2,0,1]=4 313 B7R0.3 CCCCC(N)C#N Amb18975861 [1,0,0,0,0,0|2,0,1]=4 314 B7R0.3 CCCCC(N)C=C Amb24677154 [1,0,0,0,0,0|2,0,0]=3 315 B7R0.3 CCCCC(N)CN Amb19009750 [1,0,0,0,0,0|2,0,1]=4 316 B7R0.3 CCCC[C@@H](N)C=C Amb25710927 [1,0,0,0,0,0|2,0,0]=3 317 B7R0.3 CCCC[C@@H](N)CO Amb23440322 [1,0,0,0,0,0|1,0,1]=3 318 B7R0.3 CCCC[C@@H](O)C=C Amb24731913 [1,0,0,0,0,0|3,0,0]=4 319 B7R0.3 CCCC[C@@H](O)C=O Amb24481527 [1,0,0,0,0,0|2,0,0]=3 320 B7R0.3 CCCC[C@@H](O)CO Amb25315976 [1,0,0,0,0,0|2,0,1]=4 321 B7R0.3 CCCC[C@H](F)C=O Amb25143375 [1,0,0,0,0,0|2,0,0]=3 322 B7R0.3 CCCC[C@H](N)CN Amb25725218 [1,0,0,0,0,0|2,0,1]=4 323 B7R0.3 CCCC[C@H](O)C=C Amb24591765 [1,0,0,0,0,0|3,0,0]=4 324 B7R0.3 CCCSC(C)C=O Amb18124367 [1,0,0,0,0,0|3,0,0]=4 325 B7R0.3 CCNCC(O)C=O Amb24399473 [1,0,0,0,0,0|3,0,0]=4 326 B7R0.3 CCSCC(N)CO Amb18643038 [1,0,0,0,0,0|2,0,1]=4 327 B7R0.3 CCSC[C@H](O)C=O Amb25844429 [1,0,0,0,0,0|3,0,0]=4 328 B7R0.3 CNC(C)CCSC Amb19515468 [1,0,0,0,0,0|3,0,0]=4 329 B7R0.3 CNCC\C(\N)=N/O Amb19981296 [1,0,0,0,0,0|2,0,1]=4 330 B7R0.3 CNCC\C(\N)=N\O Amb22410480 [1,0,0,0,0,0|2,0,1]=4 331 B7R0.3 COCCC(=O)C=O Amb24722152 [1,0,0,0,0,0|1,1,1]=4 332 B7R0.3 COCCC(C)NO Amb25127365 [1,0,0,0,0,0|2,1,0]=4 333 B7R0.3 COCCC(Cl)CO Amb25725023 [1,0,0,0,0,0|1,1,1]=4 334 B7R0.3 COCCC(N)C#C Amb24679127 [1,0,0,0,0,0|1,1,1]=4 335 B7R0.3 COCCC(N)C#N Amb18302970 [1,0,0,0,0,0|1,1,1]=4 336 B7R0.3 COCCC(N)CN Amb19023234 [1,0,0,0,0,0|1,1,1]=4 337 B7R0.3 COCCC(N)CS Amb25199860 [1,0,0,0,0,0|0,2,1]=4 338 B7R0.3 COCC[C@@H](C)CO Amb24412889 [1,0,0,0,0,0|1,1,1]=4 339 B7R0.3 COCC[C@H](C)CO Amb25333737 [1,0,0,0,0,0|1,1,1]=4 340 B7R0.3 COCC[C@H](N)CS Amb25251388 [1,0,0,0,0,0|0,2,1]=4 341 B7R0.3 COCC\C(\N)=N/O Amb19890177 [1,0,0,0,0,0|1,1,1]=4 342 B7R0.3 COCC\C(\N)=N\O Amb22490466 [1,0,0,0,0,0|1,1,1]=4 343 B7R0.3 CSCCC(=O)C=C Amb25334636 [1,0,0,0,0,0|2,0,1]=4 344 B7R0.3 CSCCC(=O)NO Amb25756883 [1,0,0,0,0,0|2,0,1]=4 345 B7R0.3 CSCCC(Br)C#N Amb25343162 [1,0,0,0,0,0|2,0,1]=4 346 B7R0.3 CSCCC(C)CO Amb25338794 [1,0,0,0,0,0|1,0,1]=3 347 B7R0.3 CSCCC(Cl)C#N Amb24439955 [1,0,0,0,0,0|2,0,1]=4 348 B7R0.3 CSCCC(N)=NN Amb25327509 [1,0,0,0,0,0|2,0,1]=4 349 B7R0.3 CSCCC(N)=NO Amb25127504 [1,0,0,0,0,0|1,0,1]=3 350 B7R0.3 CSCCC(N)C#N Amb18968584 [1,0,0,0,0,0|1,0,1]=3 351 B7R0.3 CSCCC(N)C=O Amb25367403 [1,0,0,0,0,0|0,0,0]=1 352 B7R0.3 CSCCC(N)CN Amb19003937 [1,0,0,0,0,0|1,0,1]=3 353 B7R0.3 CSCCC(O)C#C Amb25106865 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.3 CSCCC(O)C#N Amb24065663 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.3 CSCCC(O)C=O Amb25107714 [1,0,0,0,0,0|1,0,0]=2 356 B7R0.3 CSCCC(O)CBr Amb25824128 [1,0,0,0,0,0|2,0,1]=4 357 B7R0.3 CSCCC(O)CCl Amb25067893 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.3 CSCCC(O)CN Amb25785761 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.3 CSCCN(C)C=O Amb25716635 [1,0,0,0,0,0|2,0,0]=3 360 B7R0.3 CSCC[C@@H](N)CN Amb24362961 [1,0,0,0,0,0|1,0,1]=3 361 B7R0.3 CSCC[C@@H](N)CO Amb22753875 [1,0,0,0,0,0|0,0,1]=2 362 B7R0.3 CSCC[C@@H](O)C=O Amb24481522 [1,0,0,0,0,0|1,0,0]=2 363 B7R0.3 CSCC[C@H](N)C#N Amb25063220 [1,0,0,0,0,0|1,0,1]=3 364 B7R0.3 CSCC[C@H](N)CS Amb24381781 [1,0,0,0,0,0|0,1,1]=3 365 B7R0.3 CSCOC(C)C=O Amb24481539 [1,0,0,0,0,0|2,0,0]=3 366 B7R0.3 CSCOC(C)CO Amb25374195 [1,0,0,0,0,0|2,0,1]=4 367 B7R0.3 CSCO[C@@H](C)C=O Amb24759153 [1,0,0,0,0,0|2,0,0]=3 368 B7R0.3 CSCO[C@@H](C)CO Amb25293637 [1,0,0,0,0,0|2,0,1]=4 369 B7R0.3 CSCSC(C)CO Amb25128815 [1,0,0,0,0,0|2,0,1]=4 370 B7R0.3 CSSCC(O)CO Amb24350869 [1,0,0,0,0,0|2,0,1]=4 371 B7R0.3 C[C@H](CCC=C)C=O Amb25790613 [1,0,0,0,0,0|2,0,1]=4 372 B7R0.3 C[C@H](CCC=O)C=O Amb24707164 [1,0,0,0,0,0|3,0,0]=4 373 B7R0.3 C\C=C/CC(C)C=O Amb25759039 [1,0,0,0,0,0|2,0,1]=4 374 B7R0.3 C\C=C\CC(C=O)C Amb17593164 [1,0,0,0,0,0|2,0,1]=4 375 B7R0.3 C\C=C\CC(N)CO Amb24625761 [1,0,0,0,0,0|1,0,2]=4 376 B7R0.3 C\C=C\C[C@@H](C)C=O Amb24443734 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.3 C\C=C\C[C@@H](N)CO Amb24579420 [1,0,0,0,0,0|1,0,2]=4 378 B7R0.3 NC(CCCO)CO Amb18641979 [1,0,0,0,0,0|2,0,1]=4 379 B7R0.3 NCCCC(N)C=O Amb24653292 [1,0,0,0,0,0|2,0,0]=3 380 B7R0.3 NOCCC(N)CO Amb24531346 [1,0,0,0,0,0|1,1,1]=4 381 B7R0.3 N[C@@H](CCCO)CO Amb24117047 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.3 N[C@H](CO)CCCF Amb25198873 [1,0,0,0,0,0|2,0,1]=4 383 B7R0.3 OCC(CCSC)N Amb2236184 [1,0,0,0,0,0|0,0,1]=2 384 B7R0.3 OCCCC(Br)C=O Amb25765431 [1,0,0,0,0,0|3,0,0]=4 385 B7R0.3 OCCCC(F)C=O Amb24553890 [1,0,0,0,0,0|3,0,0]=4 386 B7R0.3 OCCCC(O)C=O Amb18641948 [1,0,0,0,0,0|3,0,0]=4 387 B7R0.3 OCCC[C@H](O)C=O Amb24570447 [1,0,0,0,0,0|3,0,0]=4 388 B7R0.4 BrCCCCC(=O)C Amb16234126 [1,0,0,0,0,0|3,0,0]=4 389 B7R0.4 C#CCSCC(=O)O Amb2372297 [1,0,0,0,0,0|2,0,1]=4 390 B7R0.4 C=CCCCC(=O)C Amb17593171 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.4 C=CCCCC(N)=O Amb24579642 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.4 C=CCSCC(=O)O Amb1110888 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.4 CC#CCCC(C)=O Amb24471185 [1,0,0,0,0,0|2,0,1]=4 394 B7R0.4 CC(=O)CCCC#C Amb18115312 [1,0,0,0,0,0|2,0,1]=4 395 B7R0.4 CC(=O)CCCC=O Amb18641775 [1,0,0,0,0,0|3,0,0]=4 396 B7R0.4 CC(=O)NCCSCl Amb24482235 [1,0,0,0,0,0|3,0,0]=4 397 B7R0.4 CC=C=CCC(O)=O Amb25118481 [1,0,0,0,0,0|1,0,2]=4 398 B7R0.4 CCCCCB(O)O Amb2447470 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.4 CCCCCC(N)=N Amb19890171 [1,0,0,0,0,0|3,0,0]=4 400 B7R0.4 CCCCCC(N)O Amb24673933 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.4 CCCCCC([O-])=O Amb22337624 [1,0,0,0,0,0|1,0,1]=3 402 B7R0.4 CCCCCC([O-])=O Amb22525161 [1,0,0,0,0,0|1,0,1]=3 403 B7R0.4 CCCCCC([O-])=O Amb22730527 [1,0,0,0,0,0|1,0,1]=3 404 B7R0.4 CCCCCC([O-])=O Amb22731343 [1,0,0,0,0,0|1,0,1]=3 405 B7R0.4 CCCCC[13C](O)=O Amb22353417 [1,0,0,0,0,0|1,0,0]=2 406 B7R0.4 CCCCC[C@@H](C)O Amb20242420 [1,0,0,0,0,0|2,0,1]=4 407 B7R0.4 CCCCC[N+]([O-])=O Amb22227991 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.4 CCCCNC(=O)Cl Amb24574309 [1,0,0,0,0,0|3,0,0]=4 409 B7R0.4 CCCCOC(=O)F Amb24710483 [1,0,0,0,0,0|3,0,0]=4 410 B7R0.4 CCCCSC(=O)C Amb10552685 [1,0,0,0,0,0|3,0,0]=4 411 B7R0.4 CCCCSC(=O)Cl Amb22352826 [1,0,0,0,0,0|3,0,0]=4 412 B7R0.4 CCCCSC(N)=O Amb24533653 [1,0,0,0,0,0|3,0,0]=4 413 B7R0.4 CCCC[13CH2][13C](O)=O Amb22367381 [1,0,0,0,0,0|1,0,0]=2 414 B7R0.4 CCCNCC(=O)N Amb1124632 [1,0,0,0,0,0|3,0,0]=4 415 B7R0.4 CCCNCC(=O)O Amb10609640 [1,0,0,0,0,0|2,0,0]=3 416 B7R0.4 CCCNCC(=O)O Amb1110628 [1,0,0,0,0,0|2,0,0]=3 417 B7R0.4 CCCSCC(=O)O Amb1137113 [1,0,0,0,0,0|2,0,0]=3 418 B7R0.4 CCNCCC(C)=O Amb18641851 [1,0,0,0,0,0|3,0,0]=4 419 B7R0.4 CCOCCC(=O)Cl Amb20672027 [1,0,0,0,0,0|3,0,0]=4 420 B7R0.4 CCSSCC(O)=O Amb25233433 [1,0,0,0,0,0|3,0,0]=4 421 B7R0.4 CNCCCC(=O)O Amb1153115 [1,0,0,0,0,0|1,0,0]=2 422 B7R0.4 CNCCCC(C)=C Amb25742210 [1,0,0,0,0,0|3,0,0]=4 423 B7R0.4 CNCCCC(N)=O Amb18303611 [1,0,0,0,0,0|2,0,0]=3 424 B7R0.4 CNCCCC(O)C Amb17569899 [1,0,0,0,0,0|2,0,1]=4 425 B7R0.4 CNCCCS(O)=O Amb24656214 [1,0,0,0,0,0|2,0,0]=3 426 B7R0.4 CNCCNC(N)=O Amb18299975 [1,0,0,0,0,0|3,0,0]=4 427 B7R0.4 CNCCOC(C)=O Amb18124262 [1,0,0,0,0,0|3,0,0]=4 428 B7R0.4 CNCCOC(N)=O Amb25136928 [1,0,0,0,0,0|3,0,0]=4 429 B7R0.4 CNC\C=C\C(O)=O Amb25368293 [1,0,0,0,0,0|1,0,2]=4 430 B7R0.4 COCCCC(=O)Cl Amb24481572 [1,0,0,0,0,0|1,1,0]=3 431 B7R0.4 COCCCC(N)=N Amb19269156 [1,0,0,0,0,0|2,1,0]=4 432 B7R0.4 COCCCC(N)=O Amb24670109 [1,0,0,0,0,0|1,1,0]=3 433 B7R0.4 COCCNC(=O)N Amb1104938 [1,0,0,0,0,0|2,1,0]=4 434 B7R0.4 COCCOC(N)=O Amb25054225 [1,0,0,0,0,0|2,1,0]=4 435 B7R0.4 COCSCC(C)=O Amb24717297 [1,0,0,0,0,0|2,1,0]=4 436 B7R0.4 COC\C=C\C(O)=O Amb18296423 [1,0,0,0,0,0|0,1,2]=4 437 B7R0.4 CONCCC(C)=O Amb25342369 [1,0,0,0,0,0|2,1,0]=4 438 B7R0.4 CONCCC(N)=O Amb24481431 [1,0,0,0,0,0|2,1,0]=4 439 B7R0.4 CONCCC(O)=O Amb24441275 [1,0,0,0,0,0|1,1,0]=3 440 B7R0.4 CO\C=C\CC(O)=O Amb25174889 [1,0,0,0,0,0|0,1,2]=4 441 B7R0.4 CSCCCC(=O)O Amb17503622 [1,0,0,0,0,0|0,0,0]=1 442 B7R0.4 CSCCCC(C)=O Amb25122381 [1,0,0,0,0,0|1,0,0]=2 443 B7R0.4 CSCCCC(C)N Amb18124381 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.4 CSCCCC(N)=O Amb19129736 [1,0,0,0,0,0|1,0,0]=2 445 B7R0.4 CSCCNC(N)=S Amb24414359 [1,0,0,0,0,0|2,1,0]=4 446 B7R0.4 CSCCNC(S)=S Amb25856953 [1,0,0,0,0,0|1,2,0]=4 447 B7R0.4 CSCCOC(=O)Cl Amb25857013 [1,0,0,0,0,0|2,0,0]=3 448 B7R0.4 CSC\C=C/C(C)=O Amb25713058 [1,0,0,0,0,0|1,0,2]=4 449 B7R0.4 CSC\C=C\C(C)=O Amb24515276 [1,0,0,0,0,0|1,0,2]=4 450 B7R0.4 CSC\C=C\C(O)=O Amb18291627 [1,0,0,0,0,0|0,0,2]=3 451 B7R0.4 CS\C=C/CC(C)=O Amb25064716 [1,0,0,0,0,0|1,0,2]=4 452 B7R0.4 CS\C=C\CC(C)=O Amb24690833 [1,0,0,0,0,0|1,0,2]=4 453 B7R0.4 C[Se]CCCC(O)=O Amb22347334 [1,0,0,0,0,0|0,1,0]=2 454 B7R0.4 C\C=C/CCC(C)=O Amb24333832 [1,0,0,0,0,0|2,0,1]=4 455 B7R0.4 C\C=C\CCC(=O)Cl Amb25246754 [1,0,0,0,0,0|2,0,1]=4 456 B7R0.4 C\C=C\CCC(=O)O Amb10071500 [1,0,0,0,0,0|1,0,1]=3 457 B7R0.4 C\C=C\CCC(N)=O Amb25343167 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.4 N#CCCCC(=O)C Amb17106756 [1,0,0,0,0,0|3,0,0]=4 459 B7R0.4 N#CCCCC(O)=O Amb18560874 [1,0,0,0,0,0|2,0,0]=3 460 B7R0.4 N#CSCCC(O)=O Amb24481186 [1,0,0,0,0,0|3,0,0]=4 461 B7R0.4 NC(=O)CCCC#N Amb25337207 [1,0,0,0,0,0|3,0,0]=4 462 B7R0.4 NC(=O)CCCCI Amb25788033 [1,0,0,0,0,0|3,0,0]=4 463 B7R0.4 NCCCCC(N)=O Amb18641897 [1,0,0,0,0,0|3,0,0]=4 464 B7R0.4 NCCCCC([O-])=O Amb22753853 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.4 NCCCCP(O)=O Amb24520720 [1,0,0,0,0,0|3,0,0]=4 466 B7R0.4 NCCCNC(O)=O Amb24093884 [1,0,0,0,0,0|3,0,0]=4 467 B7R0.4 NCCNCC(=O)O Amb17608063 [1,0,0,0,0,0|3,0,0]=4 468 B7R0.4 NCCNCC(O)=O Amb19958818 [1,0,0,0,0,0|3,0,0]=4 469 B7R0.4 NCCOCC(O)=O Amb18630146 [1,0,0,0,0,0|3,0,0]=4 470 B7R0.4 NCCOCC(O)=O Amb22751540 [1,0,0,0,0,0|3,0,0]=4 471 B7R0.4 NCCSCC(=O)O Amb17500446 [1,0,0,0,0,0|3,0,0]=4 472 B7R0.4 NCCSCC(O)=O Amb20622325 [1,0,0,0,0,0|3,0,0]=4 473 B7R0.4 NNCCCC(O)=O Amb24455803 [1,0,0,0,0,0|2,0,0]=3 474 B7R0.4 NOCCCC(=O)O Amb10975956 [1,0,0,0,0,0|1,1,0]=3 475 B7R0.4 NOCCCC(O)=O Amb22011795 [1,0,0,0,0,0|1,1,0]=3 476 B7R0.4 O=C(F)CCCCCl Amb24472276 [1,0,0,0,0,0|3,0,0]=4 477 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,0,0,0,0,0|2,0,0]=3 478 B7R0.4 OC(=O)CCC=C=C Amb10605299 [1,0,0,0,0,0|1,0,2]=4 479 B7R0.4 OC(=O)CCN=C=S Amb24562253 [1,0,0,0,0,0|3,0,0]=4 480 B7R0.4 OC(=O)CCNC=O Amb18290434 [1,0,0,0,0,0|3,0,0]=4 481 B7R0.4 OC(=O)CC\C=C\Br Amb25238247 [1,0,0,0,0,0|2,0,1]=4 482 B7R0.4 OC(=O)CC\C=C\Cl Amb25803087 [1,0,0,0,0,0|2,0,1]=4 483 B7R0.4 OC(=O)CNCCS Amb18124468 [1,0,0,0,0,0|3,0,0]=4 484 B7R0.4 OC(=O)COCCBr Amb24057760 [1,0,0,0,0,0|3,0,0]=4 485 B7R0.4 OC(=O)COCCCl Amb21857870 [1,0,0,0,0,0|3,0,0]=4 486 B7R0.4 OC(=O)CSCC=O Amb24628311 [1,0,0,0,0,0|3,0,0]=4 487 B7R0.4 OC(=O)CSCCCl Amb18644703 [1,0,0,0,0,0|3,0,0]=4 488 B7R0.4 OC(=O)CSCCS Amb24711400 [1,0,0,0,0,0|3,0,0]=4 489 B7R0.4 OCCCCC(=O)C Amb10603864 [1,0,0,0,0,0|3,0,0]=4 490 B7R0.4 OCCCCC(=O)[O-] Amb13952763 [1,0,0,0,0,0|2,0,1]=4 491 B7R0.4 OCCCCC(O)=O Amb22351244 [1,0,0,0,0,0|2,0,0]=3 492 B7R0.4 OCCSCC(=O)O Amb1110090 [1,0,0,0,0,0|3,0,0]=4 493 B7R0.4 SCCCCC(=O)O Amb17503767 [1,0,0,0,0,0|2,0,0]=3 494 B7R0.4 [N-]=[N+]=NCCC(O)=O Amb20622326 [1,0,0,0,0,0|3,0,0]=4 495 B7R0.4 [O-]C(=O)CCCCO Amb22749314 [1,0,0,0,0,0|2,0,1]=4 496 B7R0.5 C#CCC(N)C(N)=O Amb22059485 [1,0,0,0,0,0|1,0,2]=4 497 B7R0.5 C#CCC(N)C(O)=O Amb19944472 [1,0,0,0,0,0|0,0,2]=3 498 B7R0.5 C#CC[C@@H](N)C(O)=O Amb22748688 [1,0,0,0,0,0|0,0,2]=3 499 B7R0.5 C#CC[C@@H](O)C(O)=O Amb25189884 [1,0,0,0,0,0|1,0,2]=4 500 B7R0.5 C=CCC(Br)C(O)=O Amb18648213 [1,0,0,0,0,0|1,0,2]=4 501 B7R0.5 C=CCC(Cl)C(O)=O Amb25056173 [1,0,0,0,0,0|1,0,2]=4 502 B7R0.5 C=CCC(N)C(O)=O Amb21856826 [1,0,0,0,0,0|0,0,2]=3 503 B7R0.5 C=CCC(N)P(O)=O Amb24377187 [1,0,0,0,0,0|1,0,2]=4 504 B7R0.5 C=CC[C@@H](F)C(O)=O Amb24481338 [1,0,0,0,0,0|1,0,2]=4 505 B7R0.5 C=CC[C@@H](N)C(O)=O Amb22745310 [1,0,0,0,0,0|0,0,2]=3 506 B7R0.5 C=CC[C@@H](O)C(O)=O Amb24548731 [1,0,0,0,0,0|1,0,2]=4 507 B7R0.5 CC#CC(C)C(O)=O Amb22748425 [1,0,0,0,0,0|1,0,2]=4 508 B7R0.5 CC(=O)C(=O)CSC Amb24623163 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.5 CC(=O)C(Cl)CCCl Amb20671951 [1,0,0,0,0,0|3,0,0]=4 510 B7R0.5 CC(=O)C(N)CCO Amb25087112 [1,0,0,0,0,0|1,1,0]=3 511 B7R0.5 CC(=O)C(O)CCS Amb24516694 [1,0,0,0,0,0|2,0,0]=3 512 B7R0.5 CC(=O)C(S)CCO Amb25831127 [1,0,0,0,0,0|2,1,0]=4 513 B7R0.5 CC(=O)N(C)CCS Amb25335665 [1,0,0,0,0,0|3,0,0]=4 514 B7R0.5 CC(=O)N(N)CCO Amb18641953 [1,0,0,0,0,0|2,1,0]=4 515 B7R0.5 CC(C(=O)C)CCO Amb13881368 [1,0,0,0,0,0|2,1,0]=4 516 B7R0.5 CC(C(=O)O)CC#N Amb17334056 [1,0,0,0,0,0|2,0,1]=4 517 B7R0.5 CC(C(=O)O)CNC Amb13952364 [1,0,0,0,0,0|2,0,0]=3 518 B7R0.5 CC(C)C(N)CSC Amb18995347 [1,0,0,0,0,0|2,0,1]=4 519 B7R0.5 CC(CC#C)C(O)=O Amb18633959 [1,0,0,0,0,0|1,0,2]=4 520 B7R0.5 CC(CCBr)C(=O)Cl Amb25798925 [1,0,0,0,0,0|3,0,0]=4 521 B7R0.5 CC(CCC)C(O)O Amb25380752 [1,0,0,0,0,0|1,0,2]=4 522 B7R0.5 CC(CCCl)C(=O)Cl Amb25744436 [1,0,0,0,0,0|3,0,0]=4 523 B7R0.5 CC(CCCl)C(=O)F Amb25839945 [1,0,0,0,0,0|3,0,0]=4 524 B7R0.5 CC(CCF)C(O)=O Amb24678386 [1,0,0,0,0,0|2,0,0]=3 525 B7R0.5 CC(CCN)C(C)=O Amb18251071 [1,0,0,0,0,0|3,0,0]=4 526 B7R0.5 CC(CCN)C(N)=O Amb18641900 [1,0,0,0,0,0|3,0,0]=4 527 B7R0.5 CC(CCN)C(O)=O Amb20667970 [1,0,0,0,0,0|2,0,0]=3 528 B7R0.5 CC(CCO)C(O)=O Amb18641949 [1,0,0,0,0,0|1,1,0]=3 529 B7R0.5 CC(CCS)C(O)=O Amb25133689 [1,0,0,0,0,0|1,0,0]=2 530 B7R0.5 CC(O)C(Cl)CCC Amb25700952 [1,0,0,0,0,0|2,0,1]=4 531 B7R0.5 CC(O)C(N)CCC Amb24656798 [1,0,0,0,0,0|1,0,1]=3 532 B7R0.5 CC(O)C(N)COC Amb18124266 [1,0,0,0,0,0|1,1,1]=4 533 B7R0.5 CCCC(=C)C(=O)Cl Amb25081936 [1,0,0,0,0,0|2,0,1]=4 534 B7R0.5 CCCC(=C)C(N)=O Amb25189878 [1,0,0,0,0,0|2,0,1]=4 535 B7R0.5 CCCC(=C)C(O)=O Amb18641779 [1,0,0,0,0,0|1,0,1]=3 536 B7R0.5 CCCC(=O)C(=O)Cl Amb24690783 [1,0,0,0,0,0|2,0,1]=4 537 B7R0.5 CCCC(=O)C(N)=O Amb24473081 [1,0,0,0,0,0|2,0,1]=4 538 B7R0.5 CCCC(=O)C(O)=O Amb22347924 [1,0,0,0,0,0|1,0,1]=3 539 B7R0.5 CCCC(=O)C(O)=O Amb22733540 [1,0,0,0,0,0|1,0,1]=3 540 B7R0.5 CCCC(Br)C(=O)Br Amb24369503 [1,0,0,0,0,0|2,0,0]=3 541 B7R0.5 CCCC(Br)C(N)=S Amb25805593 [1,0,0,0,0,0|2,1,0]=4 542 B7R0.5 CCCC(Br)[N+]([O-])=O Amb17949822 [1,0,0,0,0,0|2,0,1]=4 543 B7R0.5 CCCC(C(=O)Cl)Br Amb17569837 [1,0,0,0,0,0|2,0,0]=3 544 B7R0.5 CCCC(C(=O)O)Cl Amb17593470 [1,0,0,0,0,0|1,0,0]=2 545 B7R0.5 CCCC(C(=O)O)O Amb2582532 [1,0,0,0,0,0|1,0,0]=2 546 B7R0.5 CCCC(C)C(C)=C Amb22730210 [1,0,0,0,0,0|3,0,0]=4 547 B7R0.5 CCCC(C)C(N)=S Amb25138492 [1,0,0,0,0,0|2,1,0]=4 548 B7R0.5 CCCC(C)[N+]([O-])=O Amb17940330 [1,0,0,0,0,0|2,0,1]=4 549 B7R0.5 CCCC(Cl)C(N)=O Amb25024550 [1,0,0,0,0,0|2,0,0]=3 550 B7R0.5 CCCC(Cl)S(C)=O Amb25101399 [1,0,0,0,0,0|3,0,0]=4 551 B7R0.5 CCCC(F)C(O)=O Amb25842008 [1,0,0,0,0,0|1,0,0]=2 552 B7R0.5 CCCC(N)C(=O)S Amb25378817 [1,0,0,0,0,0|0,1,0]=2 553 B7R0.5 CCCC(N)C(C)=C Amb24643425 [1,0,0,0,0,0|2,0,0]=3 554 B7R0.5 CCCC(N)C(F)F Amb25355340 [1,0,0,0,0,0|2,0,1]=4 555 B7R0.5 CCCC(N)C(N)=O Amb22284825 [1,0,0,0,0,0|1,0,0]=2 556 B7R0.5 CCCC(N)P(O)O Amb24401110 [1,0,0,0,0,0|1,0,1]=3 557 B7R0.5 CCCC(O)C(=C)Cl Amb25346262 [1,0,0,0,0,0|3,0,0]=4 558 B7R0.5 CCCC(O)C(C)=C Amb25141736 [1,0,0,0,0,0|3,0,0]=4 559 B7R0.5 CCCC(O)C(C)=O Amb22495823 [1,0,0,0,0,0|2,0,0]=3 560 B7R0.5 CCCC(O)C(N)=O Amb24116553 [1,0,0,0,0,0|2,0,0]=3 561 B7R0.5 CCCC(O)C([O-])=O Amb22731263 [1,0,0,0,0,0|1,0,1]=3 562 B7R0.5 CCCC(O)P(O)=O Amb25143218 [1,0,0,0,0,0|2,0,0]=3 563 B7R0.5 CCCC(S)C(C)=O Amb24689502 [1,0,0,0,0,0|2,0,0]=3 564 B7R0.5 CCCC(S)C(O)=O Amb18124440 [1,0,0,0,0,0|1,0,0]=2 565 B7R0.5 CCCN(C)C(C)=O Amb24451102 [1,0,0,0,0,0|3,0,0]=4 566 B7R0.5 CCCN(N)C(N)=S Amb25321701 [1,0,0,0,0,0|2,1,0]=4 567 B7R0.5 CCC[C@@H](C)C(C)=O Amb24631887 [1,0,0,0,0,0|2,0,0]=3 568 B7R0.5 CCC[C@@H](C)C(N)=O Amb25257881 [1,0,0,0,0,0|2,0,0]=3 569 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [1,0,0,0,0,0|1,0,0]=2 570 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [1,0,0,0,0,0|1,0,0]=2 571 B7R0.5 CCC[C@@H](O)C(C)=O Amb24432580 [1,0,0,0,0,0|2,0,0]=3 572 B7R0.5 CCC[C@@H](O)C(O)=O Amb22746731 [1,0,0,0,0,0|1,0,0]=2 573 B7R0.5 CCC[C@H](C)C(C)O Amb25662135 [1,0,0,0,0,0|2,0,1]=4 574 B7R0.5 CCC[C@H](C)C(N)=O Amb25305606 [1,0,0,0,0,0|2,0,0]=3 575 B7R0.5 CCC[C@H](F)C(O)=O Amb24657412 [1,0,0,0,0,0|1,0,0]=2 576 B7R0.5 CCC[C@H](O)C(C)=O Amb25097084 [1,0,0,0,0,0|2,0,0]=3 577 B7R0.5 CCC[C@H](O)C(N)=O Amb25082239 [1,0,0,0,0,0|2,0,0]=3 578 B7R0.5 CCC[C@H](O)C(O)=O Amb22226514 [1,0,0,0,0,0|1,0,0]=2 579 B7R0.5 CCNC(=N)C(O)=O Amb18641879 [1,0,0,0,0,0|1,0,2]=4 580 B7R0.5 CCNC(C)C(N)=O Amb21959648 [1,0,0,0,0,0|3,0,0]=4 581 B7R0.5 CCN[C@H](C)C(O)=O Amb24351099 [1,0,0,0,0,0|2,0,0]=3 582 B7R0.5 CCOC(=C)C(O)=O Amb18641872 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.5 CCOC(=O)C(=O)O Amb16192090 [1,0,0,0,0,0|2,0,1]=4 584 B7R0.5 CCOC(C)C(N)=O Amb19960053 [1,0,0,0,0,0|3,0,0]=4 585 B7R0.5 CCOC(O)C(C)=O Amb25189063 [1,0,0,0,0,0|3,0,0]=4 586 B7R0.5 CCOC(O)C(O)=O Amb24680848 [1,0,0,0,0,0|2,0,0]=3 587 B7R0.5 CCO[C@@H](O)C(C)=O Amb25092956 [1,0,0,0,0,0|3,0,0]=4 588 B7R0.5 CCO[C@H](C)C(O)=O Amb24660035 [1,0,0,0,0,0|2,0,0]=3 589 B7R0.5 CCSC(=S)C(O)=O Amb25210892 [1,0,0,0,0,0|2,0,1]=4 590 B7R0.5 CCSC(O)C(O)=O Amb24444218 [1,0,0,0,0,0|2,0,0]=3 591 B7R0.5 CCS[C@@H](C)C(O)=O Amb25083211 [1,0,0,0,0,0|2,0,0]=3 592 B7R0.5 CCS[C@H](C)C(O)=O Amb25259517 [1,0,0,0,0,0|2,0,0]=3 593 B7R0.5 CC\C=C(/N)\C(N)=O Amb25858729 [1,0,0,0,0,0|1,0,2]=4 594 B7R0.5 CC\C=C(\Br)/C(O)=O Amb18125610 [1,0,0,0,0,0|1,0,2]=4 595 B7R0.5 CC\C=C(\F)/C(O)=O Amb25326985 [1,0,0,0,0,0|1,0,2]=4 596 B7R0.5 CC\C=C(\N)/C(N)=O Amb24515060 [1,0,0,0,0,0|1,0,2]=4 597 B7R0.5 CC\C=C(\N)/C(O)=O Amb24349496 [1,0,0,0,0,0|0,0,2]=3 598 B7R0.5 CNCC(=C)C(O)=O Amb24561619 [1,0,0,0,0,0|2,0,1]=4 599 B7R0.5 CNCC(C(=O)O)N Amb10071505 [1,0,0,0,0,0|1,0,0]=2 600 B7R0.5 CNCC(C(=O)O)N Amb10845350 [1,0,0,0,0,0|1,0,0]=2 601 B7R0.5 CNCC(C)C(C)=O Amb25340555 [1,0,0,0,0,0|3,0,0]=4 602 B7R0.5 CNCC(F)C(O)=O Amb24666017 [1,0,0,0,0,0|2,0,0]=3 603 B7R0.5 CNCC(N)C(N)=O Amb25316352 [1,0,0,0,0,0|2,0,0]=3 604 B7R0.5 CNC[C@@H](C(=O)O)N Amb17617148 [1,0,0,0,0,0|1,0,0]=2 605 B7R0.5 CNC[C@@H](N)C(O)=O Amb19133072 [1,0,0,0,0,0|1,0,0]=2 606 B7R0.5 CNC[C@@H](N)C(O)=O Amb22746009 [1,0,0,0,0,0|1,0,0]=2 607 B7R0.5 CNC[C@@H](N)C(O)=O Amb22748835 [1,0,0,0,0,0|1,0,0]=2 608 B7R0.5 CNC[C@H](N)C(O)=O Amb19892230 [1,0,0,0,0,0|1,0,0]=2 609 B7R0.5 CNC[C@H](O)C(O)=O Amb25689188 [1,0,0,0,0,0|2,0,0]=3 610 B7R0.5 CNN=C(N)C(O)=O Amb25684306 [1,0,0,0,0,0|2,0,1]=4 611 B7R0.5 CNNC(C)C(O)=O Amb24070183 [1,0,0,0,0,0|3,0,0]=4 612 B7R0.5 COCC(=O)C(O)=O Amb25304863 [1,0,0,0,0,0|1,1,1]=4 613 B7R0.5 COCC(Br)C(C)=O Amb24483184 [1,0,0,0,0,0|2,1,0]=4 614 B7R0.5 COCC(Br)C(N)=O Amb24740751 [1,0,0,0,0,0|2,1,0]=4 615 B7R0.5 COCC(C(=O)O)Br Amb17594709 [1,0,0,0,0,0|1,1,0]=3 616 B7R0.5 COCC(C(=O)O)Cl Amb10068384 [1,0,0,0,0,0|1,1,0]=3 617 B7R0.5 COCC(C)C(C)=O Amb24683449 [1,0,0,0,0,0|2,1,0]=4 618 B7R0.5 COCC(C)S(O)=O Amb25280974 [1,0,0,0,0,0|2,1,0]=4 619 B7R0.5 COCC(Cl)C(C)=O Amb25073897 [1,0,0,0,0,0|2,1,0]=4 620 B7R0.5 COCC(F)C(O)=O Amb24526772 [1,0,0,0,0,0|1,1,0]=3 621 B7R0.5 COCC(N)C(N)=O Amb18984372 [1,0,0,0,0,0|1,1,0]=3 622 B7R0.5 COCC(O)C(C)=O Amb25072841 [1,0,0,0,0,0|2,1,0]=4 623 B7R0.5 COCC(O)C(O)=O Amb18124273 [1,0,0,0,0,0|1,1,0]=3 624 B7R0.5 COC[C@@H](N)C(N)=O Amb25211762 [1,0,0,0,0,0|1,1,0]=3 625 B7R0.5 COC[C@@H](N)C(O)=O Amb22744762 [1,0,0,0,0,0|0,1,0]=2 626 B7R0.5 COC[C@@H](O)C(O)=O Amb25829059 [1,0,0,0,0,0|1,1,0]=3 627 B7R0.5 COC[C@H](C(=O)O)N Amb10604051 [1,0,0,0,0,0|0,1,0]=2 628 B7R0.5 CSCC(C)C(=O)Cl Amb20247150 [1,0,0,0,0,0|2,0,0]=3 629 B7R0.5 CSCC(C)C(C)=O Amb25268934 [1,0,0,0,0,0|2,0,0]=3 630 B7R0.5 CSCC(C)C(N)=O Amb24475326 [1,0,0,0,0,0|2,0,0]=3 631 B7R0.5 CSCC(C)C(O)=O Amb18967825 [1,0,0,0,0,0|1,0,0]=2 632 B7R0.5 CSCC(Cl)C(=C)Cl Amb25168947 [1,0,0,0,0,0|3,0,0]=4 633 B7R0.5 CSCC(Cl)C(C)=C Amb25123921 [1,0,0,0,0,0|3,0,0]=4 634 B7R0.5 CSCC(N)C(C)=C Amb25142968 [1,0,0,0,0,0|2,0,0]=3 635 B7R0.5 CSCC(N)C(N)=O Amb18294390 [1,0,0,0,0,0|1,0,0]=2 636 B7R0.5 CSCC(O)C(O)=O Amb25131873 [1,0,0,0,0,0|1,0,0]=2 637 B7R0.5 CSC[C@H](O)C(O)=O Amb24435256 [1,0,0,0,0,0|1,0,0]=2 638 B7R0.5 CSSC(C)C(O)=O Amb25701741 [1,0,0,0,0,0|2,0,0]=3 639 B7R0.5 C[C@@H](C(=O)O)CC#C Amb10844029 [1,0,0,0,0,0|1,0,2]=4 640 B7R0.5 C[C@@H](C(=O)O)CC=C Amb10844040 [1,0,0,0,0,0|1,0,2]=4 641 B7R0.5 C[C@@H](C(=O)O)CCC Amb10844028 [1,0,0,0,0,0|1,0,0]=2 642 B7R0.5 C[C@@H](CCS)C(O)=O Amb25786376 [1,0,0,0,0,0|1,0,0]=2 643 B7R0.5 C[C@@H](O)[C@@H](O)CCC Amb25686304 [1,0,0,0,0,0|2,0,1]=4 644 B7R0.5 C[C@@H](O)[C@H](N)CCC Amb25328641 [1,0,0,0,0,0|1,0,1]=3 645 B7R0.5 C[C@@H](O)[C@H](N)COC Amb25304782 [1,0,0,0,0,0|1,1,1]=4 646 B7R0.5 C[C@H](C(=O)O)CC#C Amb10844036 [1,0,0,0,0,0|1,0,2]=4 647 B7R0.5 C[C@H](C(=O)O)CC=C Amb10844033 [1,0,0,0,0,0|1,0,2]=4 648 B7R0.5 C[C@H](C(=O)O)CCC Amb10844037 [1,0,0,0,0,0|1,0,0]=2 649 B7R0.5 C[C@H](C(=O)O)CCN Amb10844043 [1,0,0,0,0,0|2,0,0]=3 650 B7R0.5 C[C@H](C(=O)O)COC Amb10844266 [1,0,0,0,0,0|1,1,0]=3 651 B7R0.5 C[C@H](CC#N)C(O)=O Amb24725603 [1,0,0,0,0,0|2,0,1]=4 652 B7R0.5 C[C@H](CCO)C(O)=O Amb24483065 [1,0,0,0,0,0|1,1,0]=3 653 B7R0.5 C[C@H](NCO)C(O)=O Amb24401217 [1,0,0,0,0,0|2,1,0]=4 654 B7R0.5 C[C@H](O)[C@@H](Cl)CCC Amb25111275 [1,0,0,0,0,0|2,0,1]=4 655 B7R0.5 C[C@H](O)[C@@H](N)COC Amb25169361 [1,0,0,0,0,0|1,1,1]=4 656 B7R0.5 C[C@H](O)[C@H](N)CCC Amb24604367 [1,0,0,0,0,0|1,0,1]=3 657 B7R0.5 C[C@H](O)[C@H](O)CCC Amb24671438 [1,0,0,0,0,0|2,0,1]=4 658 B7R0.5 C[Se]CC(=O)C(=O)O Amb17617778 [1,0,0,0,0,0|1,1,1]=4 659 B7R0.5 C[Se]C[C@@H](C(=O)O)N Amb10601626 [1,0,0,0,0,0|0,1,0]=2 660 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22350259 [1,0,0,0,0,0|0,1,0]=2 661 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22745692 [1,0,0,0,0,0|0,1,0]=2 662 B7R0.5 C\C=C/C(N)C(N)=O Amb24679364 [1,0,0,0,0,0|1,0,2]=4 663 B7R0.5 C\C=C\C(C)C(O)=O Amb18641786 [1,0,0,0,0,0|1,0,2]=4 664 B7R0.5 C\C=C\C(N)C(N)=O Amb24515058 [1,0,0,0,0,0|1,0,2]=4 665 B7R0.5 C\C=C\C(N)C(O)=O Amb24481451 [1,0,0,0,0,0|0,0,2]=3 666 B7R0.5 C\C=C\C(O)C(O)=O Amb24481382 [1,0,0,0,0,0|1,0,2]=4 667 B7R0.5 C\C=C\[C@@H](C)C(O)=O Amb25719907 [1,0,0,0,0,0|1,0,2]=4 668 B7R0.5 C\C=C\[C@H](C)C(O)=O Amb24481336 [1,0,0,0,0,0|1,0,2]=4 669 B7R0.5 N#CCC(O)C(O)=O Amb25678609 [1,0,0,0,0,0|2,0,1]=4 670 B7R0.5 NC(=O)C(Br)CCBr Amb25174083 [1,0,0,0,0,0|3,0,0]=4 671 B7R0.5 NC(=O)C(O)CCO Amb25703294 [1,0,0,0,0,0|2,1,0]=4 672 B7R0.5 NC(=O)C(S)CCO Amb24525295 [1,0,0,0,0,0|2,1,0]=4 673 B7R0.5 NC(=O)N(N)CCO Amb18641972 [1,0,0,0,0,0|2,1,0]=4 674 B7R0.5 NC(C(=O)O)CCBr Amb10576584 [1,0,0,0,0,0|1,0,0]=2 675 B7R0.5 NC(CC#N)C(O)=O Amb18641766 [1,0,0,0,0,0|1,0,1]=3 676 B7R0.5 NC(CCBr)C(O)=O Amb21858417 [1,0,0,0,0,0|1,0,0]=2 677 B7R0.5 NC(CCF)C(N)=O Amb24391278 [1,0,0,0,0,0|2,0,0]=3 678 B7R0.5 NC(CCI)C(O)=O Amb25339674 [1,0,0,0,0,0|1,0,0]=2 679 B7R0.5 NC(CCO)C(N)=O Amb24481392 [1,0,0,0,0,0|1,1,0]=3 680 B7R0.5 NC(CCS)C(N)=O Amb24599383 [1,0,0,0,0,0|1,0,0]=2 681 B7R0.5 NC(CCS)C(O)=O Amb19267093 [1,0,0,0,0,0|0,0,0]=1 682 B7R0.5 NC(CS=O)C(O)=O Amb24557184 [1,0,0,0,0,0|1,0,1]=3 683 B7R0.5 NC(CSCl)C(O)=O Amb24482298 [1,0,0,0,0,0|1,0,0]=2 684 B7R0.5 NC(CSO)C(O)=O Amb24746797 [1,0,0,0,0,0|1,0,0]=2 685 B7R0.5 NC(CSS)C(O)=O Amb24614616 [1,0,0,0,0,0|1,0,0]=2 686 B7R0.5 NC(\C=C\Cl)C(O)=O Amb24483058 [1,0,0,0,0,0|1,0,2]=4 687 B7R0.5 NCCC(=O)C(O)=O Amb25724685 [1,0,0,0,0,0|2,0,1]=4 688 B7R0.5 NCCC(C(=O)O)F Amb10838221 [1,0,0,0,0,0|2,0,0]=3 689 B7R0.5 NCCC(C(=O)O)O Amb16232090 [1,0,0,0,0,0|2,0,0]=3 690 B7R0.5 NCCC(Cl)C(O)=O Amb18124502 [1,0,0,0,0,0|2,0,0]=3 691 B7R0.5 NCCC(F)C(O)=O Amb22229524 [1,0,0,0,0,0|2,0,0]=3 692 B7R0.5 NCCC(N)C(N)=O Amb24634873 [1,0,0,0,0,0|2,0,0]=3 693 B7R0.5 NCCC(N)C(O)=O Amb17678762 [1,0,0,0,0,0|1,0,0]=2 694 B7R0.5 NCCC(N)C(O)=O Amb22348212 [1,0,0,0,0,0|1,0,0]=2 695 B7R0.5 NCCC(S)C(O)=O Amb25083375 [1,0,0,0,0,0|2,0,0]=3 696 B7R0.5 NCC[C@@H](Cl)C(O)=O Amb24481492 [1,0,0,0,0,0|2,0,0]=3 697 B7R0.5 NCC[C@@H](F)C(O)=O Amb24055858 [1,0,0,0,0,0|2,0,0]=3 698 B7R0.5 NCC[C@@H](N)C(O)=O Amb22750574 [1,0,0,0,0,0|1,0,0]=2 699 B7R0.5 NCC[C@@H](N)C(O)=O Amb23438994 [1,0,0,0,0,0|1,0,0]=2 700 B7R0.5 NCC[C@@H](O)C(O)=O Amb22225364 [1,0,0,0,0,0|2,0,0]=3 701 B7R0.5 NCC[C@@H](O)C(O)=O Amb22748225 [1,0,0,0,0,0|2,0,0]=3 702 B7R0.5 NCC[C@H](F)C(O)=O Amb24055857 [1,0,0,0,0,0|2,0,0]=3 703 B7R0.5 NCC[C@H](N)C(O)=O Amb22886961 [1,0,0,0,0,0|1,0,0]=2 704 B7R0.5 NOCC(N)C(N)=O Amb24388788 [1,0,0,0,0,0|2,1,0]=4 705 B7R0.5 NOCC(N)C(O)=O Amb24184086 [1,0,0,0,0,0|1,1,0]=3 706 B7R0.5 NOC[C@@H](N)C(O)=O Amb25791301 [1,0,0,0,0,0|1,1,0]=3 707 B7R0.5 NOC[C@H](N)C(O)=O Amb24548229 [1,0,0,0,0,0|1,1,0]=3 708 B7R0.5 N[C@@H](C(=O)O)CC#C Amb16183954 [1,0,0,0,0,0|0,0,2]=3 709 B7R0.5 N[C@@H](C(=O)O)CCN Amb16183852 [1,0,0,0,0,0|1,0,0]=2 710 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [1,0,0,0,0,0|0,1,1]=3 711 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [1,0,0,0,0,0|0,1,1]=3 712 B7R0.5 N[C@@H](CCBr)C(O)=O Amb22748283 [1,0,0,0,0,0|1,0,0]=2 713 B7R0.5 N[C@@H](CCO)C(O)=O Amb20242705 [1,0,0,0,0,0|0,1,0]=2 714 B7R0.5 N[C@@H](CCS)P(O)=O Amb24594746 [1,0,0,0,0,0|1,0,0]=2 715 B7R0.5 N[C@@H](CCS)S(O)=O Amb25784628 [1,0,0,0,0,0|1,0,0]=2 716 B7R0.5 N[C@@H](CNO)C(O)=O Amb24481412 [1,0,0,0,0,0|1,1,0]=3 717 B7R0.5 N[C@@H](CO[SiH3])C(O)=O Amb24526864 [1,0,0,0,0,0|0,2,0]=3 718 B7R0.5 N[C@@H](CSCl)C(O)=O Amb25055747 [1,0,0,0,0,0|1,0,0]=2 719 B7R0.5 N[C@@H](CSO)C(O)=O Amb24481432 [1,0,0,0,0,0|1,0,0]=2 720 B7R0.5 N[C@H](C(=O)O)CC#N Amb16183916 [1,0,0,0,0,0|1,0,1]=3 721 B7R0.5 N[C@H](C(=O)O)CC=C Amb10982568 [1,0,0,0,0,0|0,0,2]=3 722 B7R0.5 N[C@H](C(=O)O)CCN Amb16183862 [1,0,0,0,0,0|1,0,0]=2 723 B7R0.5 N[C@H](CCS)C(O)=O Amb22230515 [1,0,0,0,0,0|0,0,0]=1 724 B7R0.5 N[C@H](CNO)C(O)=O Amb24745929 [1,0,0,0,0,0|1,1,0]=3 725 B7R0.5 N[C@H](\C=C\Cl)C(O)=O Amb25230190 [1,0,0,0,0,0|1,0,2]=4 726 B7R0.5 O=C(Br)C(Br)CCBr Amb22234970 [1,0,0,0,0,0|3,0,0]=4 727 B7R0.5 O=C(Cl)C(Br)CCBr Amb19930045 [1,0,0,0,0,0|3,0,0]=4 728 B7R0.5 O=C(Cl)C(Cl)CCCl Amb24423919 [1,0,0,0,0,0|3,0,0]=4 729 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [1,0,0,0,0,0|0,1,1]=3 730 B7R0.5 OC(=O)C(=O)CCCl Amb24592167 [1,0,0,0,0,0|2,0,1]=4 731 B7R0.5 OC(=O)C(=O)CCO Amb25677024 [1,0,0,0,0,0|1,1,1]=4 732 B7R0.5 OC(=O)C(Br)CCBr Amb19889695 [1,0,0,0,0,0|2,0,0]=3 733 B7R0.5 OC(=O)C(Br)CCF Amb25073798 [1,0,0,0,0,0|2,0,0]=3 734 B7R0.5 OC(=O)C(Cl)CCCl Amb18126030 [1,0,0,0,0,0|2,0,0]=3 735 B7R0.5 OC(=O)[C@H](S)CCS Amb24483251 [1,0,0,0,0,0|1,0,0]=2 736 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [1,0,0,0,0,0|1,1,1]=4 737 B7R0.5 OC(CCS)C(O)=O Amb24586206 [1,0,0,0,0,0|1,0,0]=2 738 B7R0.5 OCCC(O)C(O)=O Amb24689942 [1,0,0,0,0,0|1,1,0]=3 739 B7R0.5 O[15NH]CC(C(=O)O)N Amb17608097 [1,0,0,0,0,0|1,1,0]=3 740 B7R0.5 O[C@@H](CCF)C(O)=O Amb24481351 [1,0,0,0,0,0|2,0,0]=3 741 B9R0.3 CCCCC(O)P(O)(O)=O Amb25356317 [0,1,0,0,0,0|3,0,0]=4 742 B9R0.3 COCCC(O)P(O)(O)=O Amb24414858 [0,1,0,0,0,0|2,1,0]=4 743 B9R0.3 CSCCC(N)C(F)(F)F Amb24649613 [0,1,0,0,0,0|2,0,1]=4 744 B9R0.3 CSCCC(O)P(O)(O)=O Amb25140515 [0,1,0,0,0,0|2,0,0]=3 745 B9R0.3 CSCCC(O)S([O-])(=O)=O Amb22475712 [0,1,0,0,0,0|2,0,1]=4 746 B9R0.3 CSCC[C@@H](N)C(C)(C)O Amb22406055 [0,1,0,0,0,0|1,0,1]=3 747 B9R0.3 CSCC[C@@H](N)C(C)(C)O Amb24712389 [0,1,0,0,0,0|1,0,1]=3 748 B9R0.3 CSCC[C@H](N)C(C)(C)O Amb25118779 [0,1,0,0,0,0|1,0,1]=3 749 B9R0.6 C=CCC(N)C(O)C(O)=O Amb25147612 [0,1,0,0,0,0|2,0,1]=4 750 B9R0.6 C=CC[C@@H](O)[C@H](N)C(O)=O Amb24459826 [0,1,0,0,0,0|1,0,1]=3 751 B9R0.6 CC#C[C@H](O)[C@H](N)C(O)=O Amb25313389 [0,1,0,0,0,0|1,0,1]=3 752 B9R0.6 CC(C(C)CC=C)C(O)=O Amb18643938 [0,1,0,0,0,0|2,0,1]=4 753 B9R0.6 CC(C(C)CC=O)C(O)=O Amb18644133 [0,1,0,0,0,0|3,0,0]=4 754 B9R0.6 CC(C(C)CNC)C(O)=O Amb25379230 [0,1,0,0,0,0|2,0,0]=3 755 B9R0.6 CC(C(C)COC)C(C)=O Amb24701910 [0,1,0,0,0,0|2,1,0]=4 756 B9R0.6 CC(C(C)COC)C(N)=O Amb25682872 [0,1,0,0,0,0|2,1,0]=4 757 B9R0.6 CC(C(C)NOC)C(O)=O Amb24465798 [0,1,0,0,0,0|2,1,0]=4 758 B9R0.6 CC(C(N)CCC)C(O)=O Amb24763852 [0,1,0,0,0,0|2,0,0]=3 759 B9R0.6 CC(C(O)CCC)C(O)=O Amb18310700 [0,1,0,0,0,0|2,0,0]=3 760 B9R0.6 CC(C(O)\C=C\C)C(O)=O Amb18644138 [0,1,0,0,0,0|2,0,1]=4 761 B9R0.6 CC(C=C=C)C(N)C(O)=O Amb25785751 [0,1,0,0,0,0|1,0,2]=4 762 B9R0.6 CC(CCC)C(Br)C(N)=O Amb24451592 [0,1,0,0,0,0|3,0,0]=4 763 B9R0.6 CC(CCC)C(Cl)C(N)=O Amb18800738 [0,1,0,0,0,0|3,0,0]=4 764 B9R0.6 CC(CCC)C(F)C(C)=O Amb25146866 [0,1,0,0,0,0|3,0,0]=4 765 B9R0.6 CC(CCC)C(N)C(C)=C Amb25357806 [0,1,0,0,0,0|3,0,0]=4 766 B9R0.6 CC(CCC)C(N)C(O)=O Amb20622789 [0,1,0,0,0,0|1,0,0]=2 767 B9R0.6 CC(CCC)C(S)C(O)=O Amb24438702 [0,1,0,0,0,0|2,0,0]=3 768 B9R0.6 CC(CCCl)C(N)C(O)=O Amb25803640 [0,1,0,0,0,0|2,0,0]=3 769 B9R0.6 CC(CCN)C(N)C(O)=O Amb25309114 [0,1,0,0,0,0|2,0,0]=3 770 B9R0.6 CC(CCO)C(N)C(O)=O Amb25054791 [0,1,0,0,0,0|2,0,0]=3 771 B9R0.6 CC(CCO)C(O)C(O)=O Amb24392760 [0,1,0,0,0,0|3,0,0]=4 772 B9R0.6 CC(CCO)[C@H](N)C(O)=O Amb24744497 [0,1,0,0,0,0|2,0,0]=3 773 B9R0.6 CC(COC)C(N)C(N)=O Amb24468545 [0,1,0,0,0,0|1,1,0]=3 774 B9R0.6 CC(COC)C(N)C(O)=O Amb24116980 [0,1,0,0,0,0|0,1,0]=2 775 B9R0.6 CC(COC)[C@H](N)C(O)=O Amb25729786 [0,1,0,0,0,0|0,1,0]=2 776 B9R0.6 CC(CSC)[C@@H](N)C(O)=O Amb24482316 [0,1,0,0,0,0|0,0,0]=1 777 B9R0.6 CC(N=[N+]=[N-])C(N)C(O)=O Amb24477179 [0,1,0,0,0,0|3,0,0]=4 778 B9R0.6 CC(NCC)C(O)C(O)=O Amb25679409 [0,1,0,0,0,0|3,0,0]=4 779 B9R0.6 CC(OCC)C(Br)C(O)=O Amb24416715 [0,1,0,0,0,0|3,0,0]=4 780 B9R0.6 CC(OCC)[C@H](S)C(O)=O Amb25053429 [0,1,0,0,0,0|3,0,0]=4 781 B9R0.6 CC(OCO)C(N)C(O)=O Amb24567906 [0,1,0,0,0,0|3,0,0]=4 782 B9R0.6 CC([C@H](N)CCC)C(O)=O Amb25238448 [0,1,0,0,0,0|2,0,0]=3 783 B9R0.6 CC(\C=C\C)C(Br)C(O)=O Amb25703798 [0,1,0,0,0,0|2,0,1]=4 784 B9R0.6 CC(\C=C\C)C(F)C(O)=O Amb24595961 [0,1,0,0,0,0|2,0,1]=4 785 B9R0.6 CC(\C=C\C)C(O)C(O)=O Amb18644120 [0,1,0,0,0,0|2,0,1]=4 786 B9R0.6 CCCC(Br)C(O)C(O)=O Amb25229083 [0,1,0,0,0,0|2,0,0]=3 787 B9R0.6 CCCC(C(C(=O)C)C)O Amb17593628 [0,1,0,0,0,0|3,0,0]=4 788 B9R0.6 CCCC(C(C(=O)O)N)F Amb10839857 [0,1,0,0,0,0|1,0,0]=2 789 B9R0.6 CCCC(C)C(=O)C(O)=O Amb24747027 [0,1,0,0,0,0|2,0,1]=4 790 B9R0.6 CCCC(C)C(C)C(C)=O Amb24396748 [0,1,0,0,0,0|3,0,0]=4 791 B9R0.6 CCCC(C)C(C)C(N)=O Amb25361926 [0,1,0,0,0,0|3,0,0]=4 792 B9R0.6 CCCC(N)C(O)C(N)=O Amb20247342 [0,1,0,0,0,0|3,0,0]=4 793 B9R0.6 CCCC(N)C(O)C(O)=O Amb20242874 [0,1,0,0,0,0|2,0,0]=3 794 B9R0.6 CCCC(O)C(=C)C(O)=O Amb25131217 [0,1,0,0,0,0|2,0,1]=4 795 B9R0.6 CCCC(O)C(Br)C(O)=O Amb24633342 [0,1,0,0,0,0|2,0,0]=3 796 B9R0.6 CCCC(O)C(N)C(N)=O Amb25375285 [0,1,0,0,0,0|2,0,0]=3 797 B9R0.6 CCCC(O)C(N)C(O)=O Amb18124815 [0,1,0,0,0,0|1,0,0]=2 798 B9R0.6 CCCC(O)[C@@H](N)C(O)=O Amb25268432 [0,1,0,0,0,0|1,0,0]=2 799 B9R0.6 CCCC(S)[C@H](N)C(O)=O Amb24359854 [0,1,0,0,0,0|1,0,0]=2 800 B9R0.6 CCCN(C)[C@@H](C)C(O)=O Amb25834811 [0,1,0,0,0,0|3,0,0]=4 801 B9R0.6 CCCS(=O)C(C)C(O)=O Amb18304634 [0,1,0,0,0,0|3,0,0]=4 802 B9R0.6 CCC[C@@H](N)[C@@H](O)C(O)=O Amb22747816 [0,1,0,0,0,0|2,0,0]=3 803 B9R0.6 CCC[C@@H](N)[C@H](O)C(O)=O Amb22747809 [0,1,0,0,0,0|2,0,0]=3 804 B9R0.6 CCC[C@@H](O)[C@@H](N)C(O)=O Amb25367288 [0,1,0,0,0,0|1,0,0]=2 805 B9R0.6 CCC[C@@H](O)[C@H](N)C(O)=O Amb24715802 [0,1,0,0,0,0|1,0,0]=2 806 B9R0.6 CCC[C@@H](O)[C@H](O)C(C)=O Amb25282703 [0,1,0,0,0,0|3,0,0]=4 807 B9R0.6 CCC[C@@H](O)[C@H](O)C(O)=O Amb24480722 [0,1,0,0,0,0|2,0,0]=3 808 B9R0.6 CCC[C@H](N)C(O)C(N)=O Amb25303990 [0,1,0,0,0,0|3,0,0]=4 809 B9R0.6 CCC[C@H](N)[C@H](O)C(O)=O Amb25084552 [0,1,0,0,0,0|2,0,0]=3 810 B9R0.6 CCC[C@H](O)[C@@H](Br)C(O)=O Amb25309541 [0,1,0,0,0,0|2,0,0]=3 811 B9R0.6 CCC[C@H](O)[C@H](Br)C(O)=O Amb24727027 [0,1,0,0,0,0|2,0,0]=3 812 B9R0.6 CCC[C@H](O)[C@H](N)C(O)=O Amb25113866 [0,1,0,0,0,0|1,0,0]=2 813 B9R0.6 COCC(=C)C(O)C(O)=O Amb24607009 [0,1,0,0,0,0|1,1,1]=4 814 B9R0.6 COCC(O)=C(N)C(O)=O Amb25340695 [0,1,0,0,0,0|0,1,2]=4 815 B9R0.6 COCC(O)C(N)C(O)=O Amb25147551 [0,1,0,0,0,0|0,1,0]=2 816 B9R0.6 CSCC(C)N(C)C(=O)Cl Amb24479468 [0,1,0,0,0,0|3,0,0]=4 817 B9R0.6 CSCC(C)N(C)C(C)=O Amb24432891 [0,1,0,0,0,0|3,0,0]=4 818 B9R0.6 CSCC(O)C(N)C(O)=O Amb18646340 [0,1,0,0,0,0|0,0,0]=1 819 B9R0.6 C[C@@H](CCC)[C@H](O)C(O)=O Amb25368297 [0,1,0,0,0,0|2,0,0]=3 820 B9R0.6 C[C@@H](CCF)[C@H](N)C(O)=O Amb25147533 [0,1,0,0,0,0|2,0,0]=3 821 B9R0.6 C[C@@H](CCO)[C@H](N)C(O)=O Amb25709206 [0,1,0,0,0,0|2,0,0]=3 822 B9R0.6 C[C@@H](OCC)[C@@H](N)C(O)=O Amb22747686 [0,1,0,0,0,0|2,0,0]=3 823 B9R0.6 C[C@@H]([C@@H](C(=O)O)N)OCC Amb10807408 [0,1,0,0,0,0|2,0,0]=3 824 B9R0.6 C[C@@H]([C@@H](O)CCC)C(O)=O Amb24445556 [0,1,0,0,0,0|2,0,0]=3 825 B9R0.6 C[C@@H]([C@H](O)CCC)C(O)=O Amb24529277 [0,1,0,0,0,0|2,0,0]=3 826 B9R0.6 C[C@@H]([C@H](O)\C=C\C)C(O)=O Amb25340404 [0,1,0,0,0,0|2,0,1]=4 827 B9R0.6 C[C@@H](\C=C\C)[C@@H](O)C(O)=O Amb24480683 [0,1,0,0,0,0|2,0,1]=4 828 B9R0.6 C[C@@H](\C=C\C)[C@H](Br)C(O)=O Amb25309543 [0,1,0,0,0,0|2,0,1]=4 829 B9R0.6 C[C@H](C(O)CCC)C(O)=O Amb25096562 [0,1,0,0,0,0|2,0,0]=3 830 B9R0.6 C[C@H](CC=C)[C@H](N)C(O)=O Amb25347201 [0,1,0,0,0,0|1,0,1]=3 831 B9R0.6 C[C@H](CCC)[C@H](N)C(O)=O Amb25062732 [0,1,0,0,0,0|1,0,0]=2 832 B9R0.6 C[C@H](CCC)[C@H](O)C(O)=O Amb25786123 [0,1,0,0,0,0|2,0,0]=3 833 B9R0.6 C[C@H](CCF)[C@H](N)C(O)=O Amb25132099 [0,1,0,0,0,0|2,0,0]=3 834 B9R0.6 C[C@H](CCO)[C@H](N)C(O)=O Amb25111969 [0,1,0,0,0,0|2,0,0]=3 835 B9R0.6 C[C@H](CCO)[C@H](O)C(O)=O Amb25122108 [0,1,0,0,0,0|3,0,0]=4 836 B9R0.6 C[C@H](CSC)[C@@H](N)C(O)=O Amb24642749 [0,1,0,0,0,0|0,0,0]=1 837 B9R0.6 C[C@H](CSC)[C@H](N)C(O)=O Amb25851133 [0,1,0,0,0,0|0,0,0]=1 838 B9R0.6 C[C@H]([C@@H](O)CCC)C(C)=O Amb25145582 [0,1,0,0,0,0|3,0,0]=4 839 B9R0.6 C[C@H]([C@@H](O)CCC)C(O)=O Amb25789993 [0,1,0,0,0,0|2,0,0]=3 840 B9R0.6 C[C@H]([C@@H](O)\C=C\C)C(O)=O Amb24359088 [0,1,0,0,0,0|2,0,1]=4 841 B9R0.6 C[C@H]([C@H](C)NOC)C(O)=O Amb24451571 [0,1,0,0,0,0|2,1,0]=4 842 B9R0.6 C[C@H]([C@H](O)CCC)C(C)=O Amb25128812 [0,1,0,0,0,0|3,0,0]=4 843 B9R0.6 C[C@H]([C@H](O)\C=C\C)C(O)=O Amb25378724 [0,1,0,0,0,0|2,0,1]=4 844 B9R0.6 C[C@H](\C=C\C)[C@H](F)C(O)=O Amb25727302 [0,1,0,0,0,0|2,0,1]=4 845 B9R0.6 NC(C(S)CCO)C(O)=O Amb24724703 [0,1,0,0,0,0|2,0,0]=3 846 B9R0.6 N[C@@H](C(S)CCO)C(O)=O Amb25320812 [0,1,0,0,0,0|2,0,0]=3 847 B9R0.6 OCCC(O)C(O)C(O)=O Amb24482452 [0,1,0,0,0,0|3,0,0]=4 848 B9R0.7 CC(=C)CCC(C)C(O)=O Amb25809141 [0,1,0,0,0,0|2,0,0]=3 849 B9R0.7 CC(=C)CC[C@@H](C)C(O)=O Amb25685103 [0,1,0,0,0,0|2,0,0]=3 850 B9R0.7 CC(=C)CC[C@@H](N)C(O)=O Amb25775219 [0,1,0,0,0,0|1,0,0]=2 851 B9R0.7 CC(=C)COC(C)C(O)=O Amb24549744 [0,1,0,0,0,0|3,0,0]=4 852 B9R0.7 CC(=C)CO[C@@H](C)C(O)=O Amb24505175 [0,1,0,0,0,0|3,0,0]=4 853 B9R0.7 CC(=C)CO[C@H](C)C(O)=O Amb25772492 [0,1,0,0,0,0|3,0,0]=4 854 B9R0.7 CC(=N)SCC(Cl)C(O)=O Amb18648569 [0,1,0,0,0,0|3,0,0]=4 855 B9R0.7 CC(=O)C(N)CCC(N)=O Amb25231237 [0,1,0,0,0,0|3,0,0]=4 856 B9R0.7 CC(=O)CCC(C)C(C)=O Amb25146789 [0,1,0,0,0,0|3,0,0]=4 857 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [0,1,0,0,0,0|2,0,0]=3 858 B9R0.7 CC(=O)CCC(F)C(C)=O Amb25369738 [0,1,0,0,0,0|3,0,0]=4 859 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [0,1,0,0,0,0|1,0,0]=2 860 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [0,1,0,0,0,0|1,0,0]=2 861 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [0,1,0,0,0,0|1,0,0]=2 862 B9R0.7 CC(=O)CC[C@H](C)C(C)=O Amb25692099 [0,1,0,0,0,0|3,0,0]=4 863 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [0,1,0,0,0,0|1,0,0]=2 864 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [0,1,0,0,0,0|3,0,0]=4 865 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [0,1,0,0,0,0|3,0,0]=4 866 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [0,1,0,0,0,0|3,0,0]=4 867 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [0,1,0,0,0,0|3,0,0]=4 868 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [0,1,0,0,0,0|2,0,0]=3 869 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [0,1,0,0,0,0|3,0,0]=4 870 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [0,1,0,0,0,0|2,0,0]=3 871 B9R0.7 CC(=O)OCC(Cl)C(O)=O Amb24425506 [0,1,0,0,0,0|3,0,0]=4 872 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [0,1,0,0,0,0|3,0,0]=4 873 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [0,1,0,0,0,0|2,0,0]=3 874 B9R0.7 CC(=O)SCC(Cl)C(O)=O Amb24423824 [0,1,0,0,0,0|3,0,0]=4 875 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [0,1,0,0,0,0|2,0,0]=3 876 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [0,1,0,0,0,0|2,0,0]=3 877 B9R0.7 CC(=O)[C@@H](N)CCC(N)=O Amb25142080 [0,1,0,0,0,0|3,0,0]=4 878 B9R0.7 CC(=O)[C@@H](N)CCC(O)=O Amb24386065 [0,1,0,0,0,0|3,0,0]=4 879 B9R0.7 CC(C)=CCC(C)C(O)=O Amb18643879 [0,1,0,0,0,0|2,0,1]=4 880 B9R0.7 CC(C)=CCC(F)C(O)=O Amb24480809 [0,1,0,0,0,0|2,0,1]=4 881 B9R0.7 CC(C)=CCC(N)C(N)=O Amb24697159 [0,1,0,0,0,0|2,0,1]=4 882 B9R0.7 CC(C)=CC[C@@H](C)C(O)=O Amb24698988 [0,1,0,0,0,0|2,0,1]=4 883 B9R0.7 CC(C)=CC[C@H](N)C(O)=O Amb25836895 [0,1,0,0,0,0|1,0,1]=3 884 B9R0.7 CC(C)CCC(Br)C(C)=O Amb25828882 [0,1,0,0,0,0|3,0,0]=4 885 B9R0.7 CC(C)CCC(Br)C(O)=O Amb18131059 [0,1,0,0,0,0|2,0,0]=3 886 B9R0.7 CC(C)CCC(C)C(C)=O Amb24392384 [0,1,0,0,0,0|3,0,0]=4 887 B9R0.7 CC(C)CCC(C)C(O)=O Amb19033547 [0,1,0,0,0,0|2,0,0]=3 888 B9R0.7 CC(C)CCC(Cl)C(=O)Cl Amb25225638 [0,1,0,0,0,0|3,0,0]=4 889 B9R0.7 CC(C)CCC(Cl)C(N)=O Amb25362428 [0,1,0,0,0,0|3,0,0]=4 890 B9R0.7 CC(C)CCC(F)C(C)=O Amb24383731 [0,1,0,0,0,0|3,0,0]=4 891 B9R0.7 CC(C)CCC(N)C(C)=C Amb25765968 [0,1,0,0,0,0|3,0,0]=4 892 B9R0.7 CC(C)CCC(N)C(C)=O Amb18831542 [0,1,0,0,0,0|2,0,0]=3 893 B9R0.7 CC(C)CCC(N)C(C)O Amb18124763 [0,1,0,0,0,0|2,0,1]=4 894 B9R0.7 CC(C)CCC(N)C(O)=O Amb19269152 [0,1,0,0,0,0|1,0,0]=2 895 B9R0.7 CC(C)CCC(O)C(C)=O Amb24502166 [0,1,0,0,0,0|3,0,0]=4 896 B9R0.7 CC(C)CCC(O)C(N)=O Amb25210125 [0,1,0,0,0,0|3,0,0]=4 897 B9R0.7 CC(C)CC[C@@H](N)C(=O)Cl Amb25086091 [0,1,0,0,0,0|2,0,0]=3 898 B9R0.7 CC(C)CC[C@@H](N)C(O)=O Amb19133196 [0,1,0,0,0,0|1,0,0]=2 899 B9R0.7 CC(C)CC[C@@H](N)C(O)=O Amb22899130 [0,1,0,0,0,0|1,0,0]=2 900 B9R0.7 CC(C)CC[C@H](Cl)C(=O)Cl Amb24544198 [0,1,0,0,0,0|3,0,0]=4 901 B9R0.7 CC(C)CC[C@H](F)C(C)=O Amb25050234 [0,1,0,0,0,0|3,0,0]=4 902 B9R0.7 CC(C)CC[C@H](O)C(C)=O Amb25059211 [0,1,0,0,0,0|3,0,0]=4 903 B9R0.7 CC(C)CN[C@H](C)C(O)=O Amb25300819 [0,1,0,0,0,0|3,0,0]=4 904 B9R0.7 CC(C)NCC(N)C(O)=O Amb25790256 [0,1,0,0,0,0|2,0,0]=3 905 B9R0.7 CC(C)NC[C@H](N)C(O)=O Amb24682685 [0,1,0,0,0,0|2,0,0]=3 906 B9R0.7 CC(C)NC[C@H](O)C(O)=O Amb24479668 [0,1,0,0,0,0|3,0,0]=4 907 B9R0.7 CC(C)OCC(N)C(N)=O Amb25104507 [0,1,0,0,0,0|3,0,0]=4 908 B9R0.7 CC(C)OCC(O)C(O)=O Amb24583914 [0,1,0,0,0,0|3,0,0]=4 909 B9R0.7 CC(C)OC[C@@H](N)C(N)=O Amb25267850 [0,1,0,0,0,0|3,0,0]=4 910 B9R0.7 CC(C)OC[C@@H](N)C(O)=O Amb24479342 [0,1,0,0,0,0|2,0,0]=3 911 B9R0.7 CC(C)OC[C@H](O)C(O)=O Amb24480796 [0,1,0,0,0,0|3,0,0]=4 912 B9R0.7 CC(C)SCC(C)C(O)=O Amb18303880 [0,1,0,0,0,0|3,0,0]=4 913 B9R0.7 CC(C)SCC(N)C(N)=O Amb18788147 [0,1,0,0,0,0|3,0,0]=4 914 B9R0.7 CC(C)SCC(O)C(O)=O Amb24728812 [0,1,0,0,0,0|3,0,0]=4 915 B9R0.7 CC(C)SC[C@@H](N)C(O)=O Amb18792510 [0,1,0,0,0,0|2,0,0]=3 916 B9R0.7 CC(C)SC[C@H](N)C(O)=O Amb25087870 [0,1,0,0,0,0|2,0,0]=3 917 B9R0.7 CC(C)SC[C@H](O)C(O)=O Amb25362660 [0,1,0,0,0,0|3,0,0]=4 918 B9R0.7 CC(CCC(C)Br)C(O)=O Amb24452260 [0,1,0,0,0,0|2,0,0]=3 919 B9R0.7 CC(Cl)=CCC(N)C(O)=O Amb25326840 [0,1,0,0,0,0|1,0,1]=3 920 B9R0.7 CC(Cl)=CC[C@H](N)C(O)=O Amb24518555 [0,1,0,0,0,0|1,0,1]=3 921 B9R0.7 CC(Cl)CCC(N)C(O)=O Amb24692699 [0,1,0,0,0,0|1,0,0]=2 922 B9R0.7 CC(Cl)CC[C@H](N)C(O)=O Amb24692939 [0,1,0,0,0,0|1,0,0]=2 923 B9R0.7 CC(F)=CCC(N)C(O)=O Amb24354283 [0,1,0,0,0,0|1,0,1]=3 924 B9R0.7 CC(NCC(C)N)C(O)=O Amb24599775 [0,1,0,0,0,0|3,0,0]=4 925 B9R0.7 CC(O)CCC(=C)C(O)=O Amb24375911 [0,1,0,0,0,0|2,0,1]=4 926 B9R0.7 CC(O)CCC(C)C(O)=O Amb25848509 [0,1,0,0,0,0|2,0,0]=3 927 B9R0.7 CC(O)CCC(F)C(C)=O Amb25093785 [0,1,0,0,0,0|3,0,0]=4 928 B9R0.7 CC(O)CNC(C)C(O)=O Amb18523859 [0,1,0,0,0,0|3,0,0]=4 929 B9R0.7 CC(O)CN[C@@H](C)C(O)=O Amb25129862 [0,1,0,0,0,0|3,0,0]=4 930 B9R0.7 CC(O)COC(C)C(O)=O Amb25146942 [0,1,0,0,0,0|3,0,0]=4 931 B9R0.7 CC(O)CSC(C)C(O)=O Amb18303285 [0,1,0,0,0,0|3,0,0]=4 932 B9R0.7 CC(O)NC[C@H](N)C(O)=O Amb24575047 [0,1,0,0,0,0|2,0,0]=3 933 B9R0.7 CC(OCC(C)F)C(O)=O Amb25350495 [0,1,0,0,0,0|3,0,0]=4 934 B9R0.7 CC(SCC(C)N)C(O)=O Amb25224815 [0,1,0,0,0,0|3,0,0]=4 935 B9R0.7 CN(C)CCC(N)C(N)=O Amb19036813 [0,1,0,0,0,0|2,0,0]=3 936 B9R0.7 CN(C)CC[C@H](N)C(O)=O Amb25108550 [0,1,0,0,0,0|1,0,0]=2 937 B9R0.7 CN(C)NCC(N)C(N)=O Amb25782297 [0,1,0,0,0,0|3,0,0]=4 938 B9R0.7 CN(C)NCC(O)C(O)=O Amb24683018 [0,1,0,0,0,0|3,0,0]=4 939 B9R0.7 CP(=O)OCC(N)C(O)=O Amb24724745 [0,1,0,0,0,0|2,0,0]=3 940 B9R0.7 CP(=O)OC[C@H](N)C(O)=O Amb25362185 [0,1,0,0,0,0|2,0,0]=3 941 B9R0.7 CP(O)CCC(N)C(O)=O Amb25295427 [0,1,0,0,0,0|1,0,0]=2 942 B9R0.7 CS(=N)CCC(N)C(O)=O Amb25243030 [0,1,0,0,0,0|0,0,1]=2 943 B9R0.7 CS(=N)CC[C@H](N)C(O)=O Amb25100927 [0,1,0,0,0,0|0,0,1]=2 944 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O Amb19133021 [0,1,0,0,0,0|0,0,1]=2 945 B9R0.7 CS(=O)NCC(O)C(O)=O Amb25177159 [0,1,0,0,0,0|2,0,1]=4 946 B9R0.7 CS(=O)NC[C@H](N)C(O)=O Amb25798536 [0,1,0,0,0,0|1,0,1]=3 947 B9R0.7 CS(C)CCC(N)C(O)=O Amb25695887 [0,1,0,0,0,0|0,0,1]=2 948 B9R0.7 CS(C)CC[C@H](N)C(O)=O Amb24440849 [0,1,0,0,0,0|0,0,1]=2 949 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [0,1,0,0,0,0|3,0,0]=4 950 B9R0.7 C[C@@H](CC[N+]([O-])=O)C(O)=O Amb24330210 [0,1,0,0,0,0|3,0,0]=4 951 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [0,1,0,0,0,0|3,0,0]=4 952 B9R0.7 C[C@H](N)CC[C@@H](N)C(O)=O Amb25199121 [0,1,0,0,0,0|1,0,0]=2 953 B9R0.7 C[C@H](O)CC[C@@H](C)C(O)=O Amb25378744 [0,1,0,0,0,0|2,0,0]=3 954 B9R0.7 C[S+](C)CC[C@@H](N)C(O)=O Amb22800534 [0,1,0,0,0,0|0,0,1]=2 955 B9R0.7 C[S+](C)CC[C@@H](N)C(O)=O Amb22800551 [0,1,0,0,0,0|0,0,1]=2 956 B9R0.7 C[S+](C)CC[C@H](O)C([O-])=O Amb24407452 [0,1,0,0,0,0|1,0,2]=4 957 B9R0.7 C\C(=C\CC(C(=O)O)Cl)\Cl Amb17594711 [0,1,0,0,0,0|2,0,1]=4 958 B9R0.7 C\C(\Cl)=C\CC(C)C(O)=O Amb18126350 [0,1,0,0,0,0|2,0,1]=4 959 B9R0.7 C\C(\Cl)=C\CC(N)C(O)=O Amb24692752 [0,1,0,0,0,0|1,0,1]=3 960 B9R0.7 C\C(\Cl)=C\C[C@H](N)C(O)=O Amb24629700 [0,1,0,0,0,0|1,0,1]=3 961 B9R0.7 NC(=N)NCC(N)C(O)=O Amb22169574 [0,1,0,0,0,0|3,0,0]=4 962 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N Amb16232025 [0,1,0,0,0,0|3,0,0]=4 963 B9R0.7 NC(=O)C(N)CCC(O)=O Amb18644256 [0,1,0,0,0,0|3,0,0]=4 964 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [0,1,0,0,0,0|3,0,0]=4 965 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [0,1,0,0,0,0|3,0,0]=4 966 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [0,1,0,0,0,0|2,0,0]=3 967 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,1,0,0,0,0|3,0,0]=4 968 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,1,0,0,0,0|3,0,0]=4 970 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [0,1,0,0,0,0|3,0,0]=4 971 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [0,1,0,0,0,0|3,0,0]=4 972 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [0,1,0,0,0,0|3,0,0]=4 973 B9R0.7 NC(=O)[C@@H](N)CCC(O)=O Amb22745051 [0,1,0,0,0,0|3,0,0]=4 974 B9R0.7 NC(=O)[C@H](N)CCC(O)=O Amb24557281 [0,1,0,0,0,0|3,0,0]=4 975 B9R0.7 NC(CCB(O)O)C(O)=O Amb22497480 [0,1,0,0,0,0|2,0,0]=3 976 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [0,1,0,0,0,0|2,0,0]=3 977 B9R0.7 NC(CCC(=O)Cl)C(=O)Cl Amb25101509 [0,1,0,0,0,0|3,0,0]=4 978 B9R0.7 NC(CCC(O)=O)C(=O)[Na] Amb24375221 [0,1,0,0,0,0|3,0,0]=4 979 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,1,0,0,0,0|2,0,0]=3 980 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,1,0,0,0,0|2,0,0]=3 981 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [0,1,0,0,0,0|3,0,0]=4 982 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [0,1,0,0,0,0|2,0,0]=3 984 B9R0.7 NC(CCC([O-])=O)C([O-])=O Amb22369354 [0,1,0,0,0,0|2,0,1]=4 985 B9R0.7 NC(CCP(O)=O)C(O)=O Amb25276313 [0,1,0,0,0,0|2,0,0]=3 986 B9R0.7 NC(CCS(O)=O)C(O)=O Amb22349645 [0,1,0,0,0,0|1,0,1]=3 987 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,1,0,0,0,0|2,0,0]=3 988 B9R0.7 NC(COS(=O)F)C(O)=O Amb24681444 [0,1,0,0,0,0|2,0,1]=4 989 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [0,1,0,0,0,0|2,0,0]=3 990 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [0,1,0,0,0,0|2,0,0]=3 991 B9R0.7 N[C@@H](CC=C(F)F)C(O)=O Amb25844566 [0,1,0,0,0,0|2,0,1]=4 992 B9R0.7 N[C@@H](CC=S(=O)=O)C(O)=O Amb24390366 [0,1,0,0,0,0|1,0,2]=4 993 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [0,1,0,0,0,0|2,0,0]=3 994 B9R0.7 N[C@@H](CCC(=O)Cl)C(=O)Cl Amb25138653 [0,1,0,0,0,0|3,0,0]=4 995 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [0,1,0,0,0,0|2,0,0]=3 996 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O Amb22745619 [0,1,0,0,0,0|2,0,1]=4 997 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,1,0,0,0,0|2,0,0]=3 998 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [0,1,0,0,0,0|2,0,0]=3 999 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [0,1,0,0,0,0|2,0,0]=3 1000 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [0,1,0,0,0,0|2,0,0]=3 1001 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [0,1,0,0,0,0|2,0,0]=3 1002 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [0,1,0,0,0,0|2,0,0]=3 1003 B9R0.7 N[C@@H](CCC([O-])=O)C([O-])=O Amb22799952 [0,1,0,0,0,0|2,0,1]=4 1004 B9R0.7 N[C@@H](CCP(O)=O)C(O)=O Amb22904307 [0,1,0,0,0,0|2,0,0]=3 1005 B9R0.7 N[C@@H](CC[N+]([O-])=O)C(O)=O Amb25227987 [0,1,0,0,0,0|2,0,0]=3 1006 B9R0.7 N[C@@H](CN[N+]([O-])=O)C(O)=O Amb24704075 [0,1,0,0,0,0|3,0,0]=4 1007 B9R0.7 N[C@@H](CSC(F)F)C(O)=O Amb18180315 [0,1,0,0,0,0|3,0,0]=4 1008 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,1,0,0,0,0|2,0,0]=3 1009 B9R0.7 N[C@H](C(=O)O)CCC(C)C Amb16183866 [0,1,0,0,0,0|1,0,0]=2 1010 B9R0.7 N[C@H](C(=O)O)CC[S+](C)C Amb10601599 [0,1,0,0,0,0|0,0,1]=2 1011 B9R0.7 N[C@H](CCS(O)=O)C(O)=O Amb24099404 [0,1,0,0,0,0|1,0,1]=3 1012 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [0,1,0,0,0,0|3,0,0]=4 1013 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,1,0,0,0,0|2,0,0]=3 1014 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [0,1,0,0,0,0|3,0,0]=4 1015 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [0,1,0,0,0,0|3,0,0]=4 1016 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [0,1,0,0,0,0|3,0,0]=4 1017 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [0,1,0,0,0,0|2,0,0]=3 1018 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [0,1,0,0,0,0|2,0,0]=3 1019 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,1,0,0,0,0|2,0,0]=3 1020 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,1,0,0,0,0|2,0,0]=3 1021 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [0,1,0,0,0,0|2,0,0]=3 1022 B9R0.7 [O-][N+](=O)CC[C@H](C(=O)O)C Amb13883662 [0,1,0,0,0,0|3,0,0]=4 1023 B9R0.8 C=CCCC(N)C(=O)C=C Amb24398141 [0,1,0,0,0,0|2,0,1]=4 1024 B9R0.8 C=CCCC(N)C(=O)NN Amb24470312 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.8 CC#CCC(N)C(=O)OC Amb25076019 [0,1,0,0,0,0|1,0,1]=3 1026 B9R0.8 CC#CC[C@H](N)C(=O)OC Amb25141709 [0,1,0,0,0,0|1,0,1]=3 1027 B9R0.8 CC(CCCN)C(=O)NO Amb25230525 [0,1,0,0,0,0|3,0,0]=4 1028 B9R0.8 CC(CCSC)C(O)CC Amb24442763 [0,1,0,0,0,0|2,0,1]=4 1029 B9R0.8 CCC(=O)C(C)CCSC Amb25303660 [0,1,0,0,0,0|2,0,0]=3 1030 B9R0.8 CCC(=O)C(N)CCC=C Amb25287718 [0,1,0,0,0,0|2,0,1]=4 1031 B9R0.8 CCCCC(=O)C(=O)OC Amb22755702 [0,1,0,0,0,0|2,0,1]=4 1032 B9R0.8 CCCCC(Br)C(=O)CC Amb24383150 [0,1,0,0,0,0|3,0,0]=4 1033 B9R0.8 CCCCC(Br)C(=O)NC Amb25112130 [0,1,0,0,0,0|3,0,0]=4 1034 B9R0.8 CCCCC(Br)C(=O)OC Amb19514695 [0,1,0,0,0,0|2,0,0]=3 1035 B9R0.8 CCCCC(C)C(=O)C#C Amb24481163 [0,1,0,0,0,0|3,0,0]=4 1036 B9R0.8 CCCCC(C)C(=O)CBr Amb25852950 [0,1,0,0,0,0|3,0,0]=4 1037 B9R0.8 CCCCC(C)C(=O)CC Amb25359211 [0,1,0,0,0,0|3,0,0]=4 1038 B9R0.8 CCCCC(C)C(=O)CCl Amb24479196 [0,1,0,0,0,0|3,0,0]=4 1039 B9R0.8 CCCCC(C)C(=O)CN Amb24481155 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.8 CCCCC(Cl)C(=O)NC Amb18800742 [0,1,0,0,0,0|3,0,0]=4 1041 B9R0.8 CCCCC(Cl)C(=O)OC Amb18800859 [0,1,0,0,0,0|2,0,0]=3 1042 B9R0.8 CCCCC(N)C(=O)C#C Amb24697836 [0,1,0,0,0,0|2,0,0]=3 1043 B9R0.8 CCCCC(N)C(=O)CC Amb25757616 [0,1,0,0,0,0|2,0,0]=3 1044 B9R0.8 CCCCC(N)C(=O)CCl Amb25065023 [0,1,0,0,0,0|2,0,0]=3 1045 B9R0.8 CCCCC(N)C(=O)NC Amb18303660 [0,1,0,0,0,0|2,0,0]=3 1046 B9R0.8 CCCCC(N)C(=O)NO Amb22059372 [0,1,0,0,0,0|1,0,0]=2 1047 B9R0.8 CCCCC(N)C(C)=C=C Amb25340336 [0,1,0,0,0,0|3,0,0]=4 1048 B9R0.8 CCCCC(N)C(O)=NO Amb20669518 [0,1,0,0,0,0|1,0,1]=3 1049 B9R0.8 CCCCC(O)C(=O)CC Amb25714343 [0,1,0,0,0,0|3,0,0]=4 1050 B9R0.8 CCCCC(O)C(=O)NN Amb25222246 [0,1,0,0,0,0|3,0,0]=4 1051 B9R0.8 CCCCC(O)C(=O)NO Amb24482809 [0,1,0,0,0,0|2,0,0]=3 1052 B9R0.8 CCCCC(O)C(=O)OC Amb23596568 [0,1,0,0,0,0|2,0,0]=3 1053 B9R0.8 CCCCC(O)C(=O)SC Amb24748546 [0,1,0,0,0,0|2,1,0]=4 1054 B9R0.8 CCCCC(S)C(=O)OC Amb24745120 [0,1,0,0,0,0|2,0,0]=3 1055 B9R0.8 CCCCN(C(=O)CO)C Amb17334237 [0,1,0,0,0,0|3,0,0]=4 1056 B9R0.8 CCCCN(C)C(=O)OC Amb24721186 [0,1,0,0,0,0|3,0,0]=4 1057 B9R0.8 CCCCN(N)C(=O)NC Amb24400861 [0,1,0,0,0,0|3,0,0]=4 1058 B9R0.8 CCCC[C@@H](Br)C(=O)NC Amb25678518 [0,1,0,0,0,0|3,0,0]=4 1059 B9R0.8 CCCC[C@@H](Br)C(=O)OC Amb25119304 [0,1,0,0,0,0|2,0,0]=3 1060 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb22745342 [0,1,0,0,0,0|1,0,0]=2 1061 B9R0.8 CCCC[C@@H](O)C(=C)CO Amb25687846 [0,1,0,0,0,0|3,0,0]=4 1062 B9R0.8 CCCC[C@@H](O)C(=O)OC Amb24430118 [0,1,0,0,0,0|2,0,0]=3 1063 B9R0.8 CCCC[C@H](Br)C(=O)NC Amb25755947 [0,1,0,0,0,0|3,0,0]=4 1064 B9R0.8 CCCC[C@H](C(=O)OC)N Amb16183949 [0,1,0,0,0,0|1,0,0]=2 1065 B9R0.8 CCCC[C@H](N)C(=O)CCl Amb25322512 [0,1,0,0,0,0|2,0,0]=3 1066 B9R0.8 CCCC[C@H](N)C(=O)OC Amb22169631 [0,1,0,0,0,0|1,0,0]=2 1067 B9R0.8 CCCC[C@H](O)C(=C)CO Amb24642396 [0,1,0,0,0,0|3,0,0]=4 1068 B9R0.8 CCCC[C@H](O)C(=O)CO Amb24524634 [0,1,0,0,0,0|2,0,0]=3 1069 B9R0.8 CCCNC(C)C(=O)OC Amb25350065 [0,1,0,0,0,0|3,0,0]=4 1070 B9R0.8 CCCSC(C)C(=O)OC Amb18798146 [0,1,0,0,0,0|3,0,0]=4 1071 B9R0.8 CCC\C=C(\N)/C(=O)OC Amb25361927 [0,1,0,0,0,0|1,0,2]=4 1072 B9R0.8 CCNCC(Br)C(=O)OC Amb25698350 [0,1,0,0,0,0|3,0,0]=4 1073 B9R0.8 CCNCC(Cl)C(=O)OC Amb24524439 [0,1,0,0,0,0|3,0,0]=4 1074 B9R0.8 CCNCC(N)C(=O)OC Amb24354468 [0,1,0,0,0,0|2,0,0]=3 1075 B9R0.8 CCNCC(O)C(=O)OC Amb25326837 [0,1,0,0,0,0|3,0,0]=4 1076 B9R0.8 CCSCC(N)C(=O)OC Amb18788226 [0,1,0,0,0,0|2,0,0]=3 1077 B9R0.8 CCSC[C@@H](N)C(=O)OC Amb25326708 [0,1,0,0,0,0|2,0,0]=3 1078 B9R0.8 CCSC[C@H](N)C(=O)OC Amb24726239 [0,1,0,0,0,0|2,0,0]=3 1079 B9R0.8 CNC(=O)C(=O)CCSC Amb24523022 [0,1,0,0,0,0|2,0,1]=4 1080 B9R0.8 CNC(=O)C(Cl)CCSC Amb18187051 [0,1,0,0,0,0|2,0,0]=3 1081 B9R0.8 CNC(=O)C(N)CCC=C Amb25708722 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.8 CNC(=O)C(N)CCCN Amb24374793 [0,1,0,0,0,0|3,0,0]=4 1083 B9R0.8 CNC(=O)C(N)CCOC Amb18311406 [0,1,0,0,0,0|1,1,0]=3 1084 B9R0.8 CNC(=O)C(N)CCSC Amb23443538 [0,1,0,0,0,0|1,0,0]=2 1085 B9R0.8 CNC(=O)C(O)CCSC Amb24473701 [0,1,0,0,0,0|2,0,0]=3 1086 B9R0.8 CNC(=O)[C@@H](N)CCCN Amb24615613 [0,1,0,0,0,0|3,0,0]=4 1087 B9R0.8 CNC(=S)C(N)CCSC Amb25799332 [0,1,0,0,0,0|1,1,0]=3 1088 B9R0.8 CNCCN(C)C(=O)OC Amb25853559 [0,1,0,0,0,0|3,0,0]=4 1089 B9R0.8 COC(=O)C(C)CCC#N Amb18643706 [0,1,0,0,0,0|3,0,0]=4 1090 B9R0.8 COC(=O)C(C)CCC=O Amb18644132 [0,1,0,0,0,0|3,0,0]=4 1091 B9R0.8 COC(=O)C(C)CCCBr Amb25249687 [0,1,0,0,0,0|3,0,0]=4 1092 B9R0.8 COC(=O)C(C)CCCO Amb24413656 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.8 COC(=O)C(C)CNOC Amb25830497 [0,1,0,0,0,0|2,1,0]=4 1094 B9R0.8 COC(=O)C(CCCBr)Br Amb10071878 [0,1,0,0,0,0|3,0,0]=4 1095 B9R0.8 COC(=O)C(Cl)CCCCl Amb24711462 [0,1,0,0,0,0|3,0,0]=4 1096 B9R0.8 COC(=O)C(Cl)CCSC Amb18327893 [0,1,0,0,0,0|1,0,0]=2 1097 B9R0.8 COC(=O)C(F)CCCN Amb24558737 [0,1,0,0,0,0|3,0,0]=4 1098 B9R0.8 COC(=O)C(N)CC=C=O Amb25123214 [0,1,0,0,0,0|2,0,1]=4 1099 B9R0.8 COC(=O)C(N)CCCO Amb18644325 [0,1,0,0,0,0|2,0,0]=3 1100 B9R0.8 COC(=O)C(N)CSN=O Amb25780529 [0,1,0,0,0,0|3,0,0]=4 1101 B9R0.8 COC(=O)C(N)C\C=C\Cl Amb25119357 [0,1,0,0,0,0|2,0,1]=4 1102 B9R0.8 COC(=O)C(O)CCC=O Amb25078499 [0,1,0,0,0,0|3,0,0]=4 1103 B9R0.8 COC(=O)C(O)CCCBr Amb24759864 [0,1,0,0,0,0|3,0,0]=4 1104 B9R0.8 COC(=O)C(O)CCCCl Amb24480606 [0,1,0,0,0,0|3,0,0]=4 1105 B9R0.8 COC(=O)C(O)CCCO Amb24404795 [0,1,0,0,0,0|3,0,0]=4 1106 B9R0.8 COC(=O)C(O)CCSC Amb18800831 [0,1,0,0,0,0|1,0,0]=2 1107 B9R0.8 COC(=O)C(O)CNOC Amb24453528 [0,1,0,0,0,0|2,1,0]=4 1108 B9R0.8 COC(=O)N(C)CCSC Amb25205283 [0,1,0,0,0,0|2,0,0]=3 1109 B9R0.8 COC(=O)[C@@H](C)CCCBr Amb24477377 [0,1,0,0,0,0|3,0,0]=4 1110 B9R0.8 COC(=O)[C@@H](C)NCOC Amb25333636 [0,1,0,0,0,0|2,1,0]=4 1111 B9R0.8 COC(=O)[C@@H](N)CCC#N Amb24479018 [0,1,0,0,0,0|2,0,0]=3 1112 B9R0.8 COC(=O)[C@@H](N)CN=[N+]=[N-] Amb24541778 [0,1,0,0,0,0|3,0,0]=4 1113 B9R0.8 COC(=O)[C@@H](N)CNC=O Amb24409940 [0,1,0,0,0,0|3,0,0]=4 1114 B9R0.8 COC(=O)[C@@H](N)CSN=O Amb24482178 [0,1,0,0,0,0|3,0,0]=4 1115 B9R0.8 COC(=O)[C@H](C)NCOC Amb24721830 [0,1,0,0,0,0|2,1,0]=4 1116 B9R0.8 COC(=O)[C@H](C)OCCC Amb25713201 [0,1,0,0,0,0|3,0,0]=4 1117 B9R0.8 COC(=O)[C@H](CCCN)N Amb16183971 [0,1,0,0,0,0|2,0,0]=3 1118 B9R0.8 COC(=O)[C@H](N)CCC#C Amb25367248 [0,1,0,0,0,0|1,0,1]=3 1119 B9R0.8 COC(=O)[C@H](N)CCCN Amb25823371 [0,1,0,0,0,0|2,0,0]=3 1120 B9R0.8 COC(=O)[C@H](N)COCC Amb24478281 [0,1,0,0,0,0|2,0,0]=3 1121 B9R0.8 COC(=O)[C@H](O)CCC=C Amb25749046 [0,1,0,0,0,0|2,0,1]=4 1122 B9R0.8 COCCC(C)C(=O)C#C Amb25294515 [0,1,0,0,0,0|2,1,0]=4 1123 B9R0.8 COCCC(C)C(=O)C=C Amb24622975 [0,1,0,0,0,0|2,1,0]=4 1124 B9R0.8 COCCC(C)C(=O)CN Amb25791410 [0,1,0,0,0,0|2,1,0]=4 1125 B9R0.8 COCCC(C)C(=O)NN Amb24542156 [0,1,0,0,0,0|2,1,0]=4 1126 B9R0.8 COCCC(C)C(N)=NO Amb25281522 [0,1,0,0,0,0|2,1,0]=4 1127 B9R0.8 COCCC(N)C(=O)NN Amb25117326 [0,1,0,0,0,0|1,1,0]=3 1128 B9R0.8 COCCC(N)C(=O)NO Amb25146432 [0,1,0,0,0,0|0,1,0]=2 1129 B9R0.8 COCCC(N)C(=O)OC Amb24053179 [0,1,0,0,0,0|0,1,0]=2 1130 B9R0.8 COCCN(C)C(=O)CO Amb24509401 [0,1,0,0,0,0|2,1,0]=4 1131 B9R0.8 COCCN(C)C(=O)OC Amb25847680 [0,1,0,0,0,0|2,1,0]=4 1132 B9R0.8 CSCCC(C(=O)OC)N Amb1152979 [0,1,0,0,0,0|0,0,0]=1 1133 B9R0.8 CSCCC(N)C(=O)NO Amb22349956 [0,1,0,0,0,0|0,0,0]=1 1134 B9R0.8 CSCCC(N)C(=O)SC Amb24650905 [0,1,0,0,0,0|0,1,0]=2 1135 B9R0.8 CSCCC(O)C(=O)CO Amb24706883 [0,1,0,0,0,0|1,0,0]=2 1136 B9R0.8 CSCCC(O)C(N)CO Amb25839854 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.8 CSCCN(C)C(=O)CBr Amb24479467 [0,1,0,0,0,0|3,0,0]=4 1138 B9R0.8 CSCCN(C)C(=O)CCl Amb25087935 [0,1,0,0,0,0|3,0,0]=4 1139 B9R0.8 CSCCN(C)C(=O)CN Amb24407403 [0,1,0,0,0,0|3,0,0]=4 1140 B9R0.8 CSCCN(C)C(=O)CS Amb25129543 [0,1,0,0,0,0|2,1,0]=4 1141 B9R0.8 CSCCN(C)C(=O)NN Amb24479496 [0,1,0,0,0,0|3,0,0]=4 1142 B9R0.8 CSCC[C@@H](C(=O)NC)N Amb17232422 [0,1,0,0,0,0|1,0,0]=2 1143 B9R0.8 CSCC[C@@H](O)C(=O)CO Amb25059562 [0,1,0,0,0,0|1,0,0]=2 1144 B9R0.8 CSCC[C@H](N)C(=O)O[Zn+] Amb20241025 [0,1,0,0,0,0|0,0,0]=1 1145 B9R0.8 CSCC[C@H](O)C(=O)CO Amb25146839 [0,1,0,0,0,0|1,0,0]=2 1146 B9R0.8 CSC\C=C(/F)\C(=O)CO Amb25059504 [0,1,0,0,0,0|1,0,2]=4 1147 B9R0.8 CSC\C=C(\F)/C(=O)CO Amb25718287 [0,1,0,0,0,0|1,0,2]=4 1148 B9R0.8 NCCCC(O)C(=O)NO Amb24605796 [0,1,0,0,0,0|3,0,0]=4 1149 B9R0.8 NCCC[C@@H](C(=O)OC)N Amb16236222 [0,1,0,0,0,0|2,0,0]=3 1150 B9R0.8 OCCCC(O)C(=O)CO Amb24685446 [0,1,0,0,0,0|3,0,0]=4 1151 B9R0.8 OCCC[C@H](O)C(=O)CO Amb25687237 [0,1,0,0,0,0|3,0,0]=4 1152 B9R0.13 C#CCNC(CN)C(O)=O Amb25770370 [0,1,0,0,0,0|2,0,1]=4 1153 B9R0.13 C=CCC[C@@H](C=C)C(O)=O Amb24615240 [0,1,0,0,0,0|2,0,1]=4 1154 B9R0.13 C=CCC[C@H](C=C)C(O)=O Amb24601426 [0,1,0,0,0,0|2,0,1]=4 1155 B9R0.13 C=CCNC(CN)C(O)=O Amb24482116 [0,1,0,0,0,0|2,0,1]=4 1156 B9R0.13 C=CCSC(CN)C(O)=O Amb24753370 [0,1,0,0,0,0|2,0,1]=4 1157 B9R0.13 CC(C)C(CCSC)NC Amb24385768 [0,1,0,0,0,0|2,0,1]=4 1158 B9R0.13 CC(C)C(CCSC)NN Amb25330383 [0,1,0,0,0,0|2,0,1]=4 1159 B9R0.13 CC(C)C(CN)CCSC Amb24509143 [0,1,0,0,0,0|2,0,1]=4 1160 B9R0.13 CC(O)C(CCNC)NC Amb24740435 [0,1,0,0,0,0|2,0,1]=4 1161 B9R0.13 CC(O)C(CCSC)CC Amb25210280 [0,1,0,0,0,0|2,0,1]=4 1162 B9R0.13 CCC(CCCBr)C(O)=O Amb18131058 [0,1,0,0,0,0|3,0,0]=4 1163 B9R0.13 CCC(CCCCl)C(O)=O Amb24480523 [0,1,0,0,0,0|3,0,0]=4 1164 B9R0.13 CCC(CCCF)C(O)=O Amb25104466 [0,1,0,0,0,0|3,0,0]=4 1165 B9R0.13 CCC(CCCN)C(O)=O Amb25703115 [0,1,0,0,0,0|3,0,0]=4 1166 B9R0.13 CCC(CCOC)C(O)=O Amb25289946 [0,1,0,0,0,0|1,1,0]=3 1167 B9R0.13 CCC(CCSC)C(C)=O Amb24536181 [0,1,0,0,0,0|2,0,0]=3 1168 B9R0.13 CCC(CCSC)C(O)=O Amb24373794 [0,1,0,0,0,0|1,0,0]=2 1169 B9R0.13 CCC(CSCC)C(O)=O Amb24482439 [0,1,0,0,0,0|3,0,0]=4 1170 B9R0.13 CCCCC(=CBr)C(O)=O Amb25025162 [0,1,0,0,0,0|2,0,1]=4 1171 B9R0.13 CCCCC(C#C)C(O)=O Amb25122141 [0,1,0,0,0,0|2,0,0]=3 1172 B9R0.13 CCCCC(C#N)C(C)=O Amb24647883 [0,1,0,0,0,0|2,0,1]=4 1173 B9R0.13 CCCCC(C(=O)[O-])CC Amb10807417 [0,1,0,0,0,0|2,0,1]=4 1174 B9R0.13 CCCCC(C=C)C(C)=O Amb24353218 [0,1,0,0,0,0|3,0,0]=4 1175 B9R0.13 CCCCC(C=O)C(C)=O Amb25293767 [0,1,0,0,0,0|3,0,0]=4 1176 B9R0.13 CCCCC(C=O)C(O)=O Amb25132913 [0,1,0,0,0,0|2,0,0]=3 1177 B9R0.13 CCCCC(CC)C(C)=O Amb25049588 [0,1,0,0,0,0|3,0,0]=4 1178 B9R0.13 CCCCC(CC)C(O)=O Amb22232366 [0,1,0,0,0,0|2,0,0]=3 1179 B9R0.13 CCCCC(CC)C(O)=O Amb22334224 [0,1,0,0,0,0|2,0,0]=3 1180 B9R0.13 CCCCC(CC)C(O)=O Amb22337839 [0,1,0,0,0,0|2,0,0]=3 1181 B9R0.13 CCCCC(CC)C(O)=O Amb22351159 [0,1,0,0,0,0|2,0,0]=3 1182 B9R0.13 CCCCC(CC)C(O)=O Amb22351729 [0,1,0,0,0,0|2,0,0]=3 1183 B9R0.13 CCCCC(CC)C(O)=O Amb22351933 [0,1,0,0,0,0|2,0,0]=3 1184 B9R0.13 CCCCC(CC)C(O)=O Amb22363218 [0,1,0,0,0,0|2,0,0]=3 1185 B9R0.13 CCCCC(CC)C([O-])=O Amb22043361 [0,1,0,0,0,0|2,0,1]=4 1186 B9R0.13 CCCCC(CC)C([O-])=O Amb22045502 [0,1,0,0,0,0|2,0,1]=4 1187 B9R0.13 CCCCC(CC)C([O-])=O Amb22045517 [0,1,0,0,0,0|2,0,1]=4 1188 B9R0.13 CCCCC(CC)C([O-])=O Amb22045537 [0,1,0,0,0,0|2,0,1]=4 1189 B9R0.13 CCCCC(CC)C([O-])=O Amb22045545 [0,1,0,0,0,0|2,0,1]=4 1190 B9R0.13 CCCCC(CC)C([O-])=O Amb22045678 [0,1,0,0,0,0|2,0,1]=4 1191 B9R0.13 CCCCC(CC)C([O-])=O Amb22045702 [0,1,0,0,0,0|2,0,1]=4 1192 B9R0.13 CCCCC(CC)C([O-])=O Amb22045706 [0,1,0,0,0,0|2,0,1]=4 1193 B9R0.13 CCCCC(CC)C([O-])=O Amb22045755 [0,1,0,0,0,0|2,0,1]=4 1194 B9R0.13 CCCCC(CC)C([O-])=O Amb22045778 [0,1,0,0,0,0|2,0,1]=4 1195 B9R0.13 CCCCC(CC)C([O-])=O Amb22045868 [0,1,0,0,0,0|2,0,1]=4 1196 B9R0.13 CCCCC(CC)C([O-])=O Amb22052434 [0,1,0,0,0,0|2,0,1]=4 1197 B9R0.13 CCCCC(CC)C([O-])=O Amb22053628 [0,1,0,0,0,0|2,0,1]=4 1198 B9R0.13 CCCCC(CC)C([O-])=O Amb22053638 [0,1,0,0,0,0|2,0,1]=4 1199 B9R0.13 CCCCC(CC)C([O-])=O Amb22053677 [0,1,0,0,0,0|2,0,1]=4 1200 B9R0.13 CCCCC(CC)C([O-])=O Amb22053733 [0,1,0,0,0,0|2,0,1]=4 1201 B9R0.13 CCCCC(CC)C([O-])=O Amb22053863 [0,1,0,0,0,0|2,0,1]=4 1202 B9R0.13 CCCCC(CC)C([O-])=O Amb22054110 [0,1,0,0,0,0|2,0,1]=4 1203 B9R0.13 CCCCC(CC)C([O-])=O Amb22054112 [0,1,0,0,0,0|2,0,1]=4 1204 B9R0.13 CCCCC(CC)C([O-])=O Amb22054129 [0,1,0,0,0,0|2,0,1]=4 1205 B9R0.13 CCCCC(CC)C([O-])=O Amb22054137 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.13 CCCCC(CC)C([O-])=O Amb22054141 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.13 CCCCC(CC)C([O-])=O Amb22055551 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.13 CCCCC(CC)C([O-])=O Amb22234920 [0,1,0,0,0,0|2,0,1]=4 1209 B9R0.13 CCCCC(CC)C([O-])=O Amb22338477 [0,1,0,0,0,0|2,0,1]=4 1210 B9R0.13 CCCCC(CC)C([O-])=O Amb22730062 [0,1,0,0,0,0|2,0,1]=4 1211 B9R0.13 CCCCC(CC)C([O-])=O Amb22730373 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.13 CCCCC(CC)C([O-])=O Amb22730960 [0,1,0,0,0,0|2,0,1]=4 1213 B9R0.13 CCCCC(CC)C([O-])=O Amb22732748 [0,1,0,0,0,0|2,0,1]=4 1214 B9R0.13 CCCCC(CC)C([O-])=O Amb22732981 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.13 CCCCC(CO)C(C)=O Amb22234725 [0,1,0,0,0,0|3,0,0]=4 1216 B9R0.13 CCCCC(NC)C(N)=O Amb24116641 [0,1,0,0,0,0|2,0,0]=3 1217 B9R0.13 CCCCC(NC)C(O)=O Amb24116642 [0,1,0,0,0,0|1,0,0]=2 1218 B9R0.13 CCCCC(NN)C(O)=O Amb18644274 [0,1,0,0,0,0|1,0,0]=2 1219 B9R0.13 CCCCC(ON)C(O)=O Amb25140283 [0,1,0,0,0,0|1,0,0]=2 1220 B9R0.13 CCCCC(SC)C(N)=O Amb25801007 [0,1,0,0,0,0|3,0,0]=4 1221 B9R0.13 CCCCC(SC)C(O)=O Amb24478447 [0,1,0,0,0,0|2,0,0]=3 1222 B9R0.13 CCCC[C@@H](C(=O)O)CO Amb16232529 [0,1,0,0,0,0|2,0,0]=3 1223 B9R0.13 CCCC[C@@H](CC)C(N)=O Amb24600233 [0,1,0,0,0,0|3,0,0]=4 1224 B9R0.13 CCCC[C@@H](CO)C(O)=O Amb22745320 [0,1,0,0,0,0|2,0,0]=3 1225 B9R0.13 CCCC[C@@H](NC)C(O)=O Amb22799980 [0,1,0,0,0,0|1,0,0]=2 1226 B9R0.13 CCCC[C@@H](NN)C(O)=O Amb25076236 [0,1,0,0,0,0|1,0,0]=2 1227 B9R0.13 CCCC[C@H](CC)C(C)=O Amb24478140 [0,1,0,0,0,0|3,0,0]=4 1228 B9R0.13 CCCC[C@H](CC)C(O)=O Amb24671282 [0,1,0,0,0,0|2,0,0]=3 1229 B9R0.13 CCCC[C@H](CN)C(O)=O Amb25307811 [0,1,0,0,0,0|1,0,0]=2 1230 B9R0.13 CCCC[C@H](NCl)C(O)=O Amb24482437 [0,1,0,0,0,0|1,0,0]=2 1231 B9R0.13 CCCC\C(=C/Br)\C(O)=O Amb24757714 [0,1,0,0,0,0|2,0,1]=4 1232 B9R0.13 CCCNC(CO)C(O)=O Amb18637569 [0,1,0,0,0,0|3,0,0]=4 1233 B9R0.13 CCCN[C@@H](CO)C(O)=O Amb24351588 [0,1,0,0,0,0|3,0,0]=4 1234 B9R0.13 CCCOC(CN)C(O)=O Amb25827128 [0,1,0,0,0,0|2,0,0]=3 1235 B9R0.13 CCONC(CN)C(O)=O Amb24481161 [0,1,0,0,0,0|3,0,0]=4 1236 B9R0.13 CCSCC(NC)C(N)=O Amb18788145 [0,1,0,0,0,0|3,0,0]=4 1237 B9R0.13 CCSCC(NC)C(O)=O Amb18788225 [0,1,0,0,0,0|2,0,0]=3 1238 B9R0.13 CNC(CCCN)C(O)=O Amb18644280 [0,1,0,0,0,0|2,0,0]=3 1239 B9R0.13 CNC(CCOC)C(N)=O Amb24476849 [0,1,0,0,0,0|1,1,0]=3 1240 B9R0.13 CNC(CCOC)C(O)=O Amb24405197 [0,1,0,0,0,0|0,1,0]=2 1241 B9R0.13 CNC(CCSC)C(C)=C Amb24744692 [0,1,0,0,0,0|2,0,0]=3 1242 B9R0.13 CNC(CCSC)C(N)=O Amb18792442 [0,1,0,0,0,0|1,0,0]=2 1243 B9R0.13 CNC(CCSC)C(O)=O Amb18792506 [0,1,0,0,0,0|0,0,0]=1 1244 B9R0.13 CN[C@@H](CCCN)C(O)=O Amb24584680 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.13 COC(CCSC)C(C)=O Amb25172858 [0,1,0,0,0,0|2,0,0]=3 1246 B9R0.13 COCCC(CN)C(O)=O Amb24697893 [0,1,0,0,0,0|0,1,0]=2 1247 B9R0.13 COCCC(OC)C(C)=O Amb25146751 [0,1,0,0,0,0|2,1,0]=4 1248 B9R0.13 COCOC(C=C)C(O)=O Amb24480745 [0,1,0,0,0,0|2,1,0]=4 1249 B9R0.13 CSC(CCNO)C(O)=O Amb24390302 [0,1,0,0,0,0|3,0,0]=4 1250 B9R0.13 CSCCC(=NO)C(O)=O Amb24425557 [0,1,0,0,0,0|0,0,2]=3 1251 B9R0.13 CSCCC(CN)C(O)=O Amb24618199 [0,1,0,0,0,0|0,0,0]=1 1252 B9R0.13 CSCCC(N(C)C)CN Amb2371882 [0,1,0,0,0,0|3,0,0]=4 1253 B9R0.13 CSCCC(NO)C(N)=O Amb25240562 [0,1,0,0,0,0|1,0,0]=2 1254 B9R0.13 CSCCC(SC)C(O)=O Amb25111182 [0,1,0,0,0,0|1,0,0]=2 1255 B9R0.13 CSCC[C@H](NO)C(O)=O Amb25306086 [0,1,0,0,0,0|0,0,0]=1 1256 B9R0.13 C[C@@H](O)[C@@H](CCNC)NC Amb25112019 [0,1,0,0,0,0|2,0,1]=4 1257 B9R0.13 C\C=C\CC(CC)C(O)=O Amb18643880 [0,1,0,0,0,0|2,0,1]=4 1258 B9R0.13 C\C=C\CC(OC)C(O)=O Amb18644117 [0,1,0,0,0,0|2,0,1]=4 1259 B9R0.13 C\C=C\C[C@@H](CC)C(O)=O Amb24745679 [0,1,0,0,0,0|2,0,1]=4 1260 B9R0.13 C\C=C\C[C@H](CC)C(O)=O Amb24745678 [0,1,0,0,0,0|2,0,1]=4 1261 B9R0.13 NCCCC(C#N)C(O)=O Amb25147461 [0,1,0,0,0,0|2,0,1]=4 1262 B9R0.13 NCCCC(CN)C(O)=O Amb25072736 [0,1,0,0,0,0|2,0,0]=3 1263 B9R0.13 NCCCC(NCl)C(O)=O Amb24373822 [0,1,0,0,0,0|2,0,0]=3 1264 B9R0.13 NCCCC(NN)C(O)=O Amb18644331 [0,1,0,0,0,0|2,0,0]=3 1265 B9R0.13 NCCCC(NN)C(O)=O Amb22229924 [0,1,0,0,0,0|2,0,0]=3 1266 B9R0.13 NCCC[C@@H](NN)C(O)=O Amb22801170 [0,1,0,0,0,0|2,0,0]=3 1267 B9R0.42 C=C(CC(N)C(O)=O)C=C Amb25698333 [0,1,0,0,0,0|1,0,2]=4 1268 B9R0.42 CC(=O)C(N)CC(=O)OC Amb24529258 [0,1,0,0,0,0|1,1,1]=4 1269 B9R0.42 CC(CC(Br)C(O)=O)CN Amb24478240 [0,1,0,0,0,0|3,0,0]=4 1270 B9R0.42 CC(CC(C)C#N)C(O)=O Amb25694006 [0,1,0,0,0,0|3,0,0]=4 1271 B9R0.42 CC(CC(C)C=C)C(O)=O Amb18643935 [0,1,0,0,0,0|2,0,1]=4 1272 B9R0.42 CC(CC(C)C=O)C(O)=O Amb18644134 [0,1,0,0,0,0|3,0,0]=4 1273 B9R0.42 CC(CC(F)C(O)=O)CN Amb25265347 [0,1,0,0,0,0|3,0,0]=4 1274 B9R0.42 CC(CC(F)C(O)=O)OC Amb25298262 [0,1,0,0,0,0|1,1,0]=3 1275 B9R0.42 CC(CC(N)C(C)=C)OC Amb25851059 [0,1,0,0,0,0|2,1,0]=4 1276 B9R0.42 CC(CC(N)C(C)=O)CC Amb25747386 [0,1,0,0,0,0|2,0,0]=3 1277 B9R0.42 CC(CC(N)C(N)=O)OC Amb25349298 [0,1,0,0,0,0|1,1,0]=3 1278 B9R0.42 CC(CC(N)C(O)=O)=C=C Amb24409576 [0,1,0,0,0,0|1,0,2]=4 1279 B9R0.42 CC(CC(N)C(O)=O)C#C Amb25067277 [0,1,0,0,0,0|1,0,1]=3 1280 B9R0.42 CC(CC(N)C(O)=O)C#N Amb25262927 [0,1,0,0,0,0|2,0,0]=3 1281 B9R0.42 CC(CC(N)C(O)=O)C=C Amb25778211 [0,1,0,0,0,0|1,0,1]=3 1282 B9R0.42 CC(CC(N)C(O)=O)CC Amb18313985 [0,1,0,0,0,0|1,0,0]=2 1283 B9R0.42 CC(CC(N)C(O)=O)CC Amb20667726 [0,1,0,0,0,0|1,0,0]=2 1284 B9R0.42 CC(CC(N)C(O)=O)CCl Amb24480574 [0,1,0,0,0,0|2,0,0]=3 1285 B9R0.42 CC(CC(N)C(O)=O)CO Amb25147300 [0,1,0,0,0,0|2,0,0]=3 1286 B9R0.42 CC(CC(N)C(O)=O)NC Amb24711878 [0,1,0,0,0,0|1,0,0]=2 1287 B9R0.42 CC(CC(N)C(O)=O)OC Amb25147752 [0,1,0,0,0,0|0,1,0]=2 1288 B9R0.42 CC(CC(N)C(O)=O)SC Amb24365891 [0,1,0,0,0,0|0,0,0]=1 1289 B9R0.42 CC(CC(O)C(O)=O)CC Amb25849308 [0,1,0,0,0,0|2,0,0]=3 1290 B9R0.42 CC(CC(O)CN)C(O)=O Amb25375725 [0,1,0,0,0,0|3,0,0]=4 1291 B9R0.42 CC(CC(S)C(O)=O)CC Amb18798152 [0,1,0,0,0,0|2,0,0]=3 1292 B9R0.42 CC(CC(S)C(O)=O)OC Amb24641528 [0,1,0,0,0,0|1,1,0]=3 1293 B9R0.42 CC(CC)OC(F)C(O)=O Amb25043871 [0,1,0,0,0,0|3,0,0]=4 1294 B9R0.42 CC(CN)CC(C)C(O)=O Amb24717285 [0,1,0,0,0,0|3,0,0]=4 1295 B9R0.42 CC(C[C@@H](N)C(O)=O)CC Amb25127143 [0,1,0,0,0,0|1,0,0]=2 1296 B9R0.42 CC(C[C@@H](N)C(O)=O)OC Amb24412403 [0,1,0,0,0,0|0,1,0]=2 1297 B9R0.42 CC(C[C@@H](N)C(O)=O)SC Amb24692660 [0,1,0,0,0,0|0,0,0]=1 1298 B9R0.42 CC(C[C@H](N)C(O)=O)C#C Amb25214668 [0,1,0,0,0,0|1,0,1]=3 1299 B9R0.42 CC(C[C@H](N)C(O)=O)CCl Amb24479195 [0,1,0,0,0,0|2,0,0]=3 1300 B9R0.42 CCC(=C)CC(C)C(O)=O Amb25342029 [0,1,0,0,0,0|2,0,1]=4 1301 B9R0.42 CCC(=C)CC(N)C(N)=O Amb24429018 [0,1,0,0,0,0|2,0,1]=4 1302 B9R0.42 CCC(=C)CC(O)C(O)=O Amb25200851 [0,1,0,0,0,0|2,0,1]=4 1303 B9R0.42 CCC(=C)C[C@H](C)C(O)=O Amb24384990 [0,1,0,0,0,0|2,0,1]=4 1304 B9R0.42 CCC(=C)C[C@H](N)C(O)=O Amb25694434 [0,1,0,0,0,0|1,0,1]=3 1305 B9R0.42 CCC(=O)CC(N)C(N)=O Amb25129863 [0,1,0,0,0,0|2,0,1]=4 1306 B9R0.42 CCC(=O)CC(N)C(O)=O Amb22546324 [0,1,0,0,0,0|1,0,1]=3 1307 B9R0.42 CCC(=O)CC(N)C(O)=O Amb24479073 [0,1,0,0,0,0|1,0,1]=3 1308 B9R0.42 CCC(=O)C[C@@H](C)C(O)=O Amb24680887 [0,1,0,0,0,0|2,0,1]=4 1309 B9R0.42 CCC(=O)C[C@H](N)C(O)=O Amb24479266 [0,1,0,0,0,0|1,0,1]=3 1310 B9R0.42 CCC(C)CC(C)C(C)=O Amb25056188 [0,1,0,0,0,0|3,0,0]=4 1311 B9R0.42 CCC(C)CC(C)C(O)=O Amb22228338 [0,1,0,0,0,0|2,0,0]=3 1312 B9R0.42 CCC(C)N[C@@H](C)C(O)=O Amb25691180 [0,1,0,0,0,0|3,0,0]=4 1313 B9R0.42 CCC(C)N[C@H](C)C(O)=O Amb24375136 [0,1,0,0,0,0|3,0,0]=4 1314 B9R0.42 CCC(C)OC(C)C(O)=O Amb25357779 [0,1,0,0,0,0|3,0,0]=4 1315 B9R0.42 CCC(Cl)CC(N)C(O)=O Amb24374416 [0,1,0,0,0,0|1,0,0]=2 1316 B9R0.42 CCC(O)CC(N)C(O)=O Amb24117068 [0,1,0,0,0,0|1,0,0]=2 1317 B9R0.42 CCC(O)C[C@H](N)C(O)=O Amb24759913 [0,1,0,0,0,0|1,0,0]=2 1318 B9R0.42 CCN(C)CC(Cl)C(O)=O Amb25713950 [0,1,0,0,0,0|3,0,0]=4 1319 B9R0.42 CCN(C)CC(O)C(O)=O Amb25367420 [0,1,0,0,0,0|3,0,0]=4 1320 B9R0.42 CCN(O)CC(O)C(O)=O Amb24699297 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.42 CCS(=N)CC(N)C(O)=O Amb25046702 [0,1,0,0,0,0|2,0,0]=3 1322 B9R0.42 CCS(=N)C[C@H](N)C(O)=O Amb24502175 [0,1,0,0,0,0|2,0,0]=3 1323 B9R0.42 CCS(=O)CC(C)C(O)=O Amb19012076 [0,1,0,0,0,0|3,0,0]=4 1324 B9R0.42 CC[C@@H](C)C[C@H](C)C(O)=O Amb24426532 [0,1,0,0,0,0|2,0,0]=3 1325 B9R0.42 CC[C@@H](F)C[C@H](N)C(O)=O Amb25147291 [0,1,0,0,0,0|1,0,0]=2 1326 B9R0.42 CC[C@H](C)CC(=C)C(O)=O Amb25367282 [0,1,0,0,0,0|2,0,1]=4 1327 B9R0.42 CC[C@H](C)CC(C)C(C)=O Amb25821401 [0,1,0,0,0,0|3,0,0]=4 1328 B9R0.42 CC[C@H](C)C[C@@H](C)C(O)=O Amb24480420 [0,1,0,0,0,0|2,0,0]=3 1329 B9R0.42 CNC(=O)CC(N)C(N)=O Amb25284709 [0,1,0,0,0,0|2,0,1]=4 1330 B9R0.42 CNC(=O)C[C@@H](N)C(O)=O Amb20240891 [0,1,0,0,0,0|1,0,1]=3 1331 B9R0.42 CNC(=O)C[C@H](N)C(O)=O Amb20242140 [0,1,0,0,0,0|1,0,1]=3 1332 B9R0.42 CNC(C)CC(C)C(O)=O Amb25291515 [0,1,0,0,0,0|2,0,0]=3 1333 B9R0.42 COC(=O)CC(Br)C(O)=O Amb18656998 [0,1,0,0,0,0|1,1,1]=4 1334 B9R0.42 COC(=O)CC(C)C(O)=O Amb18644239 [0,1,0,0,0,0|1,1,1]=4 1335 B9R0.42 COC(=O)CC(N)C(O)=O Amb22489498 [0,1,0,0,0,0|0,1,1]=3 1336 B9R0.42 COC(=O)CC(O)C(O)=O Amb25786182 [0,1,0,0,0,0|1,1,1]=4 1337 B9R0.42 COC(=O)C[C@@H](C(=O)O)N Amb13884879 [0,1,0,0,0,0|0,1,1]=3 1338 B9R0.42 COC(=O)C[C@@H](N)C(O)=O Amb22745861 [0,1,0,0,0,0|0,1,1]=3 1339 B9R0.42 COC(=O)C[C@@H](O)C(O)=O Amb23603858 [0,1,0,0,0,0|1,1,1]=4 1340 B9R0.42 COC(=O)C[C@H](O)C(O)=O Amb25367304 [0,1,0,0,0,0|1,1,1]=4 1341 B9R0.42 COC(=O)C[C@H]([NH3+])C(=O)O Amb10574406 [0,1,0,0,0,0|0,1,2]=4 1342 B9R0.42 CO[C@@H](C)C[C@H](C)C(O)=O Amb24691586 [0,1,0,0,0,0|1,1,0]=3 1343 B9R0.42 CSC(=S)NC(C)C(O)=O Amb24536549 [0,1,0,0,0,0|2,0,1]=4 1344 B9R0.42 CSC(=S)N[C@H](C)C(O)=O Amb25798847 [0,1,0,0,0,0|2,0,1]=4 1345 B9R0.42 C[C@@H](C[C@@H](C)C=C)C(O)=O Amb25756960 [0,1,0,0,0,0|2,0,1]=4 1346 B9R0.42 C[C@@H](C[C@@H](N)C(O)=O)CC Amb25844637 [0,1,0,0,0,0|1,0,0]=2 1347 B9R0.42 C[C@@H](C[C@H](C)C=C)C(O)=O Amb25757917 [0,1,0,0,0,0|2,0,1]=4 1348 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)C=C Amb25727679 [0,1,0,0,0,0|1,0,1]=3 1349 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)CC Amb24619367 [0,1,0,0,0,0|1,0,0]=2 1350 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)CF Amb25147611 [0,1,0,0,0,0|2,0,0]=3 1351 B9R0.42 C[C@@H](C[C@H](O)CN)C(O)=O Amb24447195 [0,1,0,0,0,0|3,0,0]=4 1352 B9R0.42 C[C@H](C[C@@H](N)C(O)=O)CC Amb25738618 [0,1,0,0,0,0|1,0,0]=2 1353 B9R0.42 C[C@H](C[C@H](C)C=C)C(O)=O Amb24352097 [0,1,0,0,0,0|2,0,1]=4 1354 B9R0.42 C[C@H](C[C@H](C)CO)C(O)=O Amb24480419 [0,1,0,0,0,0|3,0,0]=4 1355 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C#N Amb24529159 [0,1,0,0,0,0|2,0,0]=3 1356 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C=C Amb24561660 [0,1,0,0,0,0|1,0,1]=3 1357 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CC Amb25662528 [0,1,0,0,0,0|1,0,0]=2 1358 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CF Amb25378691 [0,1,0,0,0,0|2,0,0]=3 1359 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CO Amb25378739 [0,1,0,0,0,0|2,0,0]=3 1360 B9R0.42 C[C@H](C[C@H](N)C(O)=O)SC Amb25848560 [0,1,0,0,0,0|0,0,0]=1 1361 B9R0.42 C[C@H](C[C@H](O)C(O)=O)CC Amb24446982 [0,1,0,0,0,0|2,0,0]=3 1362 B9R0.42 C\C(\CC(N)C(O)=O)=C/C Amb24587021 [0,1,0,0,0,0|1,0,1]=3 1363 B9R0.42 C\C(\C[C@H](N)C(O)=O)=C\C Amb24746992 [0,1,0,0,0,0|1,0,1]=3 1364 B9R0.42 NC(CC(=O)CBr)C(O)=O Amb24477386 [0,1,0,0,0,0|2,0,1]=4 1365 B9R0.42 NC(CC(=O)CCl)C(O)=O Amb24061070 [0,1,0,0,0,0|2,0,1]=4 1366 B9R0.42 NC(CC(=O)CO)C(O)=O Amb18644310 [0,1,0,0,0,0|2,0,1]=4 1367 B9R0.42 NC(CC(=O)NCl)C(O)=O Amb24454054 [0,1,0,0,0,0|2,0,1]=4 1368 B9R0.42 NC(CC(=O)NO)C(O)=O Amb22349932 [0,1,0,0,0,0|2,0,1]=4 1369 B9R0.42 NC(CC(Br)=CBr)C(O)=O Amb24644290 [0,1,0,0,0,0|2,0,1]=4 1370 B9R0.42 NC(CC(F)CN)C(O)=O Amb24709973 [0,1,0,0,0,0|2,0,0]=3 1371 B9R0.42 NC(CC(O)CCl)C(O)=O Amb20179638 [0,1,0,0,0,0|2,0,0]=3 1372 B9R0.42 NC(CC(O)CO)C(O)=O Amb18644388 [0,1,0,0,0,0|2,0,0]=3 1373 B9R0.42 NC(CC(O)CO)C(O)=O Amb24117285 [0,1,0,0,0,0|2,0,0]=3 1374 B9R0.42 NCC(=O)CC(N)C(O)=O Amb24462002 [0,1,0,0,0,0|2,0,1]=4 1375 B9R0.42 NCC(=O)C[C@H](N)C(O)=O Amb25757838 [0,1,0,0,0,0|2,0,1]=4 1376 B9R0.42 NC[C@H](O)C[C@H](O)C(O)=O Amb24383534 [0,1,0,0,0,0|3,0,0]=4 1377 B9R0.42 NNC(=O)C[C@H](N)C(O)=O Amb24680907 [0,1,0,0,0,0|2,0,1]=4 1378 B9R0.42 N[C@@H](CC(=O)CBr)C(O)=O Amb24477399 [0,1,0,0,0,0|2,0,1]=4 1379 B9R0.42 N[C@@H](CC(F)CO)C(O)=O Amb24079182 [0,1,0,0,0,0|2,0,0]=3 1380 B9R0.42 N[C@@H](CC(O)CN)C(O)=O Amb24455060 [0,1,0,0,0,0|2,0,0]=3 1381 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O Amb25367252 [0,1,0,0,0,0|2,0,0]=3 1382 B9R0.42 N[C@@H](C[C@@H](O)CN)C(O)=O Amb25320209 [0,1,0,0,0,0|2,0,0]=3 1383 B9R0.42 N[C@@H](C[C@@H](O)CO)C(O)=O Amb24680903 [0,1,0,0,0,0|2,0,0]=3 1384 B9R0.42 N[C@@H](C[C@H](O)CCl)C(O)=O Amb25265266 [0,1,0,0,0,0|2,0,0]=3 1385 B9R0.42 N[C@@H](C[C@H](O)CN)C(O)=O Amb24446199 [0,1,0,0,0,0|2,0,0]=3 1386 B9R0.42 N[C@H](CC(=O)NO)C(O)=O Amb24451287 [0,1,0,0,0,0|2,0,1]=4 1387 B9R0.42 N[C@H](C[C@@H](O)CN)C(O)=O Amb24480730 [0,1,0,0,0,0|2,0,0]=3 1388 B9R0.42 N[C@H](C[C@H](O)CN)C(O)=O Amb25147418 [0,1,0,0,0,0|2,0,0]=3 1389 B9R0.42 O=NN(CC(C(=O)O)N)O Amb17607757 [0,1,0,0,0,0|3,0,0]=4 1390 B9R0.42 O=NN(C[C@@H](C(=O)O)N)O Amb17607759 [0,1,0,0,0,0|3,0,0]=4 1391 B9R0.42 O=[15N][15N](CC(C(=O)O)N)O Amb17607758 [0,1,0,0,0,0|3,0,0]=4 1392 B9R0.42 OCC(O)CC(O)C(O)=O Amb18644410 [0,1,0,0,0,0|3,0,0]=4 1393 B9R0.42 OC[C@@H](O)C[C@@H](O)C(O)=O Amb25227512 [0,1,0,0,0,0|3,0,0]=4 1394 B9R0.42 OC[C@@H](O)C[C@H](O)C(O)=O Amb25336564 [0,1,0,0,0,0|3,0,0]=4 1395 B9R0.42 OC[C@H](O)C[C@@H](O)C(O)=O Amb25774509 [0,1,0,0,0,0|3,0,0]=4 1396 B9R0.47 C#CCCCC(O)C(O)=O Amb25221599 [0,1,0,0,0,0|2,0,1]=4 1397 B9R0.47 C#CCCC[C@@H](N)C(O)=O Amb24077358 [0,1,0,0,0,0|1,0,1]=3 1398 B9R0.47 C#CCCC[C@H](N)C(O)=O Amb24088878 [0,1,0,0,0,0|1,0,1]=3 1399 B9R0.47 C#CCNCC(N)C(N)=O Amb24479662 [0,1,0,0,0,0|2,0,1]=4 1400 B9R0.47 C#CCNCC(N)C(O)=O Amb24524538 [0,1,0,0,0,0|1,0,1]=3 1401 B9R0.47 C#CCOCC(Cl)C(O)=O Amb25729496 [0,1,0,0,0,0|2,0,1]=4 1402 B9R0.47 C#CCOCC(N)C(O)=O Amb25251552 [0,1,0,0,0,0|1,0,1]=3 1403 B9R0.47 C#CCSC[C@@H](N)C(O)=O Amb18792078 [0,1,0,0,0,0|1,0,1]=3 1404 B9R0.47 C#C\C=C\CC(N)C(O)=O Amb25147384 [0,1,0,0,0,0|1,0,2]=4 1405 B9R0.47 C=C(CCCCO)C(O)=O Amb24479220 [0,1,0,0,0,0|2,0,1]=4 1406 B9R0.47 C=CCCCC(Cl)C(O)=O Amb18645742 [0,1,0,0,0,0|2,0,1]=4 1407 B9R0.47 C=CCCCC(N)C(O)=O Amb22002149 [0,1,0,0,0,0|1,0,1]=3 1408 B9R0.47 C=CCCC[C@@H](N)C(N)=O Amb25824644 [0,1,0,0,0,0|2,0,1]=4 1409 B9R0.47 C=CCCC[C@@H](N)C(O)=O Amb22831130 [0,1,0,0,0,0|1,0,1]=3 1410 B9R0.47 C=CCCC[C@@H](O)C(O)=O Amb24714998 [0,1,0,0,0,0|2,0,1]=4 1411 B9R0.47 C=CCCC[C@H](O)C(O)=O Amb24763769 [0,1,0,0,0,0|2,0,1]=4 1412 B9R0.47 C=CCCOC(F)C(O)=O Amb25683023 [0,1,0,0,0,0|2,0,1]=4 1413 B9R0.47 C=CCNCC(N)C(N)=O Amb25711533 [0,1,0,0,0,0|2,0,1]=4 1414 B9R0.47 C=CCNCC(O)C(O)=O Amb25344930 [0,1,0,0,0,0|2,0,1]=4 1415 B9R0.47 C=CCOCC(Cl)C(O)=O Amb24589021 [0,1,0,0,0,0|2,0,1]=4 1416 B9R0.47 C=CCOCC(O)C(O)=O Amb24655623 [0,1,0,0,0,0|2,0,1]=4 1417 B9R0.47 C=CCOC[C@H](N)C(O)=O Amb24713287 [0,1,0,0,0,0|1,0,1]=3 1418 B9R0.47 C=CCSCC(N)C(N)=O Amb25303041 [0,1,0,0,0,0|2,0,1]=4 1419 B9R0.47 C=CCSC[C@@H](N)C(O)=O Amb22745979 [0,1,0,0,0,0|1,0,1]=3 1420 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231426 [0,1,0,0,0,0|1,0,1]=3 1421 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231427 [0,1,0,0,0,0|1,0,1]=3 1422 B9R0.47 C=C\C=C\CC(N)C(O)=O Amb18643715 [0,1,0,0,0,0|1,0,2]=4 1423 B9R0.47 CC#CCCC(C)C(C)=O Amb25242345 [0,1,0,0,0,0|3,0,0]=4 1424 B9R0.47 CC#CCC[C@@H](N)C(N)=O Amb25789997 [0,1,0,0,0,0|2,0,0]=3 1425 B9R0.47 CC#CCC[C@@H](N)C(O)=O Amb25835847 [0,1,0,0,0,0|1,0,0]=2 1426 B9R0.47 CC#CCOC(C)C(O)=O Amb25841903 [0,1,0,0,0,0|2,0,1]=4 1427 B9R0.47 CC#CCO[C@H](C)C(O)=O Amb24716436 [0,1,0,0,0,0|2,0,1]=4 1428 B9R0.47 CC#CCSC(C)C(O)=O Amb18797355 [0,1,0,0,0,0|2,0,1]=4 1429 B9R0.47 CC#CSC[C@H](N)C(O)=O Amb24524580 [0,1,0,0,0,0|1,0,1]=3 1430 B9R0.47 CC(=O)C(=O)OCCSC Amb24690798 [0,1,0,0,0,0|2,0,1]=4 1431 B9R0.47 CC(=O)C(N)CCCCN Amb18644167 [0,1,0,0,0,0|2,0,0]=3 1432 B9R0.47 CC(=O)[C@@H](N)CCCCN Amb25251380 [0,1,0,0,0,0|2,0,0]=3 1433 B9R0.47 CC(C(=O)O)SCCC#N Amb17502364 [0,1,0,0,0,0|3,0,0]=4 1434 B9R0.47 CC(C(=O)O)SCCCN Amb17500677 [0,1,0,0,0,0|3,0,0]=4 1435 B9R0.47 CC(C)C(N)CCSCC Amb24644010 [0,1,0,0,0,0|2,0,1]=4 1436 B9R0.47 CC(CCCC#C)C(O)=O Amb25824201 [0,1,0,0,0,0|2,0,1]=4 1437 B9R0.47 CC(CCCC=C)C(O)=O Amb18643893 [0,1,0,0,0,0|2,0,1]=4 1438 B9R0.47 CC(CCCCF)C(O)=O Amb24370978 [0,1,0,0,0,0|2,0,0]=3 1439 B9R0.47 CC(CCCCN)C(O)=O Amb18644200 [0,1,0,0,0,0|2,0,0]=3 1440 B9R0.47 CC(CCCSC)C(C)O Amb24361756 [0,1,0,0,0,0|2,0,1]=4 1441 B9R0.47 CC(CCOC=O)C(O)=O Amb18644245 [0,1,0,0,0,0|1,1,1]=4 1442 B9R0.47 CC(CNCCF)C(O)=O Amb25061129 [0,1,0,0,0,0|3,0,0]=4 1443 B9R0.47 CC(CSCC#C)C(O)=O Amb24703279 [0,1,0,0,0,0|2,0,1]=4 1444 B9R0.47 CC(CSCCF)C(O)=O Amb25696347 [0,1,0,0,0,0|3,0,0]=4 1445 B9R0.47 CC(CSCCN)C(O)=O Amb18788221 [0,1,0,0,0,0|3,0,0]=4 1446 B9R0.47 CC(NCCC=C)C(O)=O Amb25309133 [0,1,0,0,0,0|2,0,1]=4 1447 B9R0.47 CC(NCCCF)C(O)=O Amb24407596 [0,1,0,0,0,0|3,0,0]=4 1448 B9R0.47 CC(O)C(N)CCCCC Amb18644212 [0,1,0,0,0,0|2,0,1]=4 1449 B9R0.47 CC(OCCC#C)C(O)=O Amb25685097 [0,1,0,0,0,0|2,0,1]=4 1450 B9R0.47 CC(OCCC#N)C(O)=O Amb25777717 [0,1,0,0,0,0|3,0,0]=4 1451 B9R0.47 CC(OCCCF)C(O)=O Amb24602795 [0,1,0,0,0,0|3,0,0]=4 1452 B9R0.47 CC(OCCCN)C(O)=O Amb18111477 [0,1,0,0,0,0|3,0,0]=4 1453 B9R0.47 CC(OCCCO)C(O)=O Amb25132795 [0,1,0,0,0,0|3,0,0]=4 1454 B9R0.47 CC(SCCCS)C(O)=O Amb18648366 [0,1,0,0,0,0|3,0,0]=4 1455 B9R0.47 CC=C=CCC(N)C(O)=O Amb24427636 [0,1,0,0,0,0|1,0,1]=3 1456 B9R0.47 CCC#CCC(C)C(O)=O Amb24392620 [0,1,0,0,0,0|2,0,1]=4 1457 B9R0.47 CCC#CC[C@H](C)C(O)=O Amb25843119 [0,1,0,0,0,0|2,0,1]=4 1458 B9R0.47 CCCC#CC(O)C(O)=O Amb24480403 [0,1,0,0,0,0|2,0,1]=4 1459 B9R0.47 CCCCCC(=C)C(O)=O Amb18643927 [0,1,0,0,0,0|2,0,1]=4 1460 B9R0.47 CCCCCC(=O)C(O)=O Amb18644122 [0,1,0,0,0,0|2,0,1]=4 1461 B9R0.47 CCCCCC(Br)C(N)=O Amb25857400 [0,1,0,0,0,0|3,0,0]=4 1462 B9R0.47 CCCCCC(Br)C(O)=O Amb18130346 [0,1,0,0,0,0|2,0,0]=3 1463 B9R0.47 CCCCCC(C(=O)O)F Amb17593693 [0,1,0,0,0,0|2,0,0]=3 1464 B9R0.47 CCCCCC(C)C(=O)Cl Amb25127828 [0,1,0,0,0,0|3,0,0]=4 1465 B9R0.47 CCCCCC(C)C(N)=O Amb24568260 [0,1,0,0,0,0|3,0,0]=4 1466 B9R0.47 CCCCCC(C)P(O)=O Amb25287382 [0,1,0,0,0,0|3,0,0]=4 1467 B9R0.47 CCCCCC(Cl)C(N)=O Amb18800736 [0,1,0,0,0,0|3,0,0]=4 1468 B9R0.47 CCCCCC(Cl)C(O)=O Amb18646187 [0,1,0,0,0,0|2,0,0]=3 1469 B9R0.47 CCCCCC(F)C(C)=O Amb25763258 [0,1,0,0,0,0|3,0,0]=4 1470 B9R0.47 CCCCCC(F)C(N)=O Amb25147451 [0,1,0,0,0,0|3,0,0]=4 1471 B9R0.47 CCCCCC(N)C(C)=C Amb24431216 [0,1,0,0,0,0|3,0,0]=4 1472 B9R0.47 CCCCCC(N)C(C)=O Amb24446263 [0,1,0,0,0,0|2,0,0]=3 1473 B9R0.47 CCCCCC(N)C(N)=O Amb25843277 [0,1,0,0,0,0|2,0,0]=3 1474 B9R0.47 CCCCCC(O)C(N)=O Amb24478096 [0,1,0,0,0,0|3,0,0]=4 1475 B9R0.47 CCCCCC(O)C(O)=O Amb17778103 [0,1,0,0,0,0|2,0,0]=3 1476 B9R0.47 CCCCC[C@@H](C(=O)O)C Amb10844510 [0,1,0,0,0,0|2,0,0]=3 1477 B9R0.47 CCCCC[C@@H](N)C(O)=O Amb22745982 [0,1,0,0,0,0|1,0,0]=2 1478 B9R0.47 CCCCC[C@@H](O)C(C)=O Amb24480618 [0,1,0,0,0,0|3,0,0]=4 1479 B9R0.47 CCCCC[C@H](Br)C(C)=O Amb25187962 [0,1,0,0,0,0|3,0,0]=4 1480 B9R0.47 CCCCC[C@H](C(=O)O)C Amb10844515 [0,1,0,0,0,0|2,0,0]=3 1481 B9R0.47 CCCCC[C@H](C)C(C)=O Amb25134138 [0,1,0,0,0,0|3,0,0]=4 1482 B9R0.47 CCCCC[C@H](N)C(N)=O Amb24502148 [0,1,0,0,0,0|2,0,0]=3 1483 B9R0.47 CCCCC[C@H](N)C(O)=O Amb17943098 [0,1,0,0,0,0|1,0,0]=2 1484 B9R0.47 CCCCC[C@H](O)C(O)=O Amb25728353 [0,1,0,0,0,0|2,0,0]=3 1485 B9R0.47 CCCCNC(=N)C(O)=O Amb24746786 [0,1,0,0,0,0|1,0,2]=4 1486 B9R0.47 CCCCNC(C)C(C)=O Amb25294138 [0,1,0,0,0,0|3,0,0]=4 1487 B9R0.47 CCCCOC(Cl)C(=O)Cl Amb24626835 [0,1,0,0,0,0|3,0,0]=4 1488 B9R0.47 CCCCO[C@H](C)C(O)=O Amb24480807 [0,1,0,0,0,0|2,0,0]=3 1489 B9R0.47 CCCCSC(C)C(N)=O Amb18183483 [0,1,0,0,0,0|3,0,0]=4 1490 B9R0.47 CCCCS[C@H](C)C(O)=O Amb24725214 [0,1,0,0,0,0|2,0,0]=3 1491 B9R0.47 CCCC\C=C(/N)\C(N)=O Amb24640945 [0,1,0,0,0,0|2,0,1]=4 1492 B9R0.47 CCCC\C=C(\Cl)/C(O)=O Amb25299436 [0,1,0,0,0,0|2,0,1]=4 1493 B9R0.47 CCCNCC(=C)C(O)=O Amb24479657 [0,1,0,0,0,0|2,0,1]=4 1494 B9R0.47 CCCNCC(O)C(O)=O Amb24734975 [0,1,0,0,0,0|2,0,0]=3 1495 B9R0.47 CCCOCC(C)C(C)=O Amb24725662 [0,1,0,0,0,0|3,0,0]=4 1496 B9R0.47 CCCOCC(Cl)C(O)=O Amb25713951 [0,1,0,0,0,0|2,0,0]=3 1497 B9R0.47 CCCOCC(N)C(C)=C Amb24375016 [0,1,0,0,0,0|3,0,0]=4 1498 B9R0.47 CCCOCC(N)C(O)=O Amb24621740 [0,1,0,0,0,0|1,0,0]=2 1499 B9R0.47 CCCOCC(O)C(O)=O Amb25098725 [0,1,0,0,0,0|2,0,0]=3 1500 B9R0.47 CCCONC(C)C(O)=O Amb25664130 [0,1,0,0,0,0|3,0,0]=4 1501 B9R0.47 CCCSCC(N)C(N)=O Amb18788146 [0,1,0,0,0,0|2,0,0]=3 1502 B9R0.47 CCCSC[C@@H](N)C(O)=O Amb18792511 [0,1,0,0,0,0|1,0,0]=2 1503 B9R0.47 CCCSC[C@H](O)C(O)=O Amb24482234 [0,1,0,0,0,0|2,0,0]=3 1504 B9R0.47 CCC\C=C\C(C)C(O)=O Amb25687429 [0,1,0,0,0,0|2,0,1]=4 1505 B9R0.47 CCC\C=C\C(N)C(O)=O Amb24656860 [0,1,0,0,0,0|1,0,1]=3 1506 B9R0.47 CCC\C=C\C(O)C(O)=O Amb25113481 [0,1,0,0,0,0|2,0,1]=4 1507 B9R0.47 CCC\C=C\[C@H](N)C(O)=O Amb24547580 [0,1,0,0,0,0|1,0,1]=3 1508 B9R0.47 CCC\C=N\[C@@H](C)C(O)=O Amb24401135 [0,1,0,0,0,0|2,0,1]=4 1509 B9R0.47 CCOCCC(Cl)C(C)=O Amb24407317 [0,1,0,0,0,0|2,1,0]=4 1510 B9R0.47 CCOCCC(N)C(C)=C Amb25836049 [0,1,0,0,0,0|2,1,0]=4 1511 B9R0.47 CCOCCC(N)C(N)=O Amb25354003 [0,1,0,0,0,0|1,1,0]=3 1512 B9R0.47 CCOCC[C@H](C)C(O)=O Amb25791629 [0,1,0,0,0,0|1,1,0]=3 1513 B9R0.47 CCOCSC(C)C(O)=O Amb24456124 [0,1,0,0,0,0|2,1,0]=4 1514 B9R0.47 CCONCC(N)C(O)=O Amb25350611 [0,1,0,0,0,0|1,1,0]=3 1515 B9R0.47 CCSCCC(C(=O)O)C Amb10844082 [0,1,0,0,0,0|1,0,0]=2 1516 B9R0.47 CCSCCC(C(=O)O)N Amb2137050 [0,1,0,0,0,0|0,0,0]=1 1517 B9R0.47 CCSCCC(N)C(N)=O Amb18177774 [0,1,0,0,0,0|1,0,0]=2 1518 B9R0.47 CCSCCC(N)C(O)=O Amb22904200 [0,1,0,0,0,0|0,0,0]=1 1519 B9R0.47 CCSCCC(O)C(O)=O Amb24482157 [0,1,0,0,0,0|1,0,0]=2 1520 B9R0.47 CCSCC[C@@H](C(=O)O)N Amb17613844 [0,1,0,0,0,0|0,0,0]=1 1521 B9R0.47 CCSCC[C@H](C(=O)O)N Amb17613843 [0,1,0,0,0,0|0,0,0]=1 1522 B9R0.47 CC[Se]CCC(C(=O)O)N Amb17620056 [0,1,0,0,0,0|0,1,0]=2 1523 B9R0.47 CC\C=C\CC(N)C(O)=O Amb25255710 [0,1,0,0,0,0|1,0,1]=3 1524 B9R0.47 CC\C=C\CC(O)C(O)=O Amb24480470 [0,1,0,0,0,0|2,0,1]=4 1525 B9R0.47 CC\C=C\C[C@H](N)C(O)=O Amb24617272 [0,1,0,0,0,0|1,0,1]=3 1526 B9R0.47 CNCCCC(C)C(O)=O Amb25313872 [0,1,0,0,0,0|2,0,0]=3 1527 B9R0.47 CNCCCC(N)C(O)=O Amb18644279 [0,1,0,0,0,0|1,0,0]=2 1528 B9R0.47 CNCCC[C@H](N)C(O)=O Amb24377155 [0,1,0,0,0,0|1,0,0]=2 1529 B9R0.47 CNCCNC(=O)C(O)=O Amb18644254 [0,1,0,0,0,0|2,0,1]=4 1530 B9R0.47 CNCCOC(C)C(C)=O Amb18111841 [0,1,0,0,0,0|3,0,0]=4 1531 B9R0.47 CNCCOC(C)C(N)=O Amb24727850 [0,1,0,0,0,0|3,0,0]=4 1532 B9R0.47 CNCCOC(C)C(O)=O Amb18630742 [0,1,0,0,0,0|2,0,0]=3 1533 B9R0.47 CNCCSC(F)C(O)=O Amb24601985 [0,1,0,0,0,0|2,0,0]=3 1534 B9R0.47 CNOCCC(N)C(O)=O Amb24477008 [0,1,0,0,0,0|0,1,0]=2 1535 B9R0.47 COCCCC(Cl)C(C)=O Amb25708322 [0,1,0,0,0,0|2,1,0]=4 1536 B9R0.47 COCCCC(N)C(C)=O Amb24628741 [0,1,0,0,0,0|1,1,0]=3 1537 B9R0.47 COCCCC(N)C(O)=O Amb20628315 [0,1,0,0,0,0|0,1,0]=2 1538 B9R0.47 COCCCC(N)C(O)=O Amb22058809 [0,1,0,0,0,0|0,1,0]=2 1539 B9R0.47 COCCC[C@@H](N)C(O)=O Amb25081508 [0,1,0,0,0,0|0,1,0]=2 1540 B9R0.47 COCCC[C@H](N)C(O)=O Amb25378737 [0,1,0,0,0,0|0,1,0]=2 1541 B9R0.47 COCCNC(C)C(N)=O Amb19222868 [0,1,0,0,0,0|2,1,0]=4 1542 B9R0.47 COCCOC(=O)C(O)=O Amb24376746 [0,1,0,0,0,0|1,1,1]=4 1543 B9R0.47 COCCOC(C)C(N)=O Amb24471883 [0,1,0,0,0,0|2,1,0]=4 1544 B9R0.47 COCCSC(C)C(N)=O Amb18792461 [0,1,0,0,0,0|2,1,0]=4 1545 B9R0.47 COCCSC(F)C(O)=O Amb25342930 [0,1,0,0,0,0|1,1,0]=3 1546 B9R0.47 COCOCC(C)C(C)=O Amb25146475 [0,1,0,0,0,0|2,1,0]=4 1547 B9R0.47 COCOC[C@@H](C)C(O)=O Amb24505310 [0,1,0,0,0,0|1,1,0]=3 1548 B9R0.47 COCSCC(N)C(O)=O Amb25287934 [0,1,0,0,0,0|0,1,0]=2 1549 B9R0.47 COCSC[C@@H](N)C(O)=O Amb25225221 [0,1,0,0,0,0|0,1,0]=2 1550 B9R0.47 COCSC[C@H](N)C(O)=O Amb25275942 [0,1,0,0,0,0|0,1,0]=2 1551 B9R0.47 COC\C=C\C(O)C(O)=O Amb24340201 [0,1,0,0,0,0|1,1,1]=4 1552 B9R0.47 COC\C=C\[C@@H](O)C(O)=O Amb24426897 [0,1,0,0,0,0|1,1,1]=4 1553 B9R0.47 CONCCC(N)C(O)=O Amb25311314 [0,1,0,0,0,0|0,1,0]=2 1554 B9R0.47 CSCCCC(C(=O)O)N Amb17594057 [0,1,0,0,0,0|0,0,0]=1 1555 B9R0.47 CSCCCC(O)C(O)=O Amb25169340 [0,1,0,0,0,0|1,0,0]=2 1556 B9R0.47 CSCCCN(C)C(=O)Cl Amb25281512 [0,1,0,0,0,0|3,0,0]=4 1557 B9R0.47 CSCCCN(C)C(C)=O Amb24645869 [0,1,0,0,0,0|3,0,0]=4 1558 B9R0.47 CSCCCN(C)C(N)=O Amb24458707 [0,1,0,0,0,0|3,0,0]=4 1559 B9R0.47 CSCCNC(C)C(O)=O Amb25805024 [0,1,0,0,0,0|1,0,0]=2 1560 B9R0.47 CSCCN[C@@H](C)C(O)=O Amb24554487 [0,1,0,0,0,0|1,0,0]=2 1561 B9R0.47 CSCCN[C@H](C)C(O)=O Amb25027967 [0,1,0,0,0,0|1,0,0]=2 1562 B9R0.47 CSCCOC(C)C(N)=O Amb24730449 [0,1,0,0,0,0|2,0,0]=3 1563 B9R0.47 CSCCOC(C)C(O)=O Amb24482366 [0,1,0,0,0,0|1,0,0]=2 1564 B9R0.47 CSCCOC(F)C(O)=O Amb25683225 [0,1,0,0,0,0|1,0,0]=2 1565 B9R0.47 CSCCO[C@@H](C)C(O)=O Amb25146944 [0,1,0,0,0,0|1,0,0]=2 1566 B9R0.47 CSCCSC(C)C(C)O Amb24509345 [0,1,0,0,0,0|2,0,1]=4 1567 B9R0.47 CSCSC[C@@H](N)C(O)=O Amb25360905 [0,1,0,0,0,0|0,0,0]=1 1568 B9R0.47 CSSCC[C@H](N)C(O)=O Amb25111241 [0,1,0,0,0,0|0,0,0]=1 1569 B9R0.47 C[C@@H](NCCC=C)C(O)=O Amb25702627 [0,1,0,0,0,0|2,0,1]=4 1570 B9R0.47 C[C@@H](NCCCF)C(O)=O Amb25049576 [0,1,0,0,0,0|3,0,0]=4 1571 B9R0.47 C[C@@H](NCCCN)C(O)=O Amb25710680 [0,1,0,0,0,0|3,0,0]=4 1572 B9R0.47 C[C@@H](O)[C@H](N)CCCCC Amb24679627 [0,1,0,0,0,0|2,0,1]=4 1573 B9R0.47 C[C@@H](OCCCF)C(O)=O Amb25146943 [0,1,0,0,0,0|3,0,0]=4 1574 B9R0.47 C[C@@H](OCCCO)C(O)=O Amb24692362 [0,1,0,0,0,0|3,0,0]=4 1575 B9R0.47 C[C@H](CCN=[N+]=[N-])C(O)=O Amb25202068 [0,1,0,0,0,0|3,0,0]=4 1576 B9R0.47 C[C@H](NCCC#N)C(O)=O Amb25090098 [0,1,0,0,0,0|3,0,0]=4 1577 B9R0.47 C[C@H](NCCCF)C(O)=O Amb25300818 [0,1,0,0,0,0|3,0,0]=4 1578 B9R0.47 C[C@H](NCCCN)C(O)=O Amb24653332 [0,1,0,0,0,0|3,0,0]=4 1579 B9R0.47 C[C@H](OCCC#C)C(O)=O Amb25265806 [0,1,0,0,0,0|2,0,1]=4 1580 B9R0.47 C[C@H](OCCCN)C(O)=O Amb25146951 [0,1,0,0,0,0|3,0,0]=4 1581 B9R0.47 C[C@H](OCCCO)C(O)=O Amb25720488 [0,1,0,0,0,0|3,0,0]=4 1582 B9R0.47 C\C(=C/CCCC)\C(O)=O Amb18643947 [0,1,0,0,0,0|2,0,1]=4 1583 B9R0.47 C\C=C/CCC(C)C(C)=O Amb24570857 [0,1,0,0,0,0|3,0,0]=4 1584 B9R0.47 C\C=C/SC[C@H](N)C(O)=O Amb24602399 [0,1,0,0,0,0|1,0,1]=3 1585 B9R0.47 C\C=C\COC(F)C(O)=O Amb25289842 [0,1,0,0,0,0|2,0,1]=4 1586 B9R0.47 C\C=C\SCC(N)C(O)=O Amb24355928 [0,1,0,0,0,0|1,0,1]=3 1587 B9R0.47 N#CCCCC(C(=O)O)Cl Amb17594023 [0,1,0,0,0,0|2,0,1]=4 1588 B9R0.47 NC(CCCC#N)C(O)=O Amb25242567 [0,1,0,0,0,0|1,0,1]=3 1589 B9R0.47 NC(CCCCBr)P(O)=O Amb25706143 [0,1,0,0,0,0|2,0,0]=3 1590 B9R0.47 NC(CCCCCl)C(O)=O Amb25141944 [0,1,0,0,0,0|1,0,0]=2 1591 B9R0.47 NC(CCCCS)C(O)=O Amb25363159 [0,1,0,0,0,0|1,0,0]=2 1592 B9R0.47 NC(CCCNO)C(O)=O Amb24722710 [0,1,0,0,0,0|2,0,0]=3 1593 B9R0.47 NC(CCC[13CH2][15NH2])C(O)=O Amb22351283 [0,1,0,0,0,0|1,0,0]=2 1594 B9R0.47 NC(CCNC=O)C(O)=O Amb24355941 [0,1,0,0,0,0|1,0,1]=3 1595 B9R0.47 NC(CCNCO)C(O)=O Amb25701616 [0,1,0,0,0,0|1,0,0]=2 1596 B9R0.47 NC(CCSCF)C(O)=O Amb24610565 [0,1,0,0,0,0|0,0,0]=1 1597 B9R0.47 NC(CNCCF)C(N)=O Amb25132328 [0,1,0,0,0,0|3,0,0]=4 1598 B9R0.47 NC(CNCCO)C(O)=O Amb25073329 [0,1,0,0,0,0|2,0,0]=3 1599 B9R0.47 NC(COCCCl)C(O)=O Amb18126477 [0,1,0,0,0,0|2,0,0]=3 1600 B9R0.47 NC(CSCCCl)C(O)=O Amb18129288 [0,1,0,0,0,0|2,0,0]=3 1601 B9R0.47 NC(CSCCF)C(O)=O Amb25054114 [0,1,0,0,0,0|2,0,0]=3 1602 B9R0.47 NC(CSCCO)C(N)=O Amb18788315 [0,1,0,0,0,0|3,0,0]=4 1603 B9R0.47 NC(C\C=C\CO)C(O)=O Amb25253501 [0,1,0,0,0,0|1,0,1]=3 1604 B9R0.47 NC(\C=C\CCO)C(O)=O Amb25228356 [0,1,0,0,0,0|1,0,2]=4 1605 B9R0.47 NCC#CCC(N)C(O)=O Amb25369913 [0,1,0,0,0,0|1,0,1]=3 1606 B9R0.47 NCC#CC[C@@H](N)C(O)=O Amb24118079 [0,1,0,0,0,0|1,0,1]=3 1607 B9R0.47 NCC#CC[C@@H](N)C(O)=O Amb24611313 [0,1,0,0,0,0|1,0,1]=3 1608 B9R0.47 NCCCCC(=O)C(O)=O Amb25703573 [0,1,0,0,0,0|2,0,1]=4 1609 B9R0.47 NCCCCC(C(=O)N)N Amb17593646 [0,1,0,0,0,0|2,0,0]=3 1610 B9R0.47 NCCCCC(Cl)C(O)=O Amb24540314 [0,1,0,0,0,0|2,0,0]=3 1611 B9R0.47 NCCCCC(F)C(O)=O Amb25147460 [0,1,0,0,0,0|2,0,0]=3 1612 B9R0.47 NCCCCC(N)C(=O)Cl Amb24678769 [0,1,0,0,0,0|2,0,0]=3 1613 B9R0.47 NCCCCC(N)C(O)=O Amb22349470 [0,1,0,0,0,0|1,0,0]=2 1614 B9R0.47 NCCCCC(N)C(O)=O Amb22489521 [0,1,0,0,0,0|1,0,0]=2 1615 B9R0.47 NCCCCC(N)P(O)=O Amb25337348 [0,1,0,0,0,0|2,0,0]=3 1616 B9R0.47 NCCCCC(N)[13C](O)=O Amb22338743 [0,1,0,0,0,0|1,0,0]=2 1617 B9R0.47 NCCCCC(O)C(O)=O Amb18644320 [0,1,0,0,0,0|2,0,0]=3 1618 B9R0.47 NCCCCC(S)C(O)=O Amb24652524 [0,1,0,0,0,0|2,0,0]=3 1619 B9R0.47 NCCCCC([15NH2])C(O)=O Amb22351358 [0,1,0,0,0,0|1,0,0]=2 1620 B9R0.47 NCCCC[13CH](N)C(O)=O Amb22351886 [0,1,0,0,0,0|1,0,0]=2 1621 B9R0.47 NCCCC[13CH](N)[13C](O)=O Amb22336528 [0,1,0,0,0,0|1,0,0]=2 1622 B9R0.47 NCCCC[C@@H](C(=O)O)C Amb10844513 [0,1,0,0,0,0|2,0,0]=3 1623 B9R0.47 NCCCC[C@@H](N)C(N)=O Amb22800869 [0,1,0,0,0,0|2,0,0]=3 1624 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22744766 [0,1,0,0,0,0|1,0,0]=2 1625 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22746247 [0,1,0,0,0,0|1,0,0]=2 1626 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22750565 [0,1,0,0,0,0|1,0,0]=2 1627 B9R0.47 NCCCC[C@H](C(=O)O)N Amb10072417 [0,1,0,0,0,0|1,0,0]=2 1628 B9R0.47 NCCCC[C@H](N)C(N)=O Amb25738519 [0,1,0,0,0,0|2,0,0]=3 1629 B9R0.47 NCCCC[C@H](O)C(O)=O Amb25303562 [0,1,0,0,0,0|2,0,0]=3 1630 B9R0.47 NCCCC[C@H]([15NH2])C(O)=O Amb22354049 [0,1,0,0,0,0|1,0,0]=2 1631 B9R0.47 NCCCO[C@H](N)C(O)=O Amb25111856 [0,1,0,0,0,0|2,0,0]=3 1632 B9R0.47 NCCCSC(F)C(O)=O Amb24717365 [0,1,0,0,0,0|3,0,0]=4 1633 B9R0.47 NCCCSC(N)C(O)=O Amb24443705 [0,1,0,0,0,0|2,0,0]=3 1634 B9R0.47 NCCNCC(N)C(O)=O Amb25032175 [0,1,0,0,0,0|2,0,0]=3 1635 B9R0.47 NCCNCC(O)C(O)=O Amb25135297 [0,1,0,0,0,0|3,0,0]=4 1636 B9R0.47 NCCNC[C@@H](N)C(O)=O Amb25147420 [0,1,0,0,0,0|2,0,0]=3 1637 B9R0.47 NCCNC[C@H](N)C(O)=O Amb24580529 [0,1,0,0,0,0|2,0,0]=3 1638 B9R0.47 NCCOC[C@@H](N)C(O)=O Amb22799590 [0,1,0,0,0,0|2,0,0]=3 1639 B9R0.47 NCCOC[C@@H](N)C(O)=O Amb25679129 [0,1,0,0,0,0|2,0,0]=3 1640 B9R0.47 NCCOC[C@H](N)C(O)=O Amb22231353 [0,1,0,0,0,0|2,0,0]=3 1641 B9R0.47 NCCSCC(N)C(N)=O Amb24368331 [0,1,0,0,0,0|3,0,0]=4 1642 B9R0.47 NCCSCC(N)C(O)=O Amb18126410 [0,1,0,0,0,0|2,0,0]=3 1643 B9R0.47 NCCSC[C@@H](N)C(O)=O Amb22800706 [0,1,0,0,0,0|2,0,0]=3 1644 B9R0.47 NCCSC[C@H](N)C(O)=O Amb22362775 [0,1,0,0,0,0|2,0,0]=3 1645 B9R0.47 NC\C=C\CC(N)C(O)=O Amb22800680 [0,1,0,0,0,0|1,0,1]=3 1646 B9R0.47 NC\C=C\C[C@H](N)C(O)=O Amb25339391 [0,1,0,0,0,0|1,0,1]=3 1647 B9R0.47 NNCCCC(N)C(O)=O Amb24378076 [0,1,0,0,0,0|2,0,0]=3 1648 B9R0.47 NNCCC[C@H](N)C(O)=O Amb24623157 [0,1,0,0,0,0|2,0,0]=3 1649 B9R0.47 NOCCCC(N)C(O)=O Amb24117962 [0,1,0,0,0,0|1,1,0]=3 1650 B9R0.47 N[13CH2]CCCC(N)C(O)=O Amb22367560 [0,1,0,0,0,0|1,0,0]=2 1651 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337497 [0,1,0,0,0,0|1,0,0]=2 1652 B9R0.47 N[14CH2][14CH2][14CH2][14CH2][14CH](N)[14C](O)=O Amb22349598 [0,1,0,0,0,0|1,0,0]=2 1653 B9R0.47 N[C@@H](C(=O)O)CSCC=C Amb10843878 [0,1,0,0,0,0|1,0,1]=3 1654 B9R0.47 N[C@@H](CC#CCO)C(O)=O Amb24479056 [0,1,0,0,0,0|1,0,1]=3 1655 B9R0.47 N[C@@H](CCCCO)C(O)=O Amb22900800 [0,1,0,0,0,0|1,0,0]=2 1656 B9R0.47 N[C@@H](CCCCS)C(O)=O Amb25729289 [0,1,0,0,0,0|1,0,0]=2 1657 B9R0.47 N[C@@H](CCCC[NH3+])C(O)=O Amb22801419 [0,1,0,0,0,0|1,0,0]=2 1658 B9R0.47 N[C@@H](CCCNO)C(O)=O Amb25075377 [0,1,0,0,0,0|2,0,0]=3 1659 B9R0.47 N[C@@H](CCNC#N)C(O)=O Amb24505130 [0,1,0,0,0,0|1,0,1]=3 1660 B9R0.47 N[C@@H](CCNC=O)C(O)=O Amb24692356 [0,1,0,0,0,0|1,0,1]=3 1661 B9R0.47 N[C@@H](CCNCO)C(O)=O Amb24760325 [0,1,0,0,0,0|1,0,0]=2 1662 B9R0.47 N[C@@H](CCSC#N)C(O)=O Amb24482177 [0,1,0,0,0,0|0,0,1]=2 1663 B9R0.47 N[C@@H](CCSN=O)C(O)=O Amb24665147 [0,1,0,0,0,0|1,0,0]=2 1664 B9R0.47 N[C@@H](CNCCO)C(O)=O Amb25146307 [0,1,0,0,0,0|2,0,0]=3 1665 B9R0.47 N[C@@H](COCCO)C(O)=O Amb24479093 [0,1,0,0,0,0|2,0,0]=3 1666 B9R0.47 N[C@@H](CSCC#C)C(O)=O Amb17935864 [0,1,0,0,0,0|1,0,1]=3 1667 B9R0.47 N[C@@H](CSCC#N)C(O)=O Amb18179968 [0,1,0,0,0,0|2,0,0]=3 1668 B9R0.47 N[C@@H](CSSC#N)C(O)=O Amb24482252 [0,1,0,0,0,0|1,0,1]=3 1669 B9R0.47 N[C@@H](CS\C=C\Cl)C(O)=O Amb24384379 [0,1,0,0,0,0|2,0,1]=4 1670 B9R0.47 N[C@H](CNCCO)C(O)=O Amb24617539 [0,1,0,0,0,0|2,0,0]=3 1671 B9R0.47 N[C@H](COCCCl)C(O)=O Amb24426914 [0,1,0,0,0,0|2,0,0]=3 1672 B9R0.47 N[C@H](CSCC#N)C(O)=O Amb25837533 [0,1,0,0,0,0|2,0,0]=3 1673 B9R0.47 N[C@H](\C=C\CCO)C(O)=O Amb24603441 [0,1,0,0,0,0|1,0,2]=4 1674 B9R0.47 O=C(Cl)C(Br)CCCCCl Amb24716966 [0,1,0,0,0,0|3,0,0]=4 1675 B9R0.47 O=CCCCC(C(=O)O)N Amb17619026 [0,1,0,0,0,0|1,0,1]=3 1676 B9R0.47 OC(=O)C(=O)CCCCF Amb25259949 [0,1,0,0,0,0|2,0,1]=4 1677 B9R0.47 OC(=O)C(Br)CCCCBr Amb21964537 [0,1,0,0,0,0|2,0,0]=3 1678 B9R0.47 OC(=O)C(Cl)CCCCCl Amb24442431 [0,1,0,0,0,0|2,0,0]=3 1679 B9R0.47 OC(=O)C(F)CCCCF Amb24482414 [0,1,0,0,0,0|2,0,0]=3 1680 B9R0.47 OC(CCNC=O)C(O)=O Amb24480985 [0,1,0,0,0,0|2,0,1]=4 1681 B9R0.47 OCCCCC(O)C(O)=O Amb18644356 [0,1,0,0,0,0|2,0,0]=3 1682 B9R0.47 OCCCC[C@H](O)C(O)=O Amb24480682 [0,1,0,0,0,0|2,0,0]=3 1683 B9R0.47 OCCCSC(F)C(O)=O Amb24659088 [0,1,0,0,0,0|3,0,0]=4 1684 B9R0.47 OCCNC[C@H](O)C(O)=O Amb25316160 [0,1,0,0,0,0|3,0,0]=4 1685 B9R0.47 OCCSCC(O)C(O)=O Amb25211640 [0,1,0,0,0,0|3,0,0]=4 1686 B9R0.47 O[C@@H](CCNC=O)C(O)=O Amb24481075 [0,1,0,0,0,0|2,0,1]=4 1687 B9R0.47 [15NH2]CCCCC([15NH2])C(O)=O Amb22363194 [0,1,0,0,0,0|1,0,0]=2 1688 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(O)=O Amb22353587 [0,1,0,0,0,0|1,0,0]=2 1689 B9R0.47 [2H][13CH2]SCC[C@H](N)C(O)=O Amb22337395 [0,1,0,0,0,0|0,0,0]=1 1690 B9R0.47 [N-]=[N+]=NCCC(N)C(O)=O Amb25766449 [0,1,0,0,0,0|2,0,0]=3 1691 B9R0.47 [N-]=[N+]=NCCC(O)C(O)=O Amb25695933 [0,1,0,0,0,0|3,0,0]=4 1692 B9R0.47 [N-]=[N+]=NCCC(S)C(O)=O Amb24398840 [0,1,0,0,0,0|3,0,0]=4 1693 B9R0.47 [N-]=[N+]=NCC[C@@H](C(=O)O)N Amb16183915 [0,1,0,0,0,0|2,0,0]=3 1694 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(O)=O Amb19130389 [0,1,0,0,0,0|2,0,0]=3 1695 B9R0.51 C=CCCC(Cl)(Cl)C(O)=O Amb24692869 [0,1,0,0,0,0|2,0,1]=4 1696 B9R0.51 CC(C(=O)O)(CCCC)O Amb17593657 [0,1,0,0,0,0|2,0,0]=3 1697 B9R0.51 CC(C)(CCC#C)C(O)=O Amb25697491 [0,1,0,0,0,0|2,0,1]=4 1698 B9R0.51 CC(C)(CCC=C)C(O)=O Amb22228237 [0,1,0,0,0,0|2,0,1]=4 1699 B9R0.51 CC(C)(CCCBr)C(O)=O Amb18131057 [0,1,0,0,0,0|3,0,0]=4 1700 B9R0.51 CC(C)(CCCS)C(O)=O Amb25699465 [0,1,0,0,0,0|3,0,0]=4 1701 B9R0.51 CC(Cl)(CCC#N)C(O)=O Amb24482430 [0,1,0,0,0,0|3,0,0]=4 1702 B9R0.51 CC(N)(CCC=C)C(O)=O Amb24524526 [0,1,0,0,0,0|1,0,1]=3 1703 B9R0.51 CC(N)(CCCN)C(N)=O Amb24583159 [0,1,0,0,0,0|3,0,0]=4 1704 B9R0.51 CC(N)(CCCN)C(O)=O Amb18644277 [0,1,0,0,0,0|2,0,0]=3 1705 B9R0.51 CC(N)(CCCO)C(N)=O Amb24353259 [0,1,0,0,0,0|3,0,0]=4 1706 B9R0.51 CC(N)(CCCO)C(O)=O Amb24061058 [0,1,0,0,0,0|2,0,0]=3 1707 B9R0.51 CC(O)(CCCN)C(O)=O Amb25380779 [0,1,0,0,0,0|3,0,0]=4 1708 B9R0.51 CCCCC(C)(C)C(=O)Cl Amb24705541 [0,1,0,0,0,0|3,0,0]=4 1709 B9R0.51 CCCCC(C)(C)C(C)=O Amb25302438 [0,1,0,0,0,0|3,0,0]=4 1710 B9R0.51 CCCCC(C)(C)C(N)=O Amb25798396 [0,1,0,0,0,0|3,0,0]=4 1711 B9R0.51 CCCCC(C)(Cl)C(O)=O Amb24373145 [0,1,0,0,0,0|2,0,0]=3 1712 B9R0.51 CCCCC(C)(F)C(O)=O Amb24444856 [0,1,0,0,0,0|2,0,0]=3 1713 B9R0.51 CCCCC(C)(N)C(N)=O Amb25321316 [0,1,0,0,0,0|2,0,0]=3 1714 B9R0.51 CCCCC(F)(F)C(O)=O Amb19929267 [0,1,0,0,0,0|2,0,0]=3 1715 B9R0.51 CCCCC(F)(F)C([O-])=O Amb22008194 [0,1,0,0,0,0|2,0,1]=4 1716 B9R0.51 CCCC[C@@](C)(F)C(O)=O Amb24622375 [0,1,0,0,0,0|2,0,0]=3 1717 B9R0.51 CCCC[C@@](C)(N)C(O)=O Amb19929613 [0,1,0,0,0,0|1,0,0]=2 1718 B9R0.51 CCCOC(C)(C)C(O)=O Amb18305285 [0,1,0,0,0,0|3,0,0]=4 1719 B9R0.51 CCCOC(C)(O)C(O)=O Amb25341784 [0,1,0,0,0,0|3,0,0]=4 1720 B9R0.51 CCCSC(C(=O)O)(C)C Amb17501481 [0,1,0,0,0,0|3,0,0]=4 1721 B9R0.51 CCNCC(C)(C)C(O)=O Amb25232529 [0,1,0,0,0,0|3,0,0]=4 1722 B9R0.51 CCSCC(C)(N)C(N)=O Amb18788144 [0,1,0,0,0,0|3,0,0]=4 1723 B9R0.51 CCSCC(C)(N)C(O)=O Amb18788224 [0,1,0,0,0,0|2,0,0]=3 1724 B9R0.51 CCSCC(C)(O)C(O)=O Amb18646119 [0,1,0,0,0,0|3,0,0]=4 1725 B9R0.51 CCSC[C@](C)(N)C(O)=O Amb24390760 [0,1,0,0,0,0|2,0,0]=3 1726 B9R0.51 COCCC(C)(C)C(N)=O Amb25688614 [0,1,0,0,0,0|2,1,0]=4 1727 B9R0.51 COCCC(C)(C)C(O)=O Amb19029437 [0,1,0,0,0,0|1,1,0]=3 1728 B9R0.51 COCCC(C)(N)C(N)=O Amb24478104 [0,1,0,0,0,0|1,1,0]=3 1729 B9R0.51 COCCC(C)(N)C(O)=O Amb23580585 [0,1,0,0,0,0|0,1,0]=2 1730 B9R0.51 COCCC(C)(O)C(N)=O Amb25352238 [0,1,0,0,0,0|2,1,0]=4 1731 B9R0.51 COCCC(C)(O)C(O)=O Amb23454643 [0,1,0,0,0,0|1,1,0]=3 1732 B9R0.51 COCC[C@@](C)(N)C(O)=O Amb24664972 [0,1,0,0,0,0|0,1,0]=2 1733 B9R0.51 COCSC(C)(C)C(O)=O Amb24699728 [0,1,0,0,0,0|2,1,0]=4 1734 B9R0.51 CONCC(C)(C)C(O)=O Amb25844898 [0,1,0,0,0,0|2,1,0]=4 1735 B9R0.51 CSCCC(C(=O)O)(C)C Amb10844081 [0,1,0,0,0,0|1,0,0]=2 1736 B9R0.51 CSCCC(C)(N)C(N)=O Amb18788148 [0,1,0,0,0,0|1,0,0]=2 1737 B9R0.51 CSCC[C@@](C)(N)C(O)=O Amb24482190 [0,1,0,0,0,0|0,0,0]=1 1738 B9R0.51 C[C@](N)(CCC=C)C(O)=O Amb24478852 [0,1,0,0,0,0|1,0,1]=3 1739 B9R0.51 C[C@](N)(CCCN)C(O)=O Amb24480786 [0,1,0,0,0,0|2,0,0]=3 1740 B9R0.51 C[C@](N)(CN=[N+]=[N-])C(O)=O Amb25046660 [0,1,0,0,0,0|3,0,0]=4 1741 B9R0.51 C\C=C\CC(C)(C)C(O)=O Amb18643881 [0,1,0,0,0,0|2,0,1]=4 1742 B9R0.51 C\C=C\CC(C)(F)C(O)=O Amb25194355 [0,1,0,0,0,0|2,0,1]=4 1743 B9R0.51 C\C=C\CC(C)(O)C(O)=O Amb25703139 [0,1,0,0,0,0|2,0,1]=4 1744 B9R0.51 C\C=C\CC(Cl)(Cl)C(O)=O Amb24482317 [0,1,0,0,0,0|2,0,1]=4 1745 B9R0.51 C\C=C\CC(F)(Cl)C(O)=O Amb25780002 [0,1,0,0,0,0|2,0,1]=4 1746 B9R0.51 C\C=C\C[C@@](C)(N)C(O)=O Amb25147509 [0,1,0,0,0,0|1,0,1]=3 1747 B9R0.51 C\C=C\C[C@@](C)(O)C(O)=O Amb24480749 [0,1,0,0,0,0|2,0,1]=4 1748 B9R0.51 NC(N)(CCCO)C(O)=O Amb25300624 [0,1,0,0,0,0|2,0,0]=3 1749 B9R0.51 NCCCC(Br)(Br)C(O)=O Amb25120084 [0,1,0,0,0,0|3,0,0]=4 1750 B9R0.51 NCCCC(C(=O)O)(Cl)Cl Amb17594797 [0,1,0,0,0,0|3,0,0]=4 1751 B9R0.51 OC(=O)C(Cl)(Cl)CCCCl Amb25075193 [0,1,0,0,0,0|3,0,0]=4 1752 B9R0.51 OCCCC(F)(F)C(O)=O Amb24652882 [0,1,0,0,0,0|3,0,0]=4 1753 B9R0.51 [2H]C(N)(CCSC)C(O)=O Amb22367539 [0,1,0,0,0,0|0,0,0]=1 1754 B9R0.51 [2H]C([2H])(CCCC)C(O)=O Amb22338412 [0,1,0,0,0,0|2,0,0]=3 1755 B9R1.5 CC1CCNCCC1=O Amb22263520 [0,0,0,1,0,0|3,0,0]=4 1756 B9R1.5 CC1CCNCCC1=O Amb22886271 [0,0,0,1,0,0|3,0,0]=4 1757 B9R1.5 CC1CCSCCC1=O Amb25092920 [0,0,0,1,0,0|2,0,0]=3 1758 B9R1.5 C[C@@H]1CCCCCC1=O Amb25032177 [0,0,0,1,0,0|3,0,0]=4 1759 B9R1.5 C[C@H]1CCCCCC1=O Amb24475484 [0,0,0,1,0,0|3,0,0]=4 1760 B9R1.5 NC1CCCCCC1=O Amb18276126 [0,0,0,1,0,0|2,0,0]=3 1761 B9R1.5 NC1CCCCNC1=O Amb19958477 [0,0,0,1,0,0|2,0,0]=3 1762 B9R1.5 NC1CNCCNC1=O Amb24476665 [0,0,0,1,0,0|3,0,0]=4 1763 B9R1.5 NC1COCCNC1=O Amb24409830 [0,0,0,1,0,0|3,0,0]=4 1764 B9R1.5 NC1CSCCNC1=O Amb25336468 [0,0,0,1,0,0|3,0,0]=4 1765 B9R1.5 NN1CCCCCC1=O Amb22494978 [0,0,0,1,0,0|3,0,0]=4 1766 B9R1.5 NN1CCCCCC1=O Amb22495331 [0,0,0,1,0,0|3,0,0]=4 1767 B9R1.5 N[C@@H]1CCCCC[C@@H]1O Amb1994010 [0,0,0,1,0,0|2,0,1]=4 1768 B9R1.5 N[C@@H]1CCCCC[C@H]1O Amb1994009 [0,0,0,1,0,0|2,0,1]=4 1769 B9R1.5 N[C@@H]1CCCCNC1=O Amb20670688 [0,0,0,1,0,0|2,0,0]=3 1770 B9R1.5 N[C@@H]1CSCCNC1=O Amb19374458 [0,0,0,1,0,0|3,0,0]=4 1771 B9R1.5 N[C@H]1CCCCC[C@H]1O Amb22270235 [0,0,0,1,0,0|2,0,1]=4 1772 B9R1.5 N[C@H]1CCCCNC1=O Amb19929579 [0,0,0,1,0,0|2,0,0]=3 1773 B9R1.5 O=C1CCCCCC1Br Amb18325296 [0,0,0,1,0,0|3,0,0]=4 1774 B9R1.5 O=C1CCCCCC1F Amb21965071 [0,0,0,1,0,0|3,0,0]=4 1775 B9R1.5 O=C1CCCCC[C@H]1F Amb25318902 [0,0,0,1,0,0|3,0,0]=4 1776 B9R1.5 O=C1CCNCCC1F Amb22886247 [0,0,0,1,0,0|3,0,0]=4 1777 B9R1.5 O=C1NCCCC[C@H]1N Amb10608775 [0,0,0,1,0,0|2,0,0]=3 1778 B9R1.5 O=C1NCCSC[C@@H]1N Amb10067826 [0,0,0,1,0,0|3,0,0]=4 1779 B9R1.5 O=C1OCCCCC1Br Amb24725884 [0,0,0,1,0,0|2,0,0]=3 1780 B9R1.5 OC1CCCCCC1=O Amb25284997 [0,0,0,1,0,0|3,0,0]=4 1781 B9R1.5 OC1CCSCCC1O Amb25261389 [0,0,0,1,0,0|2,0,1]=4 1782 B9R1.6 CC(=C)C1CCCCN1 Amb23536631 [0,0,0,1,0,0|3,0,0]=4 1783 B9R1.6 CC(=O)C1CCC=CN1 Amb25094747 [0,0,0,1,0,0|2,0,1]=4 1784 B9R1.6 CC(=O)C1CCCCN1 Amb21962174 [0,0,0,1,0,0|2,0,0]=3 1785 B9R1.6 CC(=O)C1CCCCO1 Amb23585662 [0,0,0,1,0,0|3,0,0]=4 1786 B9R1.6 CC(=O)C1CCCCS1 Amb23568664 [0,0,0,1,0,0|3,0,0]=4 1787 B9R1.6 CC(=O)C1CCNCC1 Amb10603454 [0,0,0,1,0,0|3,0,0]=4 1788 B9R1.6 CC(=O)C1CCNCC1 Amb19958038 [0,0,0,1,0,0|3,0,0]=4 1789 B9R1.6 CC(=O)C1CCOCC1 Amb16231304 [0,0,0,1,0,0|2,1,0]=4 1790 B9R1.6 CC(=O)C1CCSCC1 Amb24748894 [0,0,0,1,0,0|2,0,0]=3 1791 B9R1.6 CC(=O)C1COCCN1 Amb24761214 [0,0,0,1,0,0|3,0,0]=4 1792 B9R1.6 CC(=O)C1CSCCN1 Amb25305093 [0,0,0,1,0,0|3,0,0]=4 1793 B9R1.6 CC(=O)N1CCSCC1 Amb25794047 [0,0,0,1,0,0|3,0,0]=4 1794 B9R1.6 CC(=O)[C@H]1CCCCN1 Amb25072730 [0,0,0,1,0,0|2,0,0]=3 1795 B9R1.6 CC(O)C1CCCCN1 Amb18642713 [0,0,0,1,0,0|2,0,1]=4 1796 B9R1.6 C[C@H](O)[C@@H]1CCCCN1 Amb25260768 [0,0,0,1,0,0|2,0,1]=4 1797 B9R1.6 ClC(=O)C1CCNCC1 Amb17142870 [0,0,0,1,0,0|3,0,0]=4 1798 B9R1.6 NC(=N)C1CCCCN1 Amb24659758 [0,0,0,1,0,0|3,0,0]=4 1799 B9R1.6 NC(=O)C1CC=CCN1 Amb25709606 [0,0,0,1,0,0|2,0,1]=4 1800 B9R1.6 NC(=O)C1CCCCN1 Amb2370929 [0,0,0,1,0,0|2,0,0]=3 1801 B9R1.6 NC(=O)C1CCNCC1 Amb21957241 [0,0,0,1,0,0|3,0,0]=4 1802 B9R1.6 NC(=O)C1CCSCN1 Amb25264861 [0,0,0,1,0,0|1,0,0]=2 1803 B9R1.6 NC(=O)C1CNCCN1 Amb1158016 [0,0,0,1,0,0|3,0,0]=4 1804 B9R1.6 NC(=O)C1COCCN1 Amb22059486 [0,0,0,1,0,0|3,0,0]=4 1805 B9R1.6 NC(=O)[C@@H]1CCCCN1 Amb25315367 [0,0,0,1,0,0|2,0,0]=3 1806 B9R1.6 NC(=O)[C@@H]1CNCCN1 Amb24183728 [0,0,0,1,0,0|3,0,0]=4 1807 B9R1.6 NC(=O)[C@@H]1COCCN1 Amb24712516 [0,0,0,1,0,0|3,0,0]=4 1808 B9R1.6 NC(=S)C1CCCCN1 Amb19148045 [0,0,0,1,0,0|2,1,0]=4 1809 B9R1.6 O=C(Cl)C1CCCCN1 Amb24061326 [0,0,0,1,0,0|2,0,0]=3 1810 B9R1.6 O=C(Cl)C1COCCN1 Amb24738488 [0,0,0,1,0,0|3,0,0]=4 1811 B9R1.6 O=C(Cl)N1CCSCC1 Amb25328755 [0,0,0,1,0,0|3,0,0]=4 1812 B9R1.6 O=C(Cl)[C@@H]1CCCCN1 Amb24548250 [0,0,0,1,0,0|2,0,0]=3 1813 B9R1.6 O=C(Cl)[C@H]1CCCCN1 Amb24560223 [0,0,0,1,0,0|2,0,0]=3 1814 B9R1.6 O=C(Cl)[C@H]1CCCCO1 Amb24478586 [0,0,0,1,0,0|3,0,0]=4 1815 B9R1.6 OC(=O)C1=CCCCN1 Amb23585365 [0,0,0,1,0,0|1,0,2]=4 1816 B9R1.6 OC(=O)C1=CCNCC1 Amb10843904 [0,0,0,1,0,0|2,0,1]=4 1817 B9R1.6 OC(=O)C1C=CCCN1 Amb25145978 [0,0,0,1,0,0|1,0,2]=4 1818 B9R1.6 OC(=O)C1CC=CCO1 Amb18642584 [0,0,0,1,0,0|2,0,1]=4 1819 B9R1.6 OC(=O)C1CC=NCC1 Amb24340500 [0,0,0,1,0,0|2,0,1]=4 1820 B9R1.6 OC(=O)C1CCC=CN1 Amb24640071 [0,0,0,1,0,0|1,0,1]=3 1821 B9R1.6 OC(=O)C1CCC=CO1 Amb10071565 [0,0,0,1,0,0|2,0,1]=4 1822 B9R1.6 OC(=O)C1CCCC=C1 Amb18642396 [0,0,0,1,0,0|2,0,1]=4 1823 B9R1.6 OC(=O)C1CCCC=N1 Amb24346763 [0,0,0,1,0,0|1,0,2]=4 1824 B9R1.6 OC(=O)C1CCCCS1 Amb18202314 [0,0,0,1,0,0|2,0,0]=3 1825 B9R1.6 OC(=O)C1CCCNC1 Amb1151304 [0,0,0,1,0,0|3,0,0]=4 1826 B9R1.6 OC(=O)C1CCCNO1 Amb24672392 [0,0,0,1,0,0|3,0,0]=4 1827 B9R1.6 OC(=O)C1CCCOC1 Amb1102367 [0,0,0,1,0,0|3,0,0]=4 1828 B9R1.6 OC(=O)C1CCCSS1 Amb24480090 [0,0,0,1,0,0|3,0,0]=4 1829 B9R1.6 OC(=O)C1CCSCN1 Amb1102215 [0,0,0,1,0,0|0,0,0]=1 1830 B9R1.6 OC(=O)C1CCSCN1 Amb22284134 [0,0,0,1,0,0|0,0,0]=1 1831 B9R1.6 OC(=O)C1CNCCN1 Amb22490901 [0,0,0,1,0,0|2,0,0]=3 1832 B9R1.6 OC(=O)C1CNCCN1 Amb22490977 [0,0,0,1,0,0|2,0,0]=3 1833 B9R1.6 OC(=O)C1CNCCO1 Amb16232076 [0,0,0,1,0,0|3,0,0]=4 1834 B9R1.6 OC(=O)C1COCCN1 Amb10607157 [0,0,0,1,0,0|2,0,0]=3 1835 B9R1.6 OC(=O)C1CSCCC1 Amb18202321 [0,0,0,1,0,0|3,0,0]=4 1836 B9R1.6 OC(=O)C1CSCCN1 Amb19888398 [0,0,0,1,0,0|2,0,0]=3 1837 B9R1.6 OC(=O)C1CSCCO1 Amb25241709 [0,0,0,1,0,0|3,0,0]=4 1838 B9R1.6 OC(=O)C1CSCCS1 Amb20622962 [0,0,0,1,0,0|3,0,0]=4 1839 B9R1.6 OC(=O)C1CSSSC1 Amb25138675 [0,0,0,1,0,0|3,0,0]=4 1840 B9R1.6 OC(=O)C1NCCCS1 Amb22899084 [0,0,0,1,0,0|2,0,0]=3 1841 B9R1.6 OC(=O)C1OCCCO1 Amb24715581 [0,0,0,1,0,0|3,0,0]=4 1842 B9R1.6 OC(=O)C1SCCCS1 Amb22167283 [0,0,0,1,0,0|3,0,0]=4 1843 B9R1.6 OC(=O)C1SCSCS1 Amb1233865 [0,0,0,1,0,0|2,0,0]=3 1844 B9R1.6 OC(=O)C=1CCCCN1 Amb24597785 [0,0,0,1,0,0|1,0,2]=4 1845 B9R1.6 OC(=O)C=1CCOCC1 Amb18642574 [0,0,0,1,0,0|1,1,1]=4 1846 B9R1.6 OC(=O)C=1NCCCN1 Amb25379456 [0,0,0,1,0,0|2,0,1]=4 1847 B9R1.6 OC(=O)N1CCCCC1 Amb20242677 [0,0,0,1,0,0|3,0,0]=4 1848 B9R1.6 OC(=O)N1CCNCC1 Amb20621990 [0,0,0,1,0,0|3,0,0]=4 1849 B9R1.6 OC(=O)N1CCOCC1 Amb22491154 [0,0,0,1,0,0|2,1,0]=4 1850 B9R1.6 OC(=O)N1CCSCC1 Amb24099831 [0,0,0,1,0,0|2,0,0]=3 1851 B9R1.6 OC(=O)[C@@H]1CC=CCC1 Amb19131346 [0,0,0,1,0,0|2,0,1]=4 1852 B9R1.6 OC(=O)[C@@H]1CCC=CC1 Amb17611453 [0,0,0,1,0,0|2,0,1]=4 1853 B9R1.6 OC(=O)[C@@H]1CCC=CN1 Amb19888332 [0,0,0,1,0,0|1,0,1]=3 1854 B9R1.6 OC(=O)[C@@H]1CCCC=N1 Amb25349486 [0,0,0,1,0,0|1,0,2]=4 1855 B9R1.6 OC(=O)[C@@H]1CCCCO1 Amb22746821 [0,0,0,1,0,0|2,0,0]=3 1856 B9R1.6 OC(=O)[C@@H]1CCCNC1 Amb16232354 [0,0,0,1,0,0|3,0,0]=4 1857 B9R1.6 OC(=O)[C@@H]1CCCNN1 Amb22747164 [0,0,0,1,0,0|2,0,0]=3 1858 B9R1.6 OC(=O)[C@@H]1CCSCN1 Amb24465168 [0,0,0,1,0,0|0,0,0]=1 1859 B9R1.6 OC(=O)[C@@H]1CNCCN1 Amb22748956 [0,0,0,1,0,0|2,0,0]=3 1860 B9R1.6 OC(=O)[C@@H]1CNCCO1 Amb22737231 [0,0,0,1,0,0|3,0,0]=4 1861 B9R1.6 OC(=O)[C@@H]1COCCC1 Amb24118033 [0,0,0,1,0,0|3,0,0]=4 1862 B9R1.6 OC(=O)[C@@H]1COCCN1 Amb10576585 [0,0,0,1,0,0|2,0,0]=3 1863 B9R1.6 OC(=O)[C@@H]1COCCO1 Amb23438856 [0,0,0,1,0,0|3,0,0]=4 1864 B9R1.6 OC(=O)[C@@H]1CSCCN1 Amb22386830 [0,0,0,1,0,0|2,0,0]=3 1865 B9R1.6 OC(=O)[C@H]1CC=CCN1 Amb25757299 [0,0,0,1,0,0|1,0,1]=3 1866 B9R1.6 OC(=O)[C@H]1CC=CCO1 Amb24455780 [0,0,0,1,0,0|2,0,1]=4 1867 B9R1.6 OC(=O)[C@H]1CCSCN1 Amb25773953 [0,0,0,1,0,0|0,0,0]=1 1868 B9R1.6 OC(=O)[C@H]1CNCCN1 Amb20241207 [0,0,0,1,0,0|2,0,0]=3 1869 B9R1.6 OC(=O)[C@H]1CNCCO1 Amb10067023 [0,0,0,1,0,0|3,0,0]=4 1870 B9R1.6 OC(=O)[C@H]1CNCCO1 Amb22737232 [0,0,0,1,0,0|3,0,0]=4 1871 B9R1.6 OC(=O)[C@H]1COCCN1 Amb16232575 [0,0,0,1,0,0|2,0,0]=3 1872 B9R1.6 OP(=O)C1CCCCC1 Amb25327219 [0,0,0,1,0,0|3,0,0]=4 1873 B9R1.6 OP(=O)C1CCNCC1 Amb25315171 [0,0,0,1,0,0|3,0,0]=4 1874 B9R1.6 OS(=O)C1CCCCC1 Amb24603074 [0,0,0,1,0,0|3,0,0]=4 1875 B9R1.6 OS(=O)C1CCOCC1 Amb25026369 [0,0,0,1,0,0|2,1,0]=4 1876 B9R1.6 O[13C](=O)C1CCCCN1 Amb22363349 [0,0,0,1,0,0|1,0,0]=2 1877 B9R1.23 C=C[C@@H]1C[C@@H](O)C(=O)O1 Amb24519791 [0,0,0,1,0,0|2,0,1]=4 1878 B9R1.23 CC1CC(CC)NC1=O Amb20623299 [0,0,0,1,0,0|3,0,0]=4 1879 B9R1.23 CC1CC(CCl)OC1=O Amb25090247 [0,0,0,1,0,0|3,0,0]=4 1880 B9R1.23 CC1CC(CN)OC1=O Amb24480327 [0,0,0,1,0,0|3,0,0]=4 1881 B9R1.23 CC1CC(CO)OC1=O Amb24371209 [0,0,0,1,0,0|3,0,0]=4 1882 B9R1.23 CC1CC(NC1=O)OC Amb24545577 [0,0,0,1,0,0|2,1,0]=4 1883 B9R1.23 CC1C[C@@H](C=O)OC1=O Amb24389171 [0,0,0,1,0,0|3,0,0]=4 1884 B9R1.23 CCC1CC(Br)C(=O)O1 Amb25839843 [0,0,0,1,0,0|2,0,0]=3 1885 B9R1.23 CCC1CC(O)C(=O)N1 Amb24426760 [0,0,0,1,0,0|3,0,0]=4 1886 B9R1.23 CC[C@@H]1C[C@H](N)C(=O)O1 Amb25163624 [0,0,0,1,0,0|1,0,0]=2 1887 B9R1.23 CC[C@@H]1OC(=O)[C@H](F)S1 Amb25054175 [0,0,0,1,0,0|3,0,0]=4 1888 B9R1.23 CC[C@H]1OC(=O)[C@@H](F)S1 Amb24514953 [0,0,0,1,0,0|3,0,0]=4 1889 B9R1.23 C[C@@H]1C[C@@H](CBr)OC1=O Amb25323016 [0,0,0,1,0,0|3,0,0]=4 1890 B9R1.23 C[C@@H]1C[C@@H](CO)OC1=O Amb24612854 [0,0,0,1,0,0|3,0,0]=4 1891 B9R1.23 C[C@@H]1C[C@H](CO)OC1=O Amb24672472 [0,0,0,1,0,0|3,0,0]=4 1892 B9R1.23 C[C@H]1CC(CO)OC1=O Amb25078626 [0,0,0,1,0,0|3,0,0]=4 1893 B9R1.23 C[C@H]1C[C@@H](C=O)OC1=O Amb24587323 [0,0,0,1,0,0|3,0,0]=4 1894 B9R1.23 C[C@H]1C[C@@H](CBr)OC1=O Amb24597367 [0,0,0,1,0,0|3,0,0]=4 1895 B9R1.23 C[C@H]1C[C@@H](CN)OC1=O Amb25326754 [0,0,0,1,0,0|3,0,0]=4 1896 B9R1.23 ClCC1CC(Cl)C(=O)O1 Amb17940400 [0,0,0,1,0,0|3,0,0]=4 1897 B9R1.23 NC1CC(CF)NC1=O Amb25716850 [0,0,0,1,0,0|3,0,0]=4 1898 B9R1.23 NC1CC(CO)NC1=O Amb25124342 [0,0,0,1,0,0|3,0,0]=4 1899 B9R1.23 NC1CC(CO)OC1=O Amb18642829 [0,0,0,1,0,0|2,0,0]=3 1900 B9R1.23 NCC1CC(Br)C(=O)O1 Amb25272231 [0,0,0,1,0,0|3,0,0]=4 1901 B9R1.23 N[C@@H]1C[C@@H](CO)NC1=O Amb24645846 [0,0,0,1,0,0|3,0,0]=4 1902 B9R1.23 N[C@@H]1C[C@@H](CO)OC1=O Amb25327262 [0,0,0,1,0,0|2,0,0]=3 1903 B9R1.23 N[C@H]1CC(CO)OC1=O Amb25771995 [0,0,0,1,0,0|2,0,0]=3 1904 B9R1.23 N[C@H]1C[C@@H](CO)NC1=O Amb24561327 [0,0,0,1,0,0|3,0,0]=4 1905 B9R1.23 N[C@H]1C[C@H](CO)OC1=O Amb24567157 [0,0,0,1,0,0|2,0,0]=3 1906 B9R1.23 O=C1OC(CBr)CC1Cl Amb24654717 [0,0,0,1,0,0|3,0,0]=4 1907 B9R1.23 O=C1OC(CI)CC1F Amb24412098 [0,0,0,1,0,0|3,0,0]=4 1908 B9R1.23 O=C1O[C@H](C[C@@H]1Cl)CCl Amb24580694 [0,0,0,1,0,0|3,0,0]=4 1909 B9R1.23 O=C1O[C@H](C[C@H]1Cl)CCl Amb24515094 [0,0,0,1,0,0|3,0,0]=4 1910 B9R1.23 O[C@@H]1C[C@H](CCl)OC1=O Amb25213067 [0,0,0,1,0,0|3,0,0]=4 1911 B9R1.23 O[C@@H]1C[C@H](CO)OC1=O Amb25324131 [0,0,0,1,0,0|3,0,0]=4 1912 B9R1.35 CC(=O)C1CCC(=O)N1 Amb24432249 [0,0,0,1,0,0|3,0,0]=4 1913 B9R1.35 CC1=CC(SC1)C(=O)O Amb10809142 [0,0,0,1,0,0|3,0,0]=4 1914 B9R1.35 CC1=NC(CO1)C(O)=O Amb20621597 [0,0,0,1,0,0|2,0,1]=4 1915 B9R1.35 CC1=NC(CS1)C(O)=O Amb18124720 [0,0,0,1,0,0|2,0,1]=4 1916 B9R1.35 CC1CC(CC1)C(N)=O Amb24763749 [0,0,0,1,0,0|3,0,0]=4 1917 B9R1.35 CC1CC(CC1)C(O)=O Amb18642624 [0,0,0,1,0,0|2,0,0]=3 1918 B9R1.35 CC1CC(CN1)C(O)=O Amb18832566 [0,0,0,1,0,0|3,0,0]=4 1919 B9R1.35 CC1CCC(=C1)C(O)=O Amb18642397 [0,0,0,1,0,0|2,0,1]=4 1920 B9R1.35 CC1CCC(C1)C(C)=O Amb25077503 [0,0,0,1,0,0|3,0,0]=4 1921 B9R1.35 CC1CCC(N1)C(N)=O Amb18642667 [0,0,0,1,0,0|2,0,0]=3 1922 B9R1.35 CC1CCC(N1)C(O)=O Amb18832572 [0,0,0,1,0,0|1,0,0]=2 1923 B9R1.35 CC1CCC(O1)C(=O)O Amb17593370 [0,0,0,1,0,0|2,0,0]=3 1924 B9R1.35 CC1CCC(O1)C(C)=O Amb24580538 [0,0,0,1,0,0|3,0,0]=4 1925 B9R1.35 CC1CCC(S1)C(O)=O Amb25719281 [0,0,0,1,0,0|2,0,0]=3 1926 B9R1.35 CC1CCC([NH2+]1)C(O)=O Amb22372047 [0,0,0,1,0,0|1,0,1]=3 1927 B9R1.35 CC1CC[C@@H](N1)C(O)=O Amb22748252 [0,0,0,1,0,0|1,0,0]=2 1928 B9R1.35 CC1CC[C@H](N1)C(N)=O Amb24696154 [0,0,0,1,0,0|2,0,0]=3 1929 B9R1.35 CC1CNC(O1)C(O)=O Amb25737834 [0,0,0,1,0,0|3,0,0]=4 1930 B9R1.35 CC1CSC(S1)C(O)=O Amb24608602 [0,0,0,1,0,0|3,0,0]=4 1931 B9R1.35 CC1N[C@@H](CS1)C(=O)O Amb16203706 [0,0,0,1,0,0|2,0,0]=3 1932 B9R1.35 CC=1CC(CC1)C(O)=O Amb18642425 [0,0,0,1,0,0|2,0,1]=4 1933 B9R1.35 CC=1CCC(N1)C(O)=O Amb23438203 [0,0,0,1,0,0|1,0,1]=3 1934 B9R1.35 CC=1CCC([NH+]1)C(O)=O Amb22372048 [0,0,0,1,0,0|1,0,1]=3 1935 B9R1.35 CC=1C[C@H](CC1)C(O)=O Amb24350803 [0,0,0,1,0,0|2,0,1]=4 1936 B9R1.35 CC=1NC(CN1)C(O)=O Amb24599993 [0,0,0,1,0,0|2,0,0]=3 1937 B9R1.35 CN1C=CC(N1)C(O)=O Amb25308949 [0,0,0,1,0,0|1,0,2]=4 1938 B9R1.35 CN1CC(CC1)C(N)=O Amb25144200 [0,0,0,1,0,0|3,0,0]=4 1939 B9R1.35 CN1CCC(N1)C(O)=O Amb25854311 [0,0,0,1,0,0|1,0,0]=2 1940 B9R1.35 CN1C[C@@H](CC1)C(O)=O Amb22746030 [0,0,0,1,0,0|2,0,0]=3 1941 B9R1.35 CN1C[C@@H](CC1)C(O)=O Amb22756448 [0,0,0,1,0,0|2,0,0]=3 1942 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O Amb10843961 [0,0,0,1,0,0|2,0,0]=3 1943 B9R1.35 C[C@@H]1CC[C@@H](N1)C(N)=O Amb24572556 [0,0,0,1,0,0|2,0,0]=3 1944 B9R1.35 C[C@@H]1CC[C@@H](N1)C(O)=O Amb24399449 [0,0,0,1,0,0|1,0,0]=2 1945 B9R1.35 C[C@@H]1CC[C@@H](O1)C(O)=O Amb22886534 [0,0,0,1,0,0|2,0,0]=3 1946 B9R1.35 C[C@@H]1C[C@@H](NC1)C(O)=O Amb19887682 [0,0,0,1,0,0|3,0,0]=4 1947 B9R1.35 C[C@@H]1C[C@@H](NC1)C(O)=O Amb23439040 [0,0,0,1,0,0|3,0,0]=4 1948 B9R1.35 C[C@@H]1C[C@H](NC1)C(O)=O Amb22008683 [0,0,0,1,0,0|3,0,0]=4 1949 B9R1.35 C[C@@H]1C[C@H](NC1)C(O)=O Amb22752452 [0,0,0,1,0,0|3,0,0]=4 1950 B9R1.35 C[C@@H]1N[C@H](CS1)C(O)=O Amb25294278 [0,0,0,1,0,0|2,0,0]=3 1951 B9R1.35 C[C@H]1CC[C@@H](N1)C(O)=O Amb25260830 [0,0,0,1,0,0|1,0,0]=2 1952 B9R1.35 C[C@H]1CC[C@H](C1)C(=O)O Amb10843955 [0,0,0,1,0,0|2,0,0]=3 1953 B9R1.35 C[C@H]1CC[C@H](N1)C(O)=O Amb24598417 [0,0,0,1,0,0|1,0,0]=2 1954 B9R1.35 C[C@H]1CC[C@H](O1)C(O)=O Amb24651587 [0,0,0,1,0,0|2,0,0]=3 1955 B9R1.35 C[C@H]1C[C@@H](CC1)C(N)=O Amb24612116 [0,0,0,1,0,0|3,0,0]=4 1956 B9R1.35 C[C@H]1C[C@@H](NC1)C(O)=O Amb24752952 [0,0,0,1,0,0|3,0,0]=4 1957 B9R1.35 C[C@H]1C[C@H](CN1)C(O)=O Amb24715999 [0,0,0,1,0,0|3,0,0]=4 1958 B9R1.35 C[C@H]1C[C@H](NC1)C(O)=O Amb19888348 [0,0,0,1,0,0|3,0,0]=4 1959 B9R1.35 C[C@H]1N[C@@H](CS1)C(O)=O Amb25347352 [0,0,0,1,0,0|2,0,0]=3 1960 B9R1.35 C[C@H]1O[C@H](CS1)C(O)=O Amb24625718 [0,0,0,1,0,0|3,0,0]=4 1961 B9R1.35 N=C1CCC(N1)C(O)=O Amb18642592 [0,0,0,1,0,0|2,0,0]=3 1962 B9R1.35 NC1CCC(C1)C(=O)O Amb10066880 [0,0,0,1,0,0|3,0,0]=4 1963 B9R1.35 NC1NC(CS1)C(O)=O Amb25703132 [0,0,0,1,0,0|3,0,0]=4 1964 B9R1.35 NC=1CC[C@H](N1)C(O)=O Amb25346757 [0,0,0,1,0,0|2,0,1]=4 1965 B9R1.35 N[C@@H]1CC(CC1)C(O)=O Amb25700807 [0,0,0,1,0,0|3,0,0]=4 1966 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O Amb10066881 [0,0,0,1,0,0|3,0,0]=4 1967 B9R1.35 N[C@@H]1C[C@@H](CC1)C(O)=O Amb22746692 [0,0,0,1,0,0|3,0,0]=4 1968 B9R1.35 N[C@@H]1C[C@H](CC1)C(O)=O Amb22756038 [0,0,0,1,0,0|3,0,0]=4 1969 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O Amb10066883 [0,0,0,1,0,0|3,0,0]=4 1970 B9R1.35 O=C1CCC(N1)C(=O)Cl Amb17142869 [0,0,0,1,0,0|3,0,0]=4 1971 B9R1.35 O=C1CCC(N1)C(=O)N Amb17142856 [0,0,0,1,0,0|3,0,0]=4 1972 B9R1.35 O=C1CC[C@@H](N1)C(=O)Cl Amb24746659 [0,0,0,1,0,0|3,0,0]=4 1973 B9R1.35 O=C1CC[C@H](N1)C(=O)O Amb1995036 [0,0,0,1,0,0|2,0,0]=3 1974 B9R1.35 O=C1OCC(N1)C(=O)O Amb15701690 [0,0,0,1,0,0|3,0,0]=4 1975 B9R1.35 O=C1SC[C@H](N1)C(=O)O Amb1157856 [0,0,0,1,0,0|3,0,0]=4 1976 B9R1.35 OC(=O)C1CCC(=O)N1 Amb22282321 [0,0,0,1,0,0|2,0,0]=3 1977 B9R1.35 OC(=O)C1CCC(=O)O1 Amb20623076 [0,0,0,1,0,0|3,0,0]=4 1978 B9R1.35 OC(=O)C1CCC(=O)S1 Amb23439315 [0,0,0,1,0,0|3,0,0]=4 1979 B9R1.35 OC(=O)C1CCC(=S)N1 Amb24477679 [0,0,0,1,0,0|2,0,0]=3 1980 B9R1.35 OC(=O)C1CCC(F)C1 Amb22886545 [0,0,0,1,0,0|3,0,0]=4 1981 B9R1.35 OC(=O)C1CCC(F)N1 Amb24423850 [0,0,0,1,0,0|2,0,0]=3 1982 B9R1.35 OC(=O)C1CCC(I)C1 Amb23456141 [0,0,0,1,0,0|3,0,0]=4 1983 B9R1.35 OC(=O)C1COC(=O)N1 Amb24288785 [0,0,0,1,0,0|3,0,0]=4 1984 B9R1.35 OC(=O)[C@@H]1CC(=O)CC1 Amb22746923 [0,0,0,1,0,0|3,0,0]=4 1985 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 Amb24099403 [0,0,0,1,0,0|2,0,0]=3 1986 B9R1.35 OC(=O)[C@@H]1CCC(F)N1 Amb25032254 [0,0,0,1,0,0|2,0,0]=3 1987 B9R1.35 OC(=O)[C@@H]1COC(=O)N1 Amb19517080 [0,0,0,1,0,0|3,0,0]=4 1988 B9R1.35 OC(=O)[C@H]1CNC(=O)N1 Amb24079612 [0,0,0,1,0,0|3,0,0]=4 1989 B9R1.35 OC(=O)[C@H]1COC(=O)N1 Amb24340149 [0,0,0,1,0,0|3,0,0]=4 1990 B9R1.35 OC1CCC(C1)C(O)=O Amb21963572 [0,0,0,1,0,0|3,0,0]=4 1991 B9R1.35 OC1NC(CS1)C(O)=O Amb25759113 [0,0,0,1,0,0|3,0,0]=4 1992 B9R1.35 O[13C](=O)[13CH]1[13CH2]SC(=S)N1 Amb17620633 [0,0,0,1,0,0|3,0,0]=4 1993 B9R1.35 O[C@@H]1CC[C@@H](C1)C(O)=O Amb22746073 [0,0,0,1,0,0|3,0,0]=4 1994 B9R1.35 O[C@@H]1CC[C@H](C1)C(O)=O Amb22746558 [0,0,0,1,0,0|3,0,0]=4 1995 B9R1.35 O[C@@H]1CC[C@H](N1)C(O)=O Amb24515622 [0,0,0,1,0,0|2,0,0]=3 1996 B9R1.39 COCCC1NCC1=O Amb24481968 [0,0,0,1,0,0|1,1,0]=3 1997 B9R1.40 CC1(O)CCCCC1N Amb25709525 [0,0,0,1,0,0|2,0,1]=4 1998 B9R1.40 CC1(O)COCCC1N Amb24480311 [0,0,0,1,0,0|1,1,1]=4 1999 B9R1.40 C[C@@]1(O)CCCC[C@H]1N Amb24382560 [0,0,0,1,0,0|2,0,1]=4 2000 B9R1.40 C[C@]1(O)CCCC[C@@H]1N Amb25293517 [0,0,0,1,0,0|2,0,1]=4 2001 B9R1.40 C[C@]1(O)COCC[C@H]1N Amb24550283 [0,0,0,1,0,0|1,1,1]=4 2002 B9R1.40 NC1CCCCC1(N)O Amb25111965 [0,0,0,1,0,0|2,0,1]=4 2003 B9R1.40 NC1CCCOP1(O)=O Amb24664426 [0,0,0,1,0,0|3,0,0]=4 2004 B9R1.45 C=C1CC1C(N)C(O)=O Amb24117258 [0,0,0,1,0,0|1,0,1]=3 2005 B9R1.45 CC(C1CC1C)C(C)=O Amb24529060 [0,0,0,1,0,0|3,0,0]=4 2006 B9R1.45 CC(C1CC1C)C(O)=O Amb25708709 [0,0,0,1,0,0|2,0,0]=3 2007 B9R1.45 CC1CC1C(=O)C(O)=O Amb24760671 [0,0,0,1,0,0|2,0,1]=4 2008 B9R1.45 CC1CC1C(N)C(C)=C Amb24478683 [0,0,0,1,0,0|3,0,0]=4 2009 B9R1.45 NC([C@H]1C[C@@H]1N)C(O)=O Amb25245366 [0,0,0,1,0,0|2,0,0]=3 2010 B9R1.59 C#CCC1OC1C(O)=O Amb25042774 [0,0,0,1,0,0|2,0,1]=4 2011 B9R1.59 CCCC1=CC1C(O)=O Amb24701359 [0,0,0,1,0,0|2,0,1]=4 2012 B9R1.59 CCCC1CC1C(N)=O Amb24473639 [0,0,0,1,0,0|3,0,0]=4 2013 B9R1.59 CCCC1CC1C(O)=O Amb19001459 [0,0,0,1,0,0|2,0,0]=3 2014 B9R1.59 CCCC1OC1C(O)=O Amb24561183 [0,0,0,1,0,0|2,0,0]=3 2015 B9R1.59 CCC[C@@H]1C[C@H]1C(O)=O Amb25368727 [0,0,0,1,0,0|2,0,0]=3 2016 B9R1.59 CCC[C@@H]1O[C@H]1C(C)=O Amb24366229 [0,0,0,1,0,0|3,0,0]=4 2017 B9R1.59 CNC[C@@H]1C[C@H]1C(O)=O Amb24744378 [0,0,0,1,0,0|2,0,0]=3 2018 B9R1.59 OC(=O)[C@@H]1C[C@H]1CCBr Amb24519204 [0,0,0,1,0,0|3,0,0]=4 2019 B9R1.69 C=C1CC[C@@H](N)C(=O)O1 Amb24426847 [0,0,0,1,0,0|1,0,1]=3 2020 B9R1.69 CC1CC(=O)C(C)CC1 Amb22228357 [0,0,0,1,0,0|3,0,0]=4 2021 B9R1.69 CC1CC(=O)C(N)CC1 Amb25291675 [0,0,0,1,0,0|2,0,0]=3 2022 B9R1.69 CC1CCC(=O)C(=O)O1 Amb24621712 [0,0,0,1,0,0|2,0,1]=4 2023 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [0,0,0,1,0,0|3,0,0]=4 2024 B9R1.69 CC1CCC(C)NC1=O Amb25692572 [0,0,0,1,0,0|3,0,0]=4 2025 B9R1.69 CC1CCC(Cl)C(O)=C1 Amb25288245 [0,0,0,1,0,0|3,0,0]=4 2026 B9R1.69 CC1CCC(N)C(=O)O1 Amb24563967 [0,0,0,1,0,0|1,0,0]=2 2027 B9R1.69 CC1CCC(O)C(=O)N1 Amb24427022 [0,0,0,1,0,0|3,0,0]=4 2028 B9R1.69 CC1CCC(O)OC1=O Amb25306421 [0,0,0,1,0,0|3,0,0]=4 2029 B9R1.69 CC=1CCC(Cl)C(=O)C1 Amb25059200 [0,0,0,1,0,0|3,0,0]=4 2030 B9R1.69 CC=1CC[C@@H](O)C(=O)C1 Amb24422729 [0,0,0,1,0,0|3,0,0]=4 2031 B9R1.69 CC=1NCC(N)C(=O)N1 Amb20620296 [0,0,0,1,0,0|3,0,0]=4 2032 B9R1.69 CN1CC(O)C(N)CC1 Amb18832535 [0,0,0,1,0,0|2,0,1]=4 2033 B9R1.69 C[C@@H]1CC(=O)[C@@H](Br)CC1 Amb23592295 [0,0,0,1,0,0|3,0,0]=4 2034 B9R1.69 C[C@@H]1CC(=O)[C@@H](C)CC1 Amb24619935 [0,0,0,1,0,0|3,0,0]=4 2035 B9R1.69 C[C@@H]1CC(=O)[C@H](Cl)CC1 Amb24694008 [0,0,0,1,0,0|3,0,0]=4 2036 B9R1.69 C[C@@H]1CC[C@@H](N)[C@H](C)O1 Amb24514973 [0,0,0,1,0,0|2,0,1]=4 2037 B9R1.69 C[C@@H]1CC[C@@H](O)C(=O)N1 Amb25175096 [0,0,0,1,0,0|3,0,0]=4 2038 B9R1.69 C[C@H]1CC(=O)C(Br)CC1 Amb25774507 [0,0,0,1,0,0|3,0,0]=4 2039 B9R1.69 C[C@H]1CC(=O)C(F)CC1 Amb24690818 [0,0,0,1,0,0|3,0,0]=4 2040 B9R1.69 C[C@H]1CC(=O)[C@H](Br)CC1 Amb25366783 [0,0,0,1,0,0|3,0,0]=4 2041 B9R1.69 C[C@H]1CCC(N)C(=O)N1 Amb25378397 [0,0,0,1,0,0|2,0,0]=3 2042 B9R1.69 NC1CCC(=O)NC1=O Amb16233835 [0,0,0,1,0,0|3,0,0]=4 2043 B9R1.69 NC1CCC(=O)NC1=O Amb20620338 [0,0,0,1,0,0|3,0,0]=4 2044 B9R1.69 NC1CCC(=O)NC1=O Amb22640986 [0,0,0,1,0,0|3,0,0]=4 2045 B9R1.69 N[C@@H]1CCC(=O)NC1=O Amb18536900 [0,0,0,1,0,0|3,0,0]=4 2046 B9R1.69 N[C@H]1CCC(=O)NC1=O Amb17134710 [0,0,0,1,0,0|3,0,0]=4 2047 B9R1.69 N[C@H]1CCC(=O)OC1=O Amb24680533 [0,0,0,1,0,0|2,0,0]=3 2048 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [0,0,0,1,0,0|3,0,0]=4 2049 B9R1.69 O=C1CCC(Cl)C(=O)O1 Amb25060552 [0,0,0,1,0,0|3,0,0]=4 2050 B9R1.69 OC1CCC(=O)OC1=O Amb25728114 [0,0,0,1,0,0|3,0,0]=4 2051 B9R1.93 C#CC1CC1(N)C(O)=O Amb23456002 [0,0,0,1,0,0|1,0,1]=3 2052 B9R1.93 C=C[C@@H]1C[C@]1(N)C(O)=O Amb22744970 [0,0,0,1,0,0|1,0,1]=3 2053 B9R1.93 C=C[C@H]1C[C@]1(N)C(O)=O Amb25105090 [0,0,0,1,0,0|1,0,1]=3 2054 B9R1.93 CC1(CC1CN)C(O)=O Amb24550226 [0,0,0,1,0,0|3,0,0]=4 2055 B9R1.93 CC1(CC1CO)C(O)=O Amb24559345 [0,0,0,1,0,0|3,0,0]=4 2056 B9R1.93 CCC1CC1(C)C(C)=O Amb24443160 [0,0,0,1,0,0|3,0,0]=4 2057 B9R1.93 CCC1CC1(N)C(O)=O Amb24655862 [0,0,0,1,0,0|1,0,0]=2 2058 B9R1.93 CCC1OC1(C)C(O)=O Amb25843946 [0,0,0,1,0,0|3,0,0]=4 2059 B9R1.93 CC[C@@H]1CC1(N)C(O)=O Amb25104706 [0,0,0,1,0,0|1,0,0]=2 2060 B9R1.93 CC[C@@H]1C[C@@]1(C)C(C)=O Amb24564910 [0,0,0,1,0,0|3,0,0]=4 2061 B9R1.93 CC[C@@H]1C[C@@]1(N)C(O)=O Amb23452849 [0,0,0,1,0,0|1,0,0]=2 2062 B9R1.93 CC[C@@H]1C[C@@]1(O)C(O)=O Amb25377855 [0,0,0,1,0,0|2,0,0]=3 2063 B9R1.93 CC[C@@H]1C[C@]1(N)C(O)=O Amb23452884 [0,0,0,1,0,0|1,0,0]=2 2064 B9R1.93 C[C@]1(C[C@@H]1CN)C(O)=O Amb25339704 [0,0,0,1,0,0|3,0,0]=4 2065 B9R1.93 NC1(CC1C=C)C(=O)O Amb10068409 [0,0,0,1,0,0|1,0,1]=3 2066 B9R1.93 NC1(CC1CO)C(O)=O Amb25828351 [0,0,0,1,0,0|2,0,0]=3 2067 B9R1.93 NC[C@@H]1C[C@@]1(N)C(O)=O Amb24763621 [0,0,0,1,0,0|2,0,0]=3 2068 B9R1.93 N[C@@]1(C[C@H]1CO)C(O)=O Amb25101898 [0,0,0,1,0,0|2,0,0]=3 2069 B9R1.93 N[C@]1(C[C@@H]1CO)C(O)=O Amb24581240 [0,0,0,1,0,0|2,0,0]=3 2070 B9R1.93 OC(=O)C1(Cl)CC1CCl Amb24404084 [0,0,0,1,0,0|3,0,0]=4 2071 B9R1.95 CCC1CC(=C1)C(O)=O Amb25238748 [0,0,0,1,0,0|2,0,1]=4 2072 B9R1.95 CCC1CC(C1)C(=O)Cl Amb25791521 [0,0,0,1,0,0|3,0,0]=4 2073 B9R1.95 CCC1CC(C1)C(C)=O Amb25046444 [0,0,0,1,0,0|3,0,0]=4 2074 B9R1.95 CCC1CC(C1)C(N)=O Amb25690385 [0,0,0,1,0,0|3,0,0]=4 2075 B9R1.95 CCC1CC(C1)C(O)=O Amb23456004 [0,0,0,1,0,0|2,0,0]=3 2076 B9R1.95 CCN1CC(C1)C(O)=O Amb24117130 [0,0,0,1,0,0|3,0,0]=4 2077 B9R1.95 CC[C@@H]1C[C@@H](C1)C(O)=O Amb25129624 [0,0,0,1,0,0|2,0,0]=3 2078 B9R1.95 CNC1CC(C1)C(O)=O Amb20622656 [0,0,0,1,0,0|2,0,0]=3 2079 B9R1.95 COC1CC(C1)C(C)=O Amb24595933 [0,0,0,1,0,0|2,1,0]=4 2080 B9R1.95 CO[C@@H]1C[C@@H](C1)C(O)=O Amb23440276 [0,0,0,1,0,0|1,1,0]=3 2081 B9R1.95 CO[C@@H]1C[C@H](C1)C(O)=O Amb23440277 [0,0,0,1,0,0|1,1,0]=3 2082 B9R1.95 OC(=O)C1CC(CBr)C1 Amb19958667 [0,0,0,1,0,0|3,0,0]=4 2083 B9R1.95 OC(=O)[C@H]1C[C@@H](CBr)C1 Amb25116147 [0,0,0,1,0,0|3,0,0]=4 2084 B9R1.95 OCC1CC(C1)C(O)=O Amb22002175 [0,0,0,1,0,0|3,0,0]=4 2085 B9R1.95 OC[C@@H]1C[C@@H](N1)C(O)=O Amb24556421 [0,0,0,1,0,0|2,0,0]=3 2086 B9R1.100 CSCCC(N)C1CC1 Amb24414353 [0,0,0,1,0,0|2,0,1]=4 2087 B9R1.100 CSCCC(O)C1CO1 Amb24760175 [0,0,0,1,0,0|2,0,1]=4 2088 B9R1.110 CC(=C)C(N)C1CCC1 Amb25726126 [0,0,0,1,0,0|3,0,0]=4 2089 B9R1.110 CC(=O)C(N)C1CCC1 Amb25062195 [0,0,0,1,0,0|2,0,0]=3 2090 B9R1.110 CC(C(=O)O)C1CCC1 Amb17087517 [0,0,0,1,0,0|2,0,0]=3 2091 B9R1.110 CC(C(O)=O)N1CCC1 Amb24178905 [0,0,0,1,0,0|3,0,0]=4 2092 B9R1.110 CC(C)C(N)C1CSC1 Amb25364559 [0,0,0,1,0,0|2,0,1]=4 2093 B9R1.110 CC(C1CNC1)C(C)=O Amb24673466 [0,0,0,1,0,0|3,0,0]=4 2094 B9R1.110 CC(C1CSC1)C(O)=O Amb25200790 [0,0,0,1,0,0|1,0,0]=2 2095 B9R1.110 C[C@@H](C1CCC1)C(O)=O Amb22748271 [0,0,0,1,0,0|2,0,0]=3 2096 B9R1.110 C[C@@H](O)[C@@H](N)C1CCC1 Amb24514875 [0,0,0,1,0,0|2,0,1]=4 2097 B9R1.110 C[C@H](C1CCC1)C(O)=O Amb24360449 [0,0,0,1,0,0|2,0,0]=3 2098 B9R1.110 C[C@H](O)[C@H](N)C1CCC1 Amb25245251 [0,0,0,1,0,0|2,0,1]=4 2099 B9R1.110 NC(C1CCC1)C(O)=O Amb19149365 [0,0,0,1,0,0|1,0,0]=2 2100 B9R1.110 NC(C1CCC1)C(O)=O Amb21858491 [0,0,0,1,0,0|1,0,0]=2 2101 B9R1.110 NC(C1CCC1)P(O)=O Amb25721258 [0,0,0,1,0,0|2,0,0]=3 2102 B9R1.110 NC(C1CCO1)C(N)=O Amb25364480 [0,0,0,1,0,0|3,0,0]=4 2103 B9R1.110 NC(C1COC1)C(O)=O Amb22405987 [0,0,0,1,0,0|0,1,0]=2 2104 B9R1.110 NC(C1CSC1)C(N)=O Amb25287406 [0,0,0,1,0,0|1,0,0]=2 2105 B9R1.110 N[C@@H](C1CCC1)C(N)=O Amb24476623 [0,0,0,1,0,0|2,0,0]=3 2106 B9R1.110 N[C@@H](C1COC1)C(O)=O Amb22737551 [0,0,0,1,0,0|0,1,0]=2 2107 B9R1.110 N[C@H](C(O)=O)C=1CCC1 Amb25680165 [0,0,0,1,0,0|1,0,2]=4 2108 B9R1.110 N[C@H](C1COC1)C(O)=O Amb22737550 [0,0,0,1,0,0|0,1,0]=2 2109 B9R1.110 O=C(Cl)C(Br)C1CCC1 Amb24598080 [0,0,0,1,0,0|3,0,0]=4 2110 B9R1.110 O=C(Cl)C(Cl)C1CCC1 Amb25362548 [0,0,0,1,0,0|3,0,0]=4 2111 B9R1.110 OC(=O)C(=O)C1CCC1 Amb19958875 [0,0,0,1,0,0|2,0,1]=4 2112 B9R1.110 OC(=O)C(F)C1CNC1 Amb25110697 [0,0,0,1,0,0|2,0,0]=3 2113 B9R1.110 OC(C1CCC1)C(O)=O Amb24426901 [0,0,0,1,0,0|2,0,0]=3 2114 B9R1.110 OC(C1CNC1)C(O)=O Amb24339989 [0,0,0,1,0,0|2,0,0]=3 2115 B9R1.110 OC(C1CSC1)C(O)=O Amb24759238 [0,0,0,1,0,0|1,0,0]=2 2116 B9R1.112 C=C(CC1CC1)C(O)=O Amb24700361 [0,0,0,1,0,0|2,0,1]=4 2117 B9R1.112 CC(CC1CC1)C(C)=O Amb25188950 [0,0,0,1,0,0|3,0,0]=4 2118 B9R1.112 CC(SC1CC1)C(O)=O Amb25337757 [0,0,0,1,0,0|3,0,0]=4 2119 B9R1.112 C[C@@H](NC1CC1)C(O)=O Amb24398132 [0,0,0,1,0,0|3,0,0]=4 2120 B9R1.112 NC(CC1CC1)C(N)=O Amb25767604 [0,0,0,1,0,0|2,0,0]=3 2121 B9R1.112 NC(CC1CC1)C(O)=O Amb23399727 [0,0,0,1,0,0|1,0,0]=2 2122 B9R1.112 NC(CC1CO1)C(O)=O Amb25800055 [0,0,0,1,0,0|0,1,0]=2 2123 B9R1.112 N[C@@H](CC1CC1)C(N)=O Amb25317927 [0,0,0,1,0,0|2,0,0]=3 2124 B9R1.112 N[C@@H](CC1CC1)C(O)=O Amb24329024 [0,0,0,1,0,0|1,0,0]=2 2125 B9R1.112 N[C@@H](CC1CO1)C(O)=O Amb25709170 [0,0,0,1,0,0|0,1,0]=2 2126 B9R1.112 N[C@H](CC1CC1)C(N)=O Amb24410138 [0,0,0,1,0,0|2,0,0]=3 2127 B9R1.112 OC(=O)C(=O)CC1CC1 Amb18988329 [0,0,0,1,0,0|2,0,1]=4 2128 B9R1.112 OC(=O)C(S)CC1CC1 Amb18296302 [0,0,0,1,0,0|2,0,0]=3 2129 B9R1.112 OC(=O)[C@H](Br)CC1CC1 Amb24480301 [0,0,0,1,0,0|2,0,0]=3 2130 B9R1.112 OC(CC1CC1)C(O)=O Amb25082516 [0,0,0,1,0,0|2,0,0]=3 2131 B9R1.112 O[C@@H](CC1CC1)C(O)=O Amb23401512 [0,0,0,1,0,0|2,0,0]=3 2132 B9R1.135 COCC1NC(=O)C1O Amb25102634 [0,0,0,1,0,0|2,1,0]=4 2133 B9R1.159 CC1CCC1(N)C(N)=O Amb24391671 [0,0,0,1,0,0|2,0,0]=3 2134 B9R1.159 CC1CCC1(N)C(O)=O Amb23456072 [0,0,0,1,0,0|1,0,0]=2 2135 B9R1.159 C[C@@H]1CC[C@]1(N)C(O)=O Amb24586126 [0,0,0,1,0,0|1,0,0]=2 2136 B9R1.159 C[C@H]1CC[C@@]1(C)C(O)=O Amb24575030 [0,0,0,1,0,0|2,0,0]=3 2137 B9R1.159 NC1(CCC1F)C(O)=O Amb25223441 [0,0,0,1,0,0|2,0,0]=3 2138 B9R1.159 N[C@@H]1CC[C@]1(N)C(O)=O Amb25233319 [0,0,0,1,0,0|2,0,0]=3 2139 B9R1.159 N[C@@]1(CC[C@H]1O)C(O)=O Amb25313173 [0,0,0,1,0,0|2,0,0]=3 2140 B9R1.159 OC1CCC1(O)C(O)=O Amb24477886 [0,0,0,1,0,0|3,0,0]=4 2141 B9R1.163 CC(=C)C1(O)CSCC1 Amb25188959 [0,0,0,1,0,0|3,0,0]=4 2142 B9R1.163 CC(=O)C1(C)CCCC1 Amb17593318 [0,0,0,1,0,0|3,0,0]=4 2143 B9R1.163 CC(=O)C1(C)CNCC1 Amb25698020 [0,0,0,1,0,0|3,0,0]=4 2144 B9R1.163 CC(=O)C1(N)CCCC1 Amb1091405 [0,0,0,1,0,0|2,0,0]=3 2145 B9R1.163 CC(=O)C1(N)CCCC1 Amb22283948 [0,0,0,1,0,0|2,0,0]=3 2146 B9R1.163 CC(=O)C1(N)COCC1 Amb24427660 [0,0,0,1,0,0|1,1,0]=3 2147 B9R1.163 CC(=O)C1(O)CCCC1 Amb17593345 [0,0,0,1,0,0|3,0,0]=4 2148 B9R1.163 CC(O)C1(N)CCCC1 Amb18832559 [0,0,0,1,0,0|2,0,1]=4 2149 B9R1.163 CC1(CCC=C1)C(O)=O Amb18642405 [0,0,0,1,0,0|2,0,1]=4 2150 B9R1.163 CC1(CCCC1)C(=O)Cl Amb24476587 [0,0,0,1,0,0|3,0,0]=4 2151 B9R1.163 CC1(CCCN1)C(O)=O Amb22587331 [0,0,0,1,0,0|3,0,0]=4 2152 B9R1.163 CC1(CCCS1)C(O)=O Amb20623191 [0,0,0,1,0,0|3,0,0]=4 2153 B9R1.163 CC1(CNCC1)C(O)=O Amb20634439 [0,0,0,1,0,0|2,0,0]=3 2154 B9R1.163 CC1(COCC1)C(N)=O Amb25821700 [0,0,0,1,0,0|2,1,0]=4 2155 B9R1.163 CC1(COCC1)C(O)=O Amb18280535 [0,0,0,1,0,0|1,1,0]=3 2156 B9R1.163 CC1(CSSC1)C(O)=O Amb24074557 [0,0,0,1,0,0|2,0,0]=3 2157 B9R1.163 C[C@@]1(CCCN1)C(O)=O Amb22406107 [0,0,0,1,0,0|3,0,0]=4 2158 B9R1.163 C[C@@]1(CCCO1)C(O)=O Amb24117235 [0,0,0,1,0,0|3,0,0]=4 2159 B9R1.163 C[C@]1(CCCN1)C(O)=O Amb22405952 [0,0,0,1,0,0|3,0,0]=4 2160 B9R1.163 C[C@]1(CNCC1)C(O)=O Amb24346794 [0,0,0,1,0,0|2,0,0]=3 2161 B9R1.163 NC(=N)C1(N)CCCC1 Amb25260496 [0,0,0,1,0,0|3,0,0]=4 2162 B9R1.163 NC(=O)C1(C)CSSC1 Amb10068414 [0,0,0,1,0,0|3,0,0]=4 2163 B9R1.163 NC(=O)C1(F)CNCC1 Amb24759688 [0,0,0,1,0,0|3,0,0]=4 2164 B9R1.163 NC(=O)C1(F)COCC1 Amb24705109 [0,0,0,1,0,0|2,1,0]=4 2165 B9R1.163 NC(=O)C1(N)CCCC1 Amb19265774 [0,0,0,1,0,0|2,0,0]=3 2166 B9R1.163 NC(=O)C1(N)COCC1 Amb25835775 [0,0,0,1,0,0|1,1,0]=3 2167 B9R1.163 NC(=O)C1(N)CSCC1 Amb18279185 [0,0,0,1,0,0|1,0,0]=2 2168 B9R1.163 NC(=O)C1(O)CCCC1 Amb24116816 [0,0,0,1,0,0|3,0,0]=4 2169 B9R1.163 NC(=O)C1(O)CNCC1 Amb23515119 [0,0,0,1,0,0|3,0,0]=4 2170 B9R1.163 NC(=O)C1(O)COCC1 Amb25325741 [0,0,0,1,0,0|2,1,0]=4 2171 B9R1.163 NC(=O)C1(O)CSCC1 Amb24116837 [0,0,0,1,0,0|2,0,0]=3 2172 B9R1.163 NC(=S)C1(N)CCCC1 Amb19374908 [0,0,0,1,0,0|2,1,0]=4 2173 B9R1.163 NC1(CCCC1)P(O)=O Amb24561449 [0,0,0,1,0,0|2,0,0]=3 2174 B9R1.163 NC1(CNCC1)C(O)=O Amb22490624 [0,0,0,1,0,0|1,0,0]=2 2175 B9R1.163 NC1(COCC1)C(O)=O Amb22274600 [0,0,0,1,0,0|0,1,0]=2 2176 B9R1.163 NC1(CSCC1)C(O)=O Amb22274058 [0,0,0,1,0,0|0,0,0]=1 2177 B9R1.163 N[C@@]1(COCC1)C(O)=O Amb20241211 [0,0,0,1,0,0|0,1,0]=2 2178 B9R1.163 N[C@]1(COCC1)C(O)=O Amb20241209 [0,0,0,1,0,0|0,1,0]=2 2179 B9R1.163 N[C@]1(CSCC1)C(O)=O Amb24476636 [0,0,0,1,0,0|0,0,0]=1 2180 B9R1.163 O=C(Cl)C1(Cl)CCCC1 Amb25106802 [0,0,0,1,0,0|3,0,0]=4 2181 B9R1.163 OC(=O)C1(Br)CCCC1 Amb17595053 [0,0,0,1,0,0|2,0,0]=3 2182 B9R1.163 OC(=O)C1(C)CCCN1 Amb15701407 [0,0,0,1,0,0|3,0,0]=4 2183 B9R1.163 OC(=O)C1(C)CCCO1 Amb1088877 [0,0,0,1,0,0|3,0,0]=4 2184 B9R1.163 OC(=O)C1(F)CNCC1 Amb24120613 [0,0,0,1,0,0|2,0,0]=3 2185 B9R1.163 OC(=O)C1(F)COCC1 Amb24420228 [0,0,0,1,0,0|1,1,0]=3 2186 B9R1.163 OC(=O)C1(F)CSCC1 Amb24541152 [0,0,0,1,0,0|1,0,0]=2 2187 B9R1.163 OC(=O)C1(N)CCCC1 Amb1838882 [0,0,0,1,0,0|1,0,0]=2 2188 B9R1.163 OC(=O)C1(N)COCC1 Amb16232669 [0,0,0,1,0,0|0,1,0]=2 2189 B9R1.163 OC(=O)C1(O)CCCC1 Amb1159211 [0,0,0,1,0,0|2,0,0]=3 2190 B9R1.163 OC(=O)C1(O)CNCC1 Amb22500918 [0,0,0,1,0,0|2,0,0]=3 2191 B9R1.163 OC(=O)C1(O)CNCC1 Amb22899772 [0,0,0,1,0,0|2,0,0]=3 2192 B9R1.163 OC(=O)C1(O)CSCC1 Amb18944714 [0,0,0,1,0,0|1,0,0]=2 2193 B9R1.163 OC(=O)[C@@]1(F)CCCN1 Amb22748241 [0,0,0,1,0,0|3,0,0]=4 2194 B9R1.163 OC(=O)[C@]1(C)CCCN1 Amb10603262 [0,0,0,1,0,0|3,0,0]=4 2195 B9R1.163 OC(=O)[C@]1(O)COCC1 Amb24389865 [0,0,0,1,0,0|1,1,0]=3 2196 B9R1.163 [2H]C1(CCCN1)C(O)=O Amb22367354 [0,0,0,1,0,0|3,0,0]=4 2197 B9R1.163 [NH3+]C1(CNCC1)C([O-])=O Amb22231944 [0,0,0,1,0,0|1,0,2]=4 2198 B9R1.163 [NH3+]C1(C[NH2+]CC1)C(O)=O Amb22583868 [0,0,0,1,0,0|1,0,1]=3 2199 B9R0.4 C=CCCC(N)CC(N)=O Amb25367476 [0,0,0,0,0,1|2,0,1]=4 2200 B9R0.4 C=CCCC(N)CC(O)=O Amb22641959 [0,0,0,0,0,1|1,0,1]=3 2201 B9R0.4 C=CCCC(O)CC(O)=O Amb24763775 [0,0,0,0,0,1|2,0,1]=4 2202 B9R0.4 C=CCC[C@@H](CC(=O)O)N Amb10066917 [0,0,0,0,0,1|1,0,1]=3 2203 B9R0.4 C=CCC[C@H](CC(=O)O)N Amb10066925 [0,0,0,0,0,1|1,0,1]=3 2204 B9R0.4 CC#CCC(C)CC(O)=O Amb24350965 [0,0,0,0,0,1|2,0,1]=4 2205 B9R0.4 CC#CC[C@@H](C)CC(O)=O Amb24616270 [0,0,0,0,0,1|2,0,1]=4 2206 B9R0.4 CC(=O)\C=C(/N)\CCCC Amb25317904 [0,0,0,0,0,1|2,0,1]=4 2207 B9R0.4 CC(CC(O)=O)CCC#N Amb25789692 [0,0,0,0,0,1|3,0,0]=4 2208 B9R0.4 CC(CC(O)=O)CCC=C Amb18643923 [0,0,0,0,0,1|2,0,1]=4 2209 B9R0.4 CC(CCCCl)CC(O)=O Amb18646190 [0,0,0,0,0,1|3,0,0]=4 2210 B9R0.4 CC(CCCN)CC(O)=O Amb24761313 [0,0,0,0,0,1|3,0,0]=4 2211 B9R0.4 CC(CCOC)=CC(O)=O Amb25309097 [0,0,0,0,0,1|1,1,1]=4 2212 B9R0.4 CC(CCSC)CC(C)O Amb25662534 [0,0,0,0,0,1|2,0,1]=4 2213 B9R0.4 CC(O)CC(N)CCOC Amb25718482 [0,0,0,0,0,1|1,1,1]=4 2214 B9R0.4 CCCCC(=C)CC(O)=O Amb18643896 [0,0,0,0,0,1|2,0,1]=4 2215 B9R0.4 CCCCC(C)CC(C)=O Amb25051695 [0,0,0,0,0,1|3,0,0]=4 2216 B9R0.4 CCCCC(C)CC(N)=O Amb24761512 [0,0,0,0,0,1|3,0,0]=4 2217 B9R0.4 CCCCC(CC(=O)O)N Amb1993866 [0,0,0,0,0,1|1,0,0]=2 2218 B9R0.4 CCCCC(Cl)=CC(O)=O Amb25179107 [0,0,0,0,0,1|2,0,1]=4 2219 B9R0.4 CCCCC(Cl)CC(=O)Cl Amb24563246 [0,0,0,0,0,1|3,0,0]=4 2220 B9R0.4 CCCCC(Cl)OC(=O)Cl Amb24571701 [0,0,0,0,0,1|3,0,0]=4 2221 B9R0.4 CCCCC(Cl)OC(C)=O Amb24724411 [0,0,0,0,0,1|3,0,0]=4 2222 B9R0.4 CCCCC(F)=CC(O)=O Amb24568324 [0,0,0,0,0,1|2,0,1]=4 2223 B9R0.4 CCCCC(N)CC(N)=O Amb24638916 [0,0,0,0,0,1|2,0,0]=3 2224 B9R0.4 CCCCC(O)CC(N)=O Amb24563459 [0,0,0,0,0,1|3,0,0]=4 2225 B9R0.4 CCCCC(O)CC(O)=O Amb22388888 [0,0,0,0,0,1|2,0,0]=3 2226 B9R0.4 CCCCS(=O)CC(O)=O Amb18792577 [0,0,0,0,0,1|3,0,0]=4 2227 B9R0.4 CCCC[C@@H](C)NC(C)=O Amb24681561 [0,0,0,0,0,1|3,0,0]=4 2228 B9R0.4 CCCC[C@@H](O)CC(N)=O Amb24549040 [0,0,0,0,0,1|3,0,0]=4 2229 B9R0.4 CCCC[C@@H](O)CC(O)=O Amb24350627 [0,0,0,0,0,1|2,0,0]=3 2230 B9R0.4 CCCC[C@H](N)CC(N)=O Amb25147366 [0,0,0,0,0,1|2,0,0]=3 2231 B9R0.4 CCCC[C@H](O)CC(C)=O Amb25245692 [0,0,0,0,0,1|3,0,0]=4 2232 B9R0.4 CCCC\C(\Cl)=C/C(O)=O Amb25279577 [0,0,0,0,0,1|2,0,1]=4 2233 B9R0.4 CCCC\C(\F)=C/C(O)=O Amb18124779 [0,0,0,0,0,1|2,0,1]=4 2234 B9R0.4 CCCO[C@H](C)CC(O)=O Amb24450437 [0,0,0,0,0,1|3,0,0]=4 2235 B9R0.4 CCOCC(C)CC(O)=O Amb18202330 [0,0,0,0,0,1|3,0,0]=4 2236 B9R0.4 CCOCC(Cl)CC(O)=O Amb24426131 [0,0,0,0,0,1|3,0,0]=4 2237 B9R0.4 CC\C=C\C(N)CC(O)=O Amb25843767 [0,0,0,0,0,1|1,0,2]=4 2238 B9R0.4 CNCCC(C)CC(O)=O Amb24694269 [0,0,0,0,0,1|2,0,0]=3 2239 B9R0.4 CNCC[C@@H](N)CC(O)=O Amb24117036 [0,0,0,0,0,1|1,0,0]=2 2240 B9R0.4 CNCC[C@H](N)CC(O)=O Amb25789535 [0,0,0,0,0,1|1,0,0]=2 2241 B9R0.4 COCCC(C)CC(N)=O Amb25842751 [0,0,0,0,0,1|2,1,0]=4 2242 B9R0.4 COCCC(C)OC(C)=O Amb24482618 [0,0,0,0,0,1|2,1,0]=4 2243 B9R0.4 COCCC(N)C=C(C)C Amb24561586 [0,0,0,0,0,1|2,1,0]=4 2244 B9R0.4 COCCC(N)CC(C)=C Amb25724746 [0,0,0,0,0,1|2,1,0]=4 2245 B9R0.4 COCCC(N)CC(C)=O Amb25147726 [0,0,0,0,0,1|1,1,0]=3 2246 B9R0.4 COCCN(C)CC(O)=O Amb22587006 [0,0,0,0,0,1|2,1,0]=4 2247 B9R0.4 COCCN(C)CC(O)=O Amb22587626 [0,0,0,0,0,1|2,1,0]=4 2248 B9R0.4 COCCS(=O)CC(O)=O Amb18792760 [0,0,0,0,0,1|2,1,0]=4 2249 B9R0.4 COCO[C@H](C)CC(O)=O Amb24715879 [0,0,0,0,0,1|2,1,0]=4 2250 B9R0.4 CSCCC(=O)NC(N)=O Amb24632728 [0,0,0,0,0,1|2,0,1]=4 2251 B9R0.4 CSCCC(C)NC(C)=N Amb25681700 [0,0,0,0,0,1|3,0,0]=4 2252 B9R0.4 CSCCC(N)CC(O)=O Amb22353181 [0,0,0,0,0,1|0,0,0]=1 2253 B9R0.4 CSCCC(N)CN(C)C Amb23511552 [0,0,0,0,0,1|3,0,0]=4 2254 B9R0.4 CSCCC(O)CC(O)=O Amb18798349 [0,0,0,0,0,1|1,0,0]=2 2255 B9R0.4 CSCC[C@@H](CC(=O)O)N Amb16184019 [0,0,0,0,0,1|0,0,0]=1 2256 B9R0.4 CSCC[C@H](N)CC(O)=O Amb22352993 [0,0,0,0,0,1|0,0,0]=1 2257 B9R0.4 CSCC[C@H](N)CN(C)C Amb24381963 [0,0,0,0,0,1|3,0,0]=4 2258 B9R0.4 C[C@@H](CCCN)CC(O)=O Amb24744945 [0,0,0,0,0,1|3,0,0]=4 2259 B9R0.4 C[C@@H](O)C[C@@H](N)CCCC Amb25234742 [0,0,0,0,0,1|2,0,1]=4 2260 B9R0.4 C[C@H](CC(O)=O)CCC#C Amb25064050 [0,0,0,0,0,1|2,0,1]=4 2261 B9R0.4 C[C@H](CC(O)=O)CCC=C Amb24674116 [0,0,0,0,0,1|2,0,1]=4 2262 B9R0.4 C[C@H](CCCN)CC(O)=O Amb24715301 [0,0,0,0,0,1|3,0,0]=4 2263 B9R0.4 C[C@H](CCCS)CC(O)=O Amb24358051 [0,0,0,0,0,1|3,0,0]=4 2264 B9R0.4 C\C(\CC(O)=O)=C\CSC Amb24726319 [0,0,0,0,0,1|1,0,2]=4 2265 B9R0.4 NC(CCCS)CC(O)=O Amb24524306 [0,0,0,0,0,1|2,0,0]=3 2266 B9R0.4 NCCCC(N)CC(O)=O Amb18644278 [0,0,0,0,0,1|2,0,0]=3 2267 B9R0.4 NCCC[C@@H](N)CC(N)=O Amb25794069 [0,0,0,0,0,1|3,0,0]=4 2268 B9R0.4 NCCC[C@@H](N)CC(O)=O Amb24117039 [0,0,0,0,0,1|2,0,0]=3 2269 B9R0.4 NCCC[C@@H](N)CC(O)=O Amb24117927 [0,0,0,0,0,1|2,0,0]=3 2270 B9R0.4 NCCC[C@H](N)CC(O)=O Amb25757485 [0,0,0,0,0,1|2,0,0]=3 2271 B9R0.4 O[C@@H](CCCBr)CC(O)=O Amb24605609 [0,0,0,0,0,1|3,0,0]=4 2272 B6R0.1 C#CCC(N)C=O Amb25117972 [2,0,0,0,0,0|0,0,2]=4 2273 B6R0.1 C=CC(N)CCO Amb22496689 [2,0,0,0,0,0|1,1,0]=4 2274 B6R0.1 C=C[C@H](N)CCO Amb24606587 [2,0,0,0,0,0|1,1,0]=4 2275 B6R0.1 CC(CCBr)C=O Amb18126359 [2,0,0,0,0,0|2,0,0]=4 2276 B6R0.1 CC(CCCl)C=O Amb18641984 [2,0,0,0,0,0|2,0,0]=4 2277 B6R0.1 CCC(N)CCS Amb25129592 [2,0,0,0,0,0|1,0,1]=4 2278 B6R0.1 CCCC(=C)C=O Amb18639170 [2,0,0,0,0,0|1,0,1]=4 2279 B6R0.1 CCCC(=O)C=O Amb18639569 [2,0,0,0,0,0|1,0,1]=4 2280 B6R0.1 CCCC(Br)C=C Amb20619420 [2,0,0,0,0,0|2,0,0]=4 2281 B6R0.1 CCCC(Br)C=O Amb18126388 [2,0,0,0,0,0|1,0,0]=3 2282 B6R0.1 CCCC(Br)CO Amb25320904 [2,0,0,0,0,0|1,0,1]=4 2283 B6R0.1 CCCC(C#N)N Amb1130677 [2,0,0,0,0,0|1,0,1]=4 2284 B6R0.1 CCCC(C)NO Amb25737149 [2,0,0,0,0,0|2,0,0]=4 2285 B6R0.1 CCCC(CC)N Amb13951437 [2,0,0,0,0,0|1,0,1]=4 2286 B6R0.1 CCCC(Cl)C=C Amb25109234 [2,0,0,0,0,0|2,0,0]=4 2287 B6R0.1 CCCC(Cl)C=O Amb18124277 [2,0,0,0,0,0|1,0,0]=3 2288 B6R0.1 CCCC(F)C=O Amb24544750 [2,0,0,0,0,0|1,0,0]=3 2289 B6R0.1 CCCC(I)C=O Amb25290285 [2,0,0,0,0,0|1,0,0]=3 2290 B6R0.1 CCCC(N)CBr Amb24692514 [2,0,0,0,0,0|1,0,1]=4 2291 B6R0.1 CCCC(N)CF Amb24566752 [2,0,0,0,0,0|1,0,1]=4 2292 B6R0.1 CCCC(O)C=C Amb22002474 [2,0,0,0,0,0|2,0,0]=4 2293 B6R0.1 CCCC(O)C=O Amb24531721 [2,0,0,0,0,0|1,0,0]=3 2294 B6R0.1 CCCN(N)C=O Amb18121867 [2,0,0,0,0,0|1,0,0]=3 2295 B6R0.1 CCC[C@@H](C)CO Amb22823174 [2,0,0,0,0,0|1,0,1]=4 2296 B6R0.1 CCC[C@@H](N)C#C Amb25338576 [2,0,0,0,0,0|1,0,1]=4 2297 B6R0.1 CCC[C@@H](N)C#N Amb25292755 [2,0,0,0,0,0|1,0,1]=4 2298 B6R0.1 CCC[C@@H](N)CN Amb24506469 [2,0,0,0,0,0|1,0,1]=4 2299 B6R0.1 CCC[C@@H](N)CO Amb22756532 [2,0,0,0,0,0|0,0,1]=3 2300 B6R0.1 CCC[C@@H](O)CO Amb25215310 [2,0,0,0,0,0|1,0,1]=4 2301 B6R0.1 CCC[C@H](Br)CO Amb24478880 [2,0,0,0,0,0|1,0,1]=4 2302 B6R0.1 CCC[C@H](Cl)C=O Amb24470180 [2,0,0,0,0,0|1,0,0]=3 2303 B6R0.1 CCC[C@H](Cl)CO Amb25858080 [2,0,0,0,0,0|1,0,1]=4 2304 B6R0.1 CCC[C@H](N)C#N Amb24715797 [2,0,0,0,0,0|1,0,1]=4 2305 B6R0.1 CCC[C@H](N)C=C Amb25738578 [2,0,0,0,0,0|1,0,0]=3 2306 B6R0.1 CCC[C@H](O)C=C Amb25133740 [2,0,0,0,0,0|2,0,0]=4 2307 B6R0.1 CCC[C@H](O)CO Amb22225461 [2,0,0,0,0,0|1,0,1]=4 2308 B6R0.1 CCC\C(\N)=N\O Amb19890174 [2,0,0,0,0,0|1,0,1]=4 2309 B6R0.1 CCOC(C)C=O Amb18639937 [2,0,0,0,0,0|2,0,0]=4 2310 B6R0.1 CCOC(O)C=O Amb25207812 [2,0,0,0,0,0|2,0,0]=4 2311 B6R0.1 CC[C@@H](N)CCC Amb25841506 [2,0,0,0,0,0|1,0,1]=4 2312 B6R0.1 CC[C@@H](N)CSC Amb25303922 [2,0,0,0,0,0|1,0,1]=4 2313 B6R0.1 CNCC(C)C=O Amb25843425 [2,0,0,0,0,0|2,0,0]=4 2314 B6R0.1 COCC(Br)C=O Amb18645355 [2,0,0,0,0,0|1,1,0]=4 2315 B6R0.1 COCC(C)C=O Amb20667976 [2,0,0,0,0,0|1,1,0]=4 2316 B6R0.1 COCC(N)C=C Amb25252949 [2,0,0,0,0,0|1,1,0]=4 2317 B6R0.1 COCC(O)C=O Amb18122318 [2,0,0,0,0,0|1,1,0]=4 2318 B6R0.1 COC[C@H](N)C=C Amb25296783 [2,0,0,0,0,0|1,1,0]=4 2319 B6R0.1 CSCC(Br)C=O Amb25065364 [2,0,0,0,0,0|1,0,0]=3 2320 B6R0.1 CSCC(C)C=O Amb20621025 [2,0,0,0,0,0|1,0,0]=3 2321 B6R0.1 CSCC(CC)N Amb17485955 [2,0,0,0,0,0|1,0,1]=4 2322 B6R0.1 CSCC(Cl)C=C Amb24651091 [2,0,0,0,0,0|2,0,0]=4 2323 B6R0.1 CSCC(N)C#N Amb18284102 [2,0,0,0,0,0|1,0,1]=4 2324 B6R0.1 CSCC(N)CO Amb18642038 [2,0,0,0,0,0|0,0,1]=3 2325 B6R0.1 CSC[C@@H](N)CO Amb24479894 [2,0,0,0,0,0|0,0,1]=3 2326 B6R0.1 CSC[C@H](N)C=O Amb24629006 [2,0,0,0,0,0|0,0,0]=2 2327 B6R0.1 CSC[C@H](O)CO Amb25745523 [2,0,0,0,0,0|1,0,1]=4 2328 B6R0.1 CSSC(C)C=O Amb25103279 [2,0,0,0,0,0|2,0,0]=4 2329 B6R0.1 NC(CCO)C=O Amb25259176 [2,0,0,0,0,0|0,1,0]=3 2330 B6R0.1 NC(CCS)CS Amb25840953 [2,0,0,0,0,0|0,1,1]=4 2331 B6R0.1 NC(CO)CCF Amb25259782 [2,0,0,0,0,0|1,0,1]=4 2332 B6R0.1 NC(CO)CCS Amb24606897 [2,0,0,0,0,0|0,0,1]=3 2333 B6R0.1 NCCC(N)CO Amb24479824 [2,0,0,0,0,0|1,0,1]=4 2334 B6R0.1 NCCC(O)C=O Amb25682881 [2,0,0,0,0,0|2,0,0]=4 2335 B6R0.1 O=CC(F)CCBr Amb24600375 [2,0,0,0,0,0|2,0,0]=4 2336 B6R0.1 OCC[C@@H](O)C=O Amb24741761 [2,0,0,0,0,0|1,1,0]=4 2337 B6R0.4 C=NCCC(O)=O Amb24480865 [2,0,0,0,0,0|1,0,1]=4 2338 B6R0.4 CC#CCC(O)=O Amb17939740 [2,0,0,0,0,0|0,0,2]=4 2339 B6R0.4 CC(=O)CCCF Amb25068187 [2,0,0,0,0,0|2,0,0]=4 2340 B6R0.4 CC(=O)CCCI Amb25346994 [2,0,0,0,0,0|2,0,0]=4 2341 B6R0.4 CC(=O)CCCN Amb18121547 [2,0,0,0,0,0|2,0,0]=4 2342 B6R0.4 CC(=O)NCCS Amb22230992 [2,0,0,0,0,0|2,0,0]=4 2343 B6R0.4 CC(O)CCCS Amb25219256 [2,0,0,0,0,0|1,0,1]=4 2344 B6R0.4 CCCCB(O)O Amb2447142 [2,0,0,0,0,0|1,0,1]=4 2345 B6R0.4 CCCCC(=C)Br Amb22583744 [2,0,0,0,0,0|2,0,0]=4 2346 B6R0.4 CCCCC(=N)N Amb10066937 [2,0,0,0,0,0|2,0,0]=4 2347 B6R0.4 CCCCC(=O)Br Amb22730323 [2,0,0,0,0,0|1,0,0]=3 2348 B6R0.4 CCCCC(N)O Amb24479887 [2,0,0,0,0,0|1,0,0]=3 2349 B6R0.4 CCCCC(O)=S Amb24682342 [2,0,0,0,0,0|0,1,0]=3 2350 B6R0.4 CCCCC(O)O Amb24687253 [2,0,0,0,0,0|0,0,2]=4 2351 B6R0.4 CCCCC(O)S Amb24480485 [2,0,0,0,0,0|0,1,1]=4 2352 B6R0.4 CCCCC([O-])=O Amb19879370 [2,0,0,0,0,0|0,0,1]=3 2353 B6R0.4 CCCCC([O-])=O Amb22056343 [2,0,0,0,0,0|0,0,1]=3 2354 B6R0.4 CCCCC([O-])=O Amb22729192 [2,0,0,0,0,0|0,0,1]=3 2355 B6R0.4 CCCCC([O-])=O Amb22731639 [2,0,0,0,0,0|0,0,1]=3 2356 B6R0.4 CCCCS(=O)Cl Amb24551332 [2,0,0,0,0,0|2,0,0]=4 2357 B6R0.4 CCCCS([O-])=O Amb19889352 [2,0,0,0,0,0|1,0,1]=4 2358 B6R0.4 CCCC[13C](O)=O Amb22367454 [2,0,0,0,0,0|0,0,0]=2 2359 B6R0.4 CCCC[C@@H](C)N Amb20242479 [2,0,0,0,0,0|1,0,1]=4 2360 B6R0.4 CCCC[C@@H](C)O Amb19929139 [2,0,0,0,0,0|1,0,1]=4 2361 B6R0.4 CCCC[C@H](C)N Amb20242478 [2,0,0,0,0,0|1,0,1]=4 2362 B6R0.4 CCCC[Sn](=O)S Amb22730994 [2,0,0,0,0,0|1,1,0]=4 2363 B6R0.4 CCCC[Sn](O)=O Amb22336393 [2,0,0,0,0,0|1,0,0]=3 2364 B6R0.4 CCCNC(=O)Cl Amb25688616 [2,0,0,0,0,0|2,0,0]=4 2365 B6R0.4 CCCNC(=O)N Amb1152241 [2,0,0,0,0,0|2,0,0]=4 2366 B6R0.4 CCCNC(O)=S Amb25302945 [2,0,0,0,0,0|1,1,0]=4 2367 B6R0.4 CCCOC(=O)Cl Amb10604123 [2,0,0,0,0,0|2,0,0]=4 2368 B6R0.4 CCCOP(O)=O Amb25366595 [2,0,0,0,0,0|2,0,0]=4 2369 B6R0.4 CCCSC(C)=O Amb22043301 [2,0,0,0,0,0|2,0,0]=4 2370 B6R0.4 CCNCC(=O)N Amb1128676 [2,0,0,0,0,0|2,0,0]=4 2371 B6R0.4 CCNCC(=O)O Amb10609667 [2,0,0,0,0,0|1,0,0]=3 2372 B6R0.4 CCNCC(C)=O Amb24545893 [2,0,0,0,0,0|2,0,0]=4 2373 B6R0.4 CCSCC(=O)O Amb1125185 [2,0,0,0,0,0|1,0,0]=3 2374 B6R0.4 CCSCC(N)=O Amb24420234 [2,0,0,0,0,0|2,0,0]=4 2375 B6R0.4 CC\C=C/C(O)=O Amb22230421 [2,0,0,0,0,0|0,0,2]=4 2376 B6R0.4 CNCCC(=O)O Amb10609760 [2,0,0,0,0,0|1,0,0]=3 2377 B6R0.4 CNCCC(C)=O Amb24560306 [2,0,0,0,0,0|2,0,0]=4 2378 B6R0.4 CNCCC(C)N Amb18288833 [2,0,0,0,0,0|1,0,1]=4 2379 B6R0.4 CNCCC(N)=O Amb19959913 [2,0,0,0,0,0|1,0,1]=4 2380 B6R0.4 CNCCC(O)C Amb17569889 [2,0,0,0,0,0|2,0,0]=4 2381 B6R0.4 CNCC[C@H](C)N Amb25825236 [2,0,0,0,0,0|1,0,1]=4 2382 B6R0.4 CNNCC(O)=O Amb21929288 [2,0,0,0,0,0|2,0,0]=4 2383 B6R0.4 CNOCC(O)=O Amb25104714 [2,0,0,0,0,0|2,0,0]=4 2384 B6R0.4 COCCC(C)O Amb20621489 [2,0,0,0,0,0|1,1,0]=4 2385 B6R0.4 COCCC(N)O Amb25727188 [2,0,0,0,0,0|0,1,0]=3 2386 B6R0.4 COCCC(O)Br Amb20242943 [2,0,0,0,0,0|1,1,0]=4 2387 B6R0.4 CSCCC(=S)N Amb17307559 [2,0,0,0,0,0|0,1,1]=4 2388 B6R0.4 CSCCC(C)F Amb25853953 [2,0,0,0,0,0|1,0,1]=4 2389 B6R0.4 CSCCC(C)N Amb19515505 [2,0,0,0,0,0|0,0,1]=3 2390 B6R0.4 CSCCC(Cl)Cl Amb24333252 [2,0,0,0,0,0|2,0,0]=4 2391 B6R0.4 CSCCC(N)=N Amb19373501 [2,0,0,0,0,0|1,0,1]=4 2392 B6R0.4 CSCCC(N)=N Amb19516878 [2,0,0,0,0,0|1,0,1]=4 2393 B6R0.4 CSCCC(N)=O Amb24479809 [2,0,0,0,0,0|0,0,1]=3 2394 B6R0.4 CSCCN(=O)=O Amb24179458 [2,0,0,0,0,0|1,0,1]=4 2395 B6R0.4 CSCNC(C)=O Amb24561383 [2,0,0,0,0,0|2,0,0]=4 2396 B6R0.4 CSCNC(N)=O Amb24612362 [2,0,0,0,0,0|1,0,1]=4 2397 B6R0.4 CSCOC(C)=O Amb19884027 [2,0,0,0,0,0|2,0,0]=4 2398 B6R0.4 CSSCC(N)=O Amb24480454 [2,0,0,0,0,0|1,0,1]=4 2399 B6R0.4 CSSCC(O)=O Amb25378801 [2,0,0,0,0,0|1,0,0]=3 2400 B6R0.4 CS\C=C\C(O)=O Amb18641964 [2,0,0,0,0,0|0,0,2]=4 2401 B6R0.4 C[C@@H](O)CCCS Amb25794939 [2,0,0,0,0,0|1,0,1]=4 2402 B6R0.4 C\C=C/CC(O)=O Amb25692581 [2,0,0,0,0,0|0,0,2]=4 2403 B6R0.4 C\C=N\CC(O)=O Amb24618330 [2,0,0,0,0,0|1,0,1]=4 2404 B6R0.4 ClCCCC(=O)N Amb1138237 [2,0,0,0,0,0|2,0,0]=4 2405 B6R0.4 FCCCC(=O)O Amb17593104 [2,0,0,0,0,0|1,0,0]=3 2406 B6R0.4 NC(=O)CCCBr Amb25779163 [2,0,0,0,0,0|2,0,0]=4 2407 B6R0.4 NC(=O)CCCO Amb20623438 [2,0,0,0,0,0|1,1,0]=4 2408 B6R0.4 NCCCC(=O)Cl Amb1935063 [2,0,0,0,0,0|2,0,0]=4 2409 B6R0.4 NCCCC(=O)N Amb2099583 [2,0,0,0,0,0|2,0,0]=4 2410 B6R0.4 NCCCC(=O)O Amb1935210 [2,0,0,0,0,0|1,0,0]=3 2411 B6R0.4 NCCCC(Cl)=O Amb17801145 [2,0,0,0,0,0|2,0,0]=4 2412 B6R0.4 NCCCC(N)O Amb25063002 [2,0,0,0,0,0|2,0,0]=4 2413 B6R0.4 NCCCP(O)=O Amb22370049 [2,0,0,0,0,0|2,0,0]=4 2414 B6R0.4 NCCCS(O)=O Amb25185942 [2,0,0,0,0,0|2,0,0]=4 2415 B6R0.4 NOCCC(=O)O Amb17569891 [2,0,0,0,0,0|1,1,0]=4 2416 B6R0.4 O=C(Br)CCCBr Amb25724818 [2,0,0,0,0,0|2,0,0]=4 2417 B6R0.4 O=C(Br)CCCCl Amb25146320 [2,0,0,0,0,0|2,0,0]=4 2418 B6R0.4 O=C(S)CCCCl Amb24683280 [2,0,0,0,0,0|1,1,0]=4 2419 B6R0.4 OC(=O)CCC=O Amb17673897 [2,0,0,0,0,0|0,1,1]=4 2420 B6R0.4 OC(=O)CCCI Amb22295911 [2,0,0,0,0,0|1,0,0]=3 2421 B6R0.4 OC(=O)CCCP Amb24717184 [2,0,0,0,0,0|1,0,0]=3 2422 B6R0.4 OC(=O)CCNCl Amb24437846 [2,0,0,0,0,0|2,0,0]=4 2423 B6R0.4 OC(=O)\C=C\CS Amb18285239 [2,0,0,0,0,0|0,0,2]=4 2424 B6R0.4 OCCCC(=O)O Amb17615189 [2,0,0,0,0,0|0,1,0]=3 2425 B6R0.4 OCCCC(O)=O Amb18640332 [2,0,0,0,0,0|0,1,0]=3 2426 B6R0.4 O[13CH2][13CH2][13CH2][13C](O)=O Amb19132555 [2,0,0,0,0,0|0,1,0]=3 2427 B6R0.4 SCCCC(=O)O Amb16185429 [2,0,0,0,0,0|0,0,0]=2 2428 B6R0.6 C=CCCCC=O Amb13883672 [2,0,0,0,0,0|1,0,1]=4 2429 B6R0.6 CC#CCCC=O Amb24600953 [2,0,0,0,0,0|1,0,1]=4 2430 B6R0.6 CCCCCNO Amb25067859 [2,0,0,0,0,0|2,0,0]=4 2431 B6R0.6 CCCCCSC Amb21618865 [2,0,0,0,0,0|1,0,1]=4 2432 B6R0.6 CCCOCC=O Amb24421025 [2,0,0,0,0,0|2,0,0]=4 2433 B6R0.6 CCCSCC=O Amb24479810 [2,0,0,0,0,0|2,0,0]=4 2434 B6R0.6 CCNCCC=O Amb25712349 [2,0,0,0,0,0|2,0,0]=4 2435 B6R0.6 CCOCCC=O Amb25688261 [2,0,0,0,0,0|2,0,0]=4 2436 B6R0.6 CNCCCC=C Amb18523846 [2,0,0,0,0,0|2,0,0]=4 2437 B6R0.6 CNCCCC=O Amb25026193 [2,0,0,0,0,0|1,0,0]=3 2438 B6R0.6 CNCCCCO Amb17334049 [2,0,0,0,0,0|1,0,1]=4 2439 B6R0.6 COCCCC=C Amb24432882 [2,0,0,0,0,0|1,1,0]=4 2440 B6R0.6 COCCCCO Amb17666901 [2,0,0,0,0,0|0,1,1]=4 2441 B6R0.6 COCCNC=O Amb24334241 [2,0,0,0,0,0|1,1,0]=4 2442 B6R0.6 CSCCCC#N Amb17504231 [2,0,0,0,0,0|1,0,1]=4 2443 B6R0.6 CSCCCCBr Amb19054837 [2,0,0,0,0,0|1,0,1]=4 2444 B6R0.6 CSCCCCCl Amb25240444 [2,0,0,0,0,0|1,0,1]=4 2445 B6R0.6 CSCCCCN Amb17500948 [2,0,0,0,0,0|1,0,1]=4 2446 B6R0.6 CSCCCNN Amb24093854 [2,0,0,0,0,0|2,0,0]=4 2447 B6R0.6 CSCCCSC Amb22043311 [2,0,0,0,0,0|2,0,0]=4 2448 B6R0.6 CSCCN=C=O Amb19889355 [2,0,0,0,0,0|1,0,1]=4 2449 B6R0.6 CSCCOC=C Amb25801320 [2,0,0,0,0,0|2,0,0]=4 2450 B6R0.6 N#CCCCC=O Amb18120556 [2,0,0,0,0,0|2,0,0]=4 2451 B6R0.6 N=CCCCC=O Amb24690651 [2,0,0,0,0,0|2,0,0]=4 2452 B6R0.6 O=CCCCC#C Amb17593060 [2,0,0,0,0,0|1,0,1]=4 2453 B6R0.6 O=CCCCCBr Amb18126353 [2,0,0,0,0,0|2,0,0]=4 2454 B6R0.6 O=CCCCCCl Amb18123550 [2,0,0,0,0,0|2,0,0]=4 2455 B6R0.6 O=CCCCCF Amb25725976 [2,0,0,0,0,0|2,0,0]=4 2456 B6R0.6 O=CCCCCI Amb24707459 [2,0,0,0,0,0|2,0,0]=4 2457 B6R0.6 O=CCC\C=C\C Amb17593074 [2,0,0,0,0,0|1,0,1]=4 2458 B6R0.6 OCCCCC=O Amb10603837 [2,0,0,0,0,0|2,0,0]=4 2459 B6R0.6 OCCCCSCl Amb24619715 [2,0,0,0,0,0|1,0,1]=4 2460 B6R0.6 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2]O Amb22367427 [2,0,0,0,0,0|1,0,1]=4 2461 B6R0.3 C#C[C@H](N)C(O)=O Amb22350666 [2,0,0,0,0,0|0,0,2]=4 2462 B6R0.3 C=CC(N)C(O)=O Amb20240543 [2,0,0,0,0,0|0,0,2]=4 2463 B6R0.3 C=C[C@@H](N)C(O)=O Amb20241335 [2,0,0,0,0,0|0,0,2]=4 2464 B6R0.3 C=C[C@@H](N)C(O)=O Amb22756048 [2,0,0,0,0,0|0,0,2]=4 2465 B6R0.3 CC(=C)C(N)CS Amb18641941 [2,0,0,0,0,0|2,0,0]=4 2466 B6R0.3 CC(=O)C(N)CN Amb24479898 [2,0,0,0,0,0|2,0,0]=4 2467 B6R0.3 CC(=O)C(N)CO Amb18640011 [2,0,0,0,0,0|1,1,0]=4 2468 B6R0.3 CC(=O)C(N)CS Amb24479874 [2,0,0,0,0,0|1,0,0]=3 2469 B6R0.3 CC(=O)[C@@H](N)CO Amb22745043 [2,0,0,0,0,0|1,1,0]=4 2470 B6R0.3 CC(CBr)C(O)=O Amb22002601 [2,0,0,0,0,0|2,0,0]=4 2471 B6R0.3 CC(CCl)C(O)=O Amb18522181 [2,0,0,0,0,0|2,0,0]=4 2472 B6R0.3 CC(CF)C(O)=O Amb24432331 [2,0,0,0,0,0|2,0,0]=4 2473 B6R0.3 CC(CI)C(O)=O Amb25695307 [2,0,0,0,0,0|2,0,0]=4 2474 B6R0.3 CC(CS)C(C)=O Amb25830693 [2,0,0,0,0,0|2,0,0]=4 2475 B6R0.3 CC(CS)C(N)=O Amb25759660 [2,0,0,0,0,0|2,0,0]=4 2476 B6R0.3 CC(O)[C@@H](N)CC Amb24453251 [2,0,0,0,0,0|1,0,1]=4 2477 B6R0.3 CCC(=C)C(O)=O Amb18639591 [2,0,0,0,0,0|1,0,1]=4 2478 B6R0.3 CCC(=O)C(O)=O Amb22274199 [2,0,0,0,0,0|1,0,1]=4 2479 B6R0.3 CCC(Br)C(=O)Br Amb22002455 [2,0,0,0,0,0|2,0,0]=4 2480 B6R0.3 CCC(Br)C(C)=O Amb24615269 [2,0,0,0,0,0|2,0,0]=4 2481 B6R0.3 CCC(Br)C(Cl)=O Amb17666758 [2,0,0,0,0,0|2,0,0]=4 2482 B6R0.3 CCC(C(=O)Cl)N Amb17593240 [2,0,0,0,0,0|1,0,0]=3 2483 B6R0.3 CCC(C(=O)N)Br Amb13952819 [2,0,0,0,0,0|2,0,0]=4 2484 B6R0.3 CCC(C(=O)N)N Amb1914080 [2,0,0,0,0,0|1,0,0]=3 2485 B6R0.3 CCC(C(=O)O)S Amb17501370 [2,0,0,0,0,0|1,0,0]=3 2486 B6R0.3 CCC(Cl)C(=O)Cl Amb22045230 [2,0,0,0,0,0|2,0,0]=4 2487 B6R0.3 CCC(Cl)C(C)=O Amb24078713 [2,0,0,0,0,0|2,0,0]=4 2488 B6R0.3 CCC(Cl)C(N)=O Amb21618713 [2,0,0,0,0,0|2,0,0]=4 2489 B6R0.3 CCC(F)C(C)=O Amb24736393 [2,0,0,0,0,0|2,0,0]=4 2490 B6R0.3 CCC(F)C(N)=O Amb25811426 [2,0,0,0,0,0|2,0,0]=4 2491 B6R0.3 CCC(F)C(O)=O Amb25716167 [2,0,0,0,0,0|1,0,0]=3 2492 B6R0.3 CCC(I)C(N)=O Amb25131171 [2,0,0,0,0,0|2,0,0]=4 2493 B6R0.3 CCC(N)C(=O)S Amb24479075 [2,0,0,0,0,0|0,1,0]=3 2494 B6R0.3 CCC(N)C(C)=O Amb18202785 [2,0,0,0,0,0|1,0,0]=3 2495 B6R0.3 CCC(N)C(N)=S Amb24573684 [2,0,0,0,0,0|1,1,0]=4 2496 B6R0.3 CCC(N)P(O)=O Amb25269903 [2,0,0,0,0,0|1,0,0]=3 2497 B6R0.3 CCC(O)C(C)=O Amb25336501 [2,0,0,0,0,0|2,0,0]=4 2498 B6R0.3 CCC(O)C(N)=O Amb24116514 [2,0,0,0,0,0|2,0,0]=4 2499 B6R0.3 CCC(O)C(O)=O Amb22352315 [2,0,0,0,0,0|1,0,0]=3 2500 B6R0.3 CCC(O)C(O)=O Amb22360643 [2,0,0,0,0,0|1,0,0]=3 2501 B6R0.3 CCC(O)C([O-])=O Amb17943026 [2,0,0,0,0,0|1,0,1]=4 2502 B6R0.3 CCC(O)C([O-])=O Amb24325325 [2,0,0,0,0,0|1,0,1]=4 2503 B6R0.3 CCC(O)P(O)=O Amb25169578 [2,0,0,0,0,0|2,0,0]=4 2504 B6R0.3 CCC(S)C(N)=O Amb24479879 [2,0,0,0,0,0|2,0,0]=4 2505 B6R0.3 CC[C@@H](Br)C(=O)Cl Amb24582761 [2,0,0,0,0,0|2,0,0]=4 2506 B6R0.3 CC[C@@H](Br)C(N)=O Amb25025862 [2,0,0,0,0,0|2,0,0]=4 2507 B6R0.3 CC[C@@H](C)C(=O)Cl Amb24577241 [2,0,0,0,0,0|2,0,0]=4 2508 B6R0.3 CC[C@@H](C)C(N)=O Amb22232008 [2,0,0,0,0,0|2,0,0]=4 2509 B6R0.3 CC[C@@H](Cl)C(N)=O Amb24579535 [2,0,0,0,0,0|2,0,0]=4 2510 B6R0.3 CC[C@@H](Cl)C(O)=O Amb22800493 [2,0,0,0,0,0|1,0,0]=3 2511 B6R0.3 CC[C@@H](F)C(O)=O Amb24669143 [2,0,0,0,0,0|1,0,0]=3 2512 B6R0.3 CC[C@@H](N)C(N)=O Amb22232290 [2,0,0,0,0,0|1,0,0]=3 2513 B6R0.3 CC[C@@H](N)C(N)=O Amb22899979 [2,0,0,0,0,0|1,0,0]=3 2514 B6R0.3 CC[C@@H](O)C(C)=O Amb25108045 [2,0,0,0,0,0|2,0,0]=4 2515 B6R0.3 CC[C@@H](O)C(O)=O Amb22369401 [2,0,0,0,0,0|1,0,0]=3 2516 B6R0.3 CC[C@H](Br)C(N)=O Amb24365914 [2,0,0,0,0,0|2,0,0]=4 2517 B6R0.3 CC[C@H](Br)C(O)=O Amb20242441 [2,0,0,0,0,0|1,0,0]=3 2518 B6R0.3 CC[C@H](C(=O)O)N Amb16233349 [2,0,0,0,0,0|0,0,0]=2 2519 B6R0.3 CC[C@H](C)C(C)=O Amb24706969 [2,0,0,0,0,0|2,0,0]=4 2520 B6R0.3 CC[C@H](Cl)C(=O)Cl Amb24710023 [2,0,0,0,0,0|2,0,0]=4 2521 B6R0.3 CC[C@H](Cl)C(O)=O Amb25190040 [2,0,0,0,0,0|1,0,0]=3 2522 B6R0.3 CC[C@H](F)C(O)=O Amb24479776 [2,0,0,0,0,0|1,0,0]=3 2523 B6R0.3 CC[C@H](O)C(C)=O Amb24332700 [2,0,0,0,0,0|2,0,0]=4 2524 B6R0.3 CC[C@H](O)C(N)=O Amb25858046 [2,0,0,0,0,0|2,0,0]=4 2525 B6R0.3 CNC(C)C(O)=O Amb19373699 [2,0,0,0,0,0|2,0,0]=4 2526 B6R0.3 COC(N)C(N)=O Amb25178891 [2,0,0,0,0,0|1,1,0]=4 2527 B6R0.3 COC(N)C(O)=O Amb24621851 [2,0,0,0,0,0|0,1,0]=3 2528 B6R0.3 COC(O)C(O)=O Amb24479754 [2,0,0,0,0,0|1,1,0]=4 2529 B6R0.3 CSC(=O)C(O)=O Amb24731100 [2,0,0,0,0,0|1,0,1]=4 2530 B6R0.3 CSC(=S)C(O)=O Amb25702678 [2,0,0,0,0,0|1,0,1]=4 2531 B6R0.3 CSC(Br)C(O)=O Amb25169549 [2,0,0,0,0,0|1,0,0]=3 2532 B6R0.3 CSC(C)C(=O)Cl Amb24742667 [2,0,0,0,0,0|2,0,0]=4 2533 B6R0.3 CSC(F)C(O)=O Amb25043740 [2,0,0,0,0,0|1,0,0]=3 2534 B6R0.3 CSC(O)C(C)=O Amb24479166 [2,0,0,0,0,0|2,0,0]=4 2535 B6R0.3 CS[C@@H](C)C(O)=O Amb25173497 [2,0,0,0,0,0|1,0,0]=3 2536 B6R0.3 C[C@@H](C(=O)O)CN Amb10844022 [2,0,0,0,0,0|2,0,0]=4 2537 B6R0.3 C[C@@H](C(=O)O)NC Amb16233347 [2,0,0,0,0,0|2,0,0]=4 2538 B6R0.3 C[C@@H](C(=O)O)NC Amb16233348 [2,0,0,0,0,0|2,0,0]=4 2539 B6R0.3 C[C@@H](CBr)C(O)=O Amb24334368 [2,0,0,0,0,0|2,0,0]=4 2540 B6R0.3 C[C@@H](CN)C(O)=O Amb22756746 [2,0,0,0,0,0|2,0,0]=4 2541 B6R0.3 C[C@@H](CS)C(O)=O Amb24462697 [2,0,0,0,0,0|1,0,0]=3 2542 B6R0.3 C[C@@H](O)[C@@H](N)CC Amb24117049 [2,0,0,0,0,0|1,0,1]=4 2543 B6R0.3 C[C@@H](O)[C@H](N)CC Amb24117050 [2,0,0,0,0,0|1,0,1]=4 2544 B6R0.3 C[C@H](C(=O)O)CCl Amb10844008 [2,0,0,0,0,0|2,0,0]=4 2545 B6R0.3 C[C@H](C(=O)O)NC Amb10844859 [2,0,0,0,0,0|2,0,0]=4 2546 B6R0.3 C[C@H](CCl)C(O)=O Amb25133056 [2,0,0,0,0,0|2,0,0]=4 2547 B6R0.3 C[C@H](CN)C(O)=O Amb24117452 [2,0,0,0,0,0|2,0,0]=4 2548 B6R0.3 C[C@H](CS)C(O)=O Amb25228453 [2,0,0,0,0,0|1,0,0]=3 2549 B6R0.3 NC(C#N)C(O)=O Amb25328320 [2,0,0,0,0,0|1,0,1]=4 2550 B6R0.3 NC(C(=O)N)CO Amb17593097 [2,0,0,0,0,0|1,1,0]=4 2551 B6R0.3 NC(C(=O)O)CF Amb10839589 [2,0,0,0,0,0|1,0,0]=3 2552 B6R0.3 NC(C(=O)O)CS Amb13961966 [2,0,0,0,0,0|0,0,0]=2 2553 B6R0.3 NC(C=O)C(O)=O Amb24349579 [2,0,0,0,0,0|0,1,1]=4 2554 B6R0.3 NC(C=S)C(O)=O Amb25227802 [2,0,0,0,0,0|0,0,2]=4 2555 B6R0.3 NC(CCl)C(O)=O Amb19651457 [2,0,0,0,0,0|1,0,0]=3 2556 B6R0.3 NC(CCl)C(O)=O Amb21961077 [2,0,0,0,0,0|1,0,0]=3 2557 B6R0.3 NC(CI)C(O)=O Amb25177412 [2,0,0,0,0,0|1,0,0]=3 2558 B6R0.3 NC(CO)[13C](O)=O Amb22353217 [2,0,0,0,0,0|0,1,0]=3 2559 B6R0.3 NC(CS)C(N)=O Amb18641990 [2,0,0,0,0,0|1,0,0]=3 2560 B6R0.3 NC(CS)C(O)=O Amb22489523 [2,0,0,0,0,0|0,0,0]=2 2561 B6R0.3 NC(CS)P(O)=O Amb25772157 [2,0,0,0,0,0|1,0,0]=3 2562 B6R0.3 NC([13CH2]S)C(O)=O Amb22054824 [2,0,0,0,0,0|0,0,0]=2 2563 B6R0.3 NCC(C(=O)O)Cl Amb17593263 [2,0,0,0,0,0|2,0,0]=4 2564 B6R0.3 NCC(C(=O)O)S Amb17593238 [2,0,0,0,0,0|2,0,0]=4 2565 B6R0.3 NCC(F)C(O)=O Amb22733051 [2,0,0,0,0,0|2,0,0]=4 2566 B6R0.3 NCC(N)C(N)=O Amb18122079 [2,0,0,0,0,0|2,0,0]=4 2567 B6R0.3 NCC(N)C(O)=O Amb22899095 [2,0,0,0,0,0|1,0,0]=3 2568 B6R0.3 NC[C@@H](F)C(O)=O Amb25824168 [2,0,0,0,0,0|2,0,0]=4 2569 B6R0.3 NC[C@@H](N)C(O)=O Amb22745957 [2,0,0,0,0,0|1,0,0]=3 2570 B6R0.3 NC[C@@H](O)C(O)=O Amb22169412 [2,0,0,0,0,0|2,0,0]=4 2571 B6R0.3 NC[C@H](N)C(N)=O Amb24470655 [2,0,0,0,0,0|2,0,0]=4 2572 B6R0.3 N[13CH2][13C@H]([13C](=O)O)F Amb17608076 [2,0,0,0,0,0|2,0,0]=4 2573 B6R0.3 N[13CH2][13CH]([13C](=O)O)F Amb17614381 [2,0,0,0,0,0|2,0,0]=4 2574 B6R0.3 N[14CH]([14CH2]O)[14C](O)=O Amb22362940 [2,0,0,0,0,0|0,1,0]=3 2575 B6R0.3 N[C@@H](CCl)C(O)=O Amb22232860 [2,0,0,0,0,0|1,0,0]=3 2576 B6R0.3 N[C@@H](CI)C(O)=O Amb25767583 [2,0,0,0,0,0|1,0,0]=3 2577 B6R0.3 N[C@@H](CO)C(O)=O Amb22351170 [2,0,0,0,0,0|0,1,0]=3 2578 B6R0.3 N[C@@H](CS)C(=O)Cl Amb24562196 [2,0,0,0,0,0|1,0,0]=3 2579 B6R0.3 N[C@@H](CS)C(N)=O Amb23437751 [2,0,0,0,0,0|1,0,0]=3 2580 B6R0.3 N[C@@H](CS)[13C](O)=O Amb22350380 [2,0,0,0,0,0|0,0,0]=2 2581 B6R0.3 N[C@H](C(=O)O)CN Amb16183820 [2,0,0,0,0,0|1,0,0]=3 2582 B6R0.3 N[C@H](CF)C(O)=O Amb24479910 [2,0,0,0,0,0|1,0,0]=3 2583 B6R0.3 N[C@H](CO)C(N)=O Amb22886957 [2,0,0,0,0,0|1,1,0]=4 2584 B6R0.3 N[C@H](CS)C(O)=O Amb17942912 [2,0,0,0,0,0|0,0,0]=2 2585 B6R0.3 OC(=O)C(=O)CS Amb22360785 [2,0,0,0,0,0|1,0,1]=4 2586 B6R0.3 OC(=O)C(Br)CCl Amb24478864 [2,0,0,0,0,0|2,0,0]=4 2587 B6R0.3 OC(=O)C(CF)Br Amb10605519 [2,0,0,0,0,0|2,0,0]=4 2588 B6R0.3 OC(=O)C(Cl)CBr Amb25227429 [2,0,0,0,0,0|2,0,0]=4 2589 B6R0.3 OC(=O)C(Cl)CCl Amb22228245 [2,0,0,0,0,0|2,0,0]=4 2590 B6R0.3 OC(=O)C(Cl)CF Amb24669144 [2,0,0,0,0,0|2,0,0]=4 2591 B6R0.3 OC(=O)C(Cl)CS Amb18643661 [2,0,0,0,0,0|1,0,0]=3 2592 B6R0.3 OC(=O)C(F)CF Amb24746801 [2,0,0,0,0,0|2,0,0]=4 2593 B6R0.3 OC(=O)C(S)CS Amb18643295 [2,0,0,0,0,0|1,0,0]=3 2594 B6R0.3 OC(=O)[C@H](Cl)CCl Amb25141566 [2,0,0,0,0,0|2,0,0]=4 2595 B6R0.3 OC(CBr)C(O)=O Amb24061932 [2,0,0,0,0,0|2,0,0]=4 2596 B6R0.3 OC(CS)C(O)=O Amb18642053 [2,0,0,0,0,0|1,0,0]=3 2597 B6R0.3 OCC(Br)C(O)=O Amb18126327 [2,0,0,0,0,0|1,1,0]=4 2598 B6R0.3 OCC(C(=O)O)F Amb17593117 [2,0,0,0,0,0|1,1,0]=4 2599 B6R0.3 OCC(C(=O)O)O Amb17593103 [2,0,0,0,0,0|1,1,0]=4 2600 B6R0.3 OCC(Cl)C(O)=O Amb18124304 [2,0,0,0,0,0|1,1,0]=4 2601 B6R0.3 OC[C@@H](C(=O)O)Br Amb10601700 [2,0,0,0,0,0|1,1,0]=4 2602 B6R0.3 OC[C@@H](C(=O)O)C Amb10844567 [2,0,0,0,0,0|1,1,0]=4 2603 B6R0.3 OC[C@H](C(=O)O)C Amb10844554 [2,0,0,0,0,0|1,1,0]=4 2604 B6R0.3 OC[C@H](O)C(O)=O Amb22226732 [2,0,0,0,0,0|1,1,0]=4 2605 B6R0.3 O[C@@H](CCl)C(O)=O Amb22225325 [2,0,0,0,0,0|2,0,0]=4 2606 B6R0.3 O[C@@H](CF)C(O)=O Amb24117272 [2,0,0,0,0,0|2,0,0]=4 2607 B6R0.3 O[C@@H](CS)C(O)=O Amb24428282 [2,0,0,0,0,0|1,0,0]=3 2608 B6R0.3 O[C@H](CCl)C(O)=O Amb22388611 [2,0,0,0,0,0|2,0,0]=4 2609 B6R0.3 [13CH3][13CH2][13CH](O)[13C](O)=O Amb22350316 [2,0,0,0,0,0|1,0,0]=3 2610 B6R0.3 [15NH2][13C@@H]([13CH2]S)[13C](O)=O Amb22354011 [2,0,0,0,0,0|0,0,0]=2 2611 B6R0.3 [15NH2][C@@H](CO)C(O)=O Amb22353589 [2,0,0,0,0,0|0,1,0]=3 2612 B6R0.3 [O-]C(=O)[C@H](C[S-])N Amb17621353 [2,0,0,0,0,0|0,0,2]=4 2613 B8R0.1 CCCCC(C)CC=O Amb18642676 [1,1,0,0,0,0|2,0,0]=4 2614 B8R0.1 CCCCC(C)NC=O Amb24562841 [1,1,0,0,0,0|2,0,0]=4 2615 B8R0.1 CCCCC(C)OC=O Amb22731654 [1,1,0,0,0,0|2,0,0]=4 2616 B8R0.1 CCCCC(C)\C=C\O Amb25747407 [1,1,0,0,0,0|2,0,0]=4 2617 B8R0.1 CCCCC(N)C=C=C Amb24332456 [1,1,0,0,0,0|2,0,0]=4 2618 B8R0.1 CCCCC(N)CC=C Amb25082468 [1,1,0,0,0,0|2,0,0]=4 2619 B8R0.1 CCCCC(N)CCO Amb18642854 [1,1,0,0,0,0|1,0,1]=4 2620 B8R0.1 CCCCC(N)CCO Amb24117271 [1,1,0,0,0,0|1,0,1]=4 2621 B8R0.1 CCCCC(N)COC Amb19374470 [1,1,0,0,0,0|1,0,1]=4 2622 B8R0.1 CCCC[C@@H](N)CC=C Amb25118429 [1,1,0,0,0,0|2,0,0]=4 2623 B8R0.1 CCCC[C@@H](N)CCO Amb22745144 [1,1,0,0,0,0|1,0,1]=4 2624 B8R0.1 CCCC[C@@H](N)CCO Amb22748774 [1,1,0,0,0,0|1,0,1]=4 2625 B8R0.1 CCCC[C@H](C)CC=O Amb25269517 [1,1,0,0,0,0|2,0,0]=4 2626 B8R0.1 CCCC[C@H](N)CC=C Amb24524170 [1,1,0,0,0,0|2,0,0]=4 2627 B8R0.1 CNC[C@@H](N)CCSC Amb25099012 [1,1,0,0,0,0|1,0,1]=4 2628 B8R0.1 COCC(N)CCOC Amb25101769 [1,1,0,0,0,0|0,1,1]=4 2629 B8R0.1 COCC(N)CCSC Amb25246348 [1,1,0,0,0,0|0,0,1]=3 2630 B8R0.1 COCC(O)CCSC Amb24401988 [1,1,0,0,0,0|1,0,1]=4 2631 B8R0.1 COCCC(C)CC=O Amb24358520 [1,1,0,0,0,0|1,1,0]=4 2632 B8R0.1 COCCC(C)NC=O Amb25807721 [1,1,0,0,0,0|1,1,0]=4 2633 B8R0.1 CSCCC(N)CC#C Amb24456421 [1,1,0,0,0,0|1,0,1]=4 2634 B8R0.1 CSCCC(N)CC=C Amb24687221 [1,1,0,0,0,0|1,0,0]=3 2635 B8R0.1 CSCCN(C)CC=O Amb24395940 [1,1,0,0,0,0|2,0,0]=4 2636 B8R0.1 CSCC[C@H](N)NC=O Amb24386053 [1,1,0,0,0,0|0,0,0]=2 2637 B8R0.3 CC(C(CCC)O)C=O Amb17593375 [1,1,0,0,0,0|2,0,0]=4 2638 B8R0.3 CC(C=O)C(C)COC Amb24340214 [1,1,0,0,0,0|1,1,0]=4 2639 B8R0.3 CC(CCC)C(Cl)C=O Amb18643960 [1,1,0,0,0,0|2,0,0]=4 2640 B8R0.3 CC(CCC)C(F)C=O Amb24469379 [1,1,0,0,0,0|2,0,0]=4 2641 B8R0.3 CC(CCC)C(O)C=O Amb25051559 [1,1,0,0,0,0|2,0,0]=4 2642 B8R0.3 CC(CSC)C(N)C#C Amb25728133 [1,1,0,0,0,0|1,0,1]=4 2643 B8R0.3 CCCC(O)C(N)C=C Amb25349539 [1,1,0,0,0,0|2,0,0]=4 2644 B8R0.3 CCCC(O)C(N)CO Amb24478778 [1,1,0,0,0,0|1,0,1]=4 2645 B8R0.3 CCCC(O)[C@H](N)CO Amb24476676 [1,1,0,0,0,0|1,0,1]=4 2646 B8R0.3 CCC[C@@H](C)[C@@H](C)C=O Amb25239384 [1,1,0,0,0,0|2,0,0]=4 2647 B8R0.3 CCC[C@@H](O)[C@@H](N)C=C Amb25303514 [1,1,0,0,0,0|2,0,0]=4 2648 B8R0.3 CCC[C@@H](O)[C@@H](N)CO Amb24120428 [1,1,0,0,0,0|1,0,1]=4 2649 B8R0.3 CCC[C@@H](O)[C@H](N)CO Amb24561952 [1,1,0,0,0,0|1,0,1]=4 2650 B8R0.3 CCC[C@H](O)[C@H](N)CO Amb25113696 [1,1,0,0,0,0|1,0,1]=4 2651 B8R0.3 COCC(O)C(O)C=O Amb25093758 [1,1,0,0,0,0|1,1,0]=4 2652 B8R0.3 COC[C@@H](O)[C@@H](O)C=O Amb24678218 [1,1,0,0,0,0|1,1,0]=4 2653 B8R0.3 CSC[C@H](O)[C@@H](N)CO Amb24399288 [1,1,0,0,0,0|0,0,1]=3 2654 B8R0.3 C[C@@H](CCC)[C@H](N)CO Amb25367220 [1,1,0,0,0,0|1,0,1]=4 2655 B8R0.6 C#CCCCC(N)C=O Amb25327827 [1,1,0,0,0,0|1,0,1]=4 2656 B8R0.6 CC#CCCC(C)C=O Amb24600856 [1,1,0,0,0,0|2,0,0]=4 2657 B8R0.6 CC#CCCC(N)CO Amb25229584 [1,1,0,0,0,0|1,0,1]=4 2658 B8R0.6 CC(CCCCCl)C=O Amb24428839 [1,1,0,0,0,0|2,0,0]=4 2659 B8R0.6 CC(CCCCO)C=O Amb25072654 [1,1,0,0,0,0|2,0,0]=4 2660 B8R0.6 CCC(N)CCCSC Amb24709842 [1,1,0,0,0,0|1,0,1]=4 2661 B8R0.6 CCC(N)CCSCC Amb24518047 [1,1,0,0,0,0|1,0,1]=4 2662 B8R0.6 CCCCCC(C=O)Br Amb17595055 [1,1,0,0,0,0|2,0,0]=4 2663 B8R0.6 CCCCCC(C=O)C Amb17593349 [1,1,0,0,0,0|2,0,0]=4 2664 B8R0.6 CCCCCC(Cl)C=O Amb18643792 [1,1,0,0,0,0|2,0,0]=4 2665 B8R0.6 CCCCCC(N)C=C Amb18642554 [1,1,0,0,0,0|2,0,0]=4 2666 B8R0.6 CCCCCC(N)CO Amb24524295 [1,1,0,0,0,0|1,0,1]=4 2667 B8R0.6 CCCCCC(O)C=O Amb18642802 [1,1,0,0,0,0|2,0,0]=4 2668 B8R0.6 CCCCC[C@@H](N)CO Amb24473164 [1,1,0,0,0,0|1,0,1]=4 2669 B8R0.6 CCCCC[C@@H](O)C=O Amb24653719 [1,1,0,0,0,0|2,0,0]=4 2670 B8R0.6 CCCCC[C@H](C)C=O Amb25717736 [1,1,0,0,0,0|2,0,0]=4 2671 B8R0.6 CCCCOC(C)C=O Amb18642805 [1,1,0,0,0,0|2,0,0]=4 2672 B8R0.6 CCCCSC(C)C=O Amb18644295 [1,1,0,0,0,0|2,0,0]=4 2673 B8R0.6 CCCOCC(N)C=C Amb24478664 [1,1,0,0,0,0|2,0,0]=4 2674 B8R0.6 CCCOCC(N)CO Amb24681930 [1,1,0,0,0,0|1,0,1]=4 2675 B8R0.6 CCCOCC(O)C=O Amb25217476 [1,1,0,0,0,0|2,0,0]=4 2676 B8R0.6 CCCOC[C@@H](N)CO Amb25363717 [1,1,0,0,0,0|1,0,1]=4 2677 B8R0.6 CCCSCC(N)C=C Amb25706335 [1,1,0,0,0,0|2,0,0]=4 2678 B8R0.6 CCOCCC(N)C=C Amb25026264 [1,1,0,0,0,0|1,1,0]=4 2679 B8R0.6 CCOCCC(N)C=O Amb25743805 [1,1,0,0,0,0|0,1,0]=3 2680 B8R0.6 CCOCCC(N)CO Amb24388796 [1,1,0,0,0,0|0,1,1]=4 2681 B8R0.6 CCSCCC(N)C#N Amb19036835 [1,1,0,0,0,0|1,0,1]=4 2682 B8R0.6 CCSCCC(N)CF Amb25233183 [1,1,0,0,0,0|1,0,1]=4 2683 B8R0.6 CCSCCC(N)CO Amb25820753 [1,1,0,0,0,0|0,0,1]=3 2684 B8R0.6 CCSCCC(O)CO Amb24470380 [1,1,0,0,0,0|1,0,1]=4 2685 B8R0.6 COCCCC(O)C=O Amb25792325 [1,1,0,0,0,0|1,1,0]=4 2686 B8R0.6 COCOC[C@@H](N)CO Amb25800330 [1,1,0,0,0,0|0,1,1]=4 2687 B8R0.6 CSCCCC(N)=NO Amb25324485 [1,1,0,0,0,0|1,0,1]=4 2688 B8R0.6 CSCCCC(N)CN Amb24670821 [1,1,0,0,0,0|1,0,1]=4 2689 B8R0.6 CSCCCC(O)C=C Amb25327172 [1,1,0,0,0,0|2,0,0]=4 2690 B8R0.6 CSCCCN(C)C=O Amb25784553 [1,1,0,0,0,0|2,0,0]=4 2691 B8R0.6 CSCCNC(C)C=C Amb24430244 [1,1,0,0,0,0|2,0,0]=4 2692 B8R0.6 CSCCSC(C)CO Amb25681739 [1,1,0,0,0,0|1,0,1]=4 2693 B8R0.6 CSCSCC(N)CO Amb25147057 [1,1,0,0,0,0|0,0,1]=3 2694 B8R0.6 CSCSC[C@@H](N)CO Amb24390968 [1,1,0,0,0,0|0,0,1]=3 2695 B8R0.6 CSCSC[C@H](N)CO Amb25147126 [1,1,0,0,0,0|0,0,1]=3 2696 B8R0.6 C\C=C\CCC(C)C=O Amb24512913 [1,1,0,0,0,0|2,0,0]=4 2697 B8R0.6 NC(CO)CCCCF Amb24689590 [1,1,0,0,0,0|1,0,1]=4 2698 B8R0.6 NCCCC[C@@H](N)CO Amb22745902 [1,1,0,0,0,0|1,0,1]=4 2699 B8R0.6 NCCCC[C@@H](N)CO Amb22899644 [1,1,0,0,0,0|1,0,1]=4 2700 B8R0.6 NCCCC[C@@H](N)CO Amb22899645 [1,1,0,0,0,0|1,0,1]=4 2701 B8R0.6 N[C@@H](CCCCO)CO Amb25146173 [1,1,0,0,0,0|1,0,1]=4 2702 B8R0.6 OCCCCC(CO)N Amb17593402 [1,1,0,0,0,0|1,0,1]=4 2703 B8R0.9 CC(=C)CCC(N)CO Amb25775333 [1,1,0,0,0,0|1,0,1]=4 2704 B8R0.9 CC(=O)CCC(Cl)C=O Amb25275061 [1,1,0,0,0,0|2,0,0]=4 2705 B8R0.9 CC(=O)CCC(N)CO Amb25257834 [1,1,0,0,0,0|1,0,1]=4 2706 B8R0.9 CC(C)CCC(Br)C=O Amb24480019 [1,1,0,0,0,0|2,0,0]=4 2707 B8R0.9 CC(C)CCC(C)C=O Amb24478638 [1,1,0,0,0,0|2,0,0]=4 2708 B8R0.9 CC(C)CCC(N)C=C Amb24478663 [1,1,0,0,0,0|2,0,0]=4 2709 B8R0.9 CC(C)CCC(N)CO Amb18832528 [1,1,0,0,0,0|1,0,1]=4 2710 B8R0.9 CC(C)CCC(O)C=O Amb24607253 [1,1,0,0,0,0|2,0,0]=4 2711 B8R0.9 CC(CCC(C)=C)C=O Amb18642470 [1,1,0,0,0,0|2,0,0]=4 2712 B8R0.9 CC(CCC(C)=O)C=O Amb18642612 [1,1,0,0,0,0|2,0,0]=4 2713 B8R0.9 CC(CCC(C)O)C=O Amb25781383 [1,1,0,0,0,0|2,0,0]=4 2714 B8R0.9 CC(O)CCC(O)C=O Amb18642880 [1,1,0,0,0,0|2,0,0]=4 2715 B8R0.9 CN(C)CCC(F)C=O Amb25836712 [1,1,0,0,0,0|2,0,0]=4 2716 B8R0.9 CN(C)CCC(N)C=C Amb25185375 [1,1,0,0,0,0|2,0,0]=4 2717 B8R0.9 C[C@@H](CCC(C)=O)C=O Amb24441758 [1,1,0,0,0,0|2,0,0]=4 2718 B8R0.9 N[C@@H](CCC(N)=O)C=O Amb25104754 [1,1,0,0,0,0|2,0,0]=4 2719 B8R0.9 N[C@@H](CCC(O)=O)C=O Amb24347675 [1,1,0,0,0,0|2,0,0]=4 2720 B8R0.11 CCCCC(C=C)C=O Amb18642451 [1,1,0,0,0,0|2,0,0]=4 2721 B8R0.11 CCCCC(C=O)C=O Amb24365233 [1,1,0,0,0,0|2,0,0]=4 2722 B8R0.11 CCCCC(C=O)ON Amb24378311 [1,1,0,0,0,0|1,0,0]=3 2723 B8R0.11 CCCCC(C=O)SC Amb18124546 [1,1,0,0,0,0|2,0,0]=4 2724 B8R0.11 CCCCC(CN)C=C Amb18642552 [1,1,0,0,0,0|2,0,0]=4 2725 B8R0.11 CCCCC(CO)NC Amb24120141 [1,1,0,0,0,0|1,0,1]=4 2726 B8R0.11 CCCCC(CO)NN Amb24641344 [1,1,0,0,0,0|1,0,1]=4 2727 B8R0.11 CCCC[C@H](CO)NC Amb25737791 [1,1,0,0,0,0|1,0,1]=4 2728 B8R0.11 CNC(CCSC)C#N Amb19003939 [1,1,0,0,0,0|1,0,1]=4 2729 B8R0.11 COC(CCSC)C=O Amb24678003 [1,1,0,0,0,0|1,0,0]=3 2730 B8R0.11 COC(CN)CCSC Amb24685780 [1,1,0,0,0,0|2,0,0]=4 2731 B8R0.11 COCCC(C=O)OC Amb25081460 [1,1,0,0,0,0|1,1,0]=4 2732 B8R0.11 CSCCC(CO)C#N Amb25092347 [1,1,0,0,0,0|0,0,2]=4 2733 B8R0.19 CC(CC(Br)C=O)CC Amb25249112 [1,1,0,0,0,0|2,0,0]=4 2734 B8R0.19 CC(CC(N)C=C)OC Amb25188994 [1,1,0,0,0,0|1,1,0]=4 2735 B8R0.19 CC(CC(N)CO)CC Amb24721873 [1,1,0,0,0,0|1,0,1]=4 2736 B8R0.19 CCC(C)CC(C)C=O Amb18642673 [1,1,0,0,0,0|2,0,0]=4 2737 B8R0.19 CCC(O)CC(O)C=O Amb25770125 [1,1,0,0,0,0|2,0,0]=4 2738 B8R0.19 CC[C@@H](C)CC(C)C=O Amb24378509 [1,1,0,0,0,0|2,0,0]=4 2739 B8R0.19 CC[C@@H](C)C[C@H](C)C=O Amb24558292 [1,1,0,0,0,0|2,0,0]=4 2740 B8R0.19 CC[C@H](C)C[C@@H](C)C=O Amb25195051 [1,1,0,0,0,0|2,0,0]=4 2741 B8R0.19 C[C@@H](C[C@H](N)CO)CC Amb25231217 [1,1,0,0,0,0|1,0,1]=4 2742 B8R0.25 CC(C=O)(CCCC)O Amb10558485 [1,1,0,0,0,0|2,0,0]=4 2743 B8R0.25 CCCCC(C)(C)C=O Amb18642677 [1,1,0,0,0,0|2,0,0]=4 2744 B8R0.25 CCCC[C@@](C)(N)CO Amb24477829 [1,1,0,0,0,0|1,0,1]=4 2745 B8R0.25 CCCC[C@](C)(O)C=O Amb25338064 [1,1,0,0,0,0|2,0,0]=4 2746 B8R0.25 COCCC(C)(C)C=O Amb25124218 [1,1,0,0,0,0|1,1,0]=4 2747 B8R0.25 COCCC(C)(N)CO Amb24119980 [1,1,0,0,0,0|0,1,1]=4 2748 B8R0.25 CSCCC(C)(C)C=O Amb25162052 [1,1,0,0,0,0|1,0,0]=3 2749 B8R0.25 CSCCC(C)(N)C#N Amb18294426 [1,1,0,0,0,0|1,0,1]=4 2750 B8R0.25 CSCCC(C)(N)CO Amb24645461 [1,1,0,0,0,0|0,0,1]=3 2751 B8R0.5 C#CC[C@@H](N)CC(O)=O Amb22746284 [1,1,0,0,0,0|1,0,1]=4 2752 B8R0.5 C#CC[C@@H](N)CC(O)=O Amb24539924 [1,1,0,0,0,0|1,0,1]=4 2753 B8R0.5 C#CC[C@H](N)CC(O)=O Amb22226648 [1,1,0,0,0,0|1,0,1]=4 2754 B8R0.5 C#CC[C@H](N)CC(O)=O Amb24642007 [1,1,0,0,0,0|1,0,1]=4 2755 B8R0.5 C=CCC(N)CC(O)=O Amb22641964 [1,1,0,0,0,0|1,0,1]=4 2756 B8R0.5 C=CCC(O)CC(O)=O Amb18642785 [1,1,0,0,0,0|1,0,1]=4 2757 B8R0.5 C=CC[C@@H](CC(=O)O)C Amb10844371 [1,1,0,0,0,0|1,0,1]=4 2758 B8R0.5 C=CC[C@@H](N)CC(O)=O Amb22746166 [1,1,0,0,0,0|1,0,1]=4 2759 B8R0.5 C=CC[C@H](CC(=O)O)C Amb10844336 [1,1,0,0,0,0|1,0,1]=4 2760 B8R0.5 CC(CC#N)CC(O)=O Amb18642506 [1,1,0,0,0,0|2,0,0]=4 2761 B8R0.5 CC(CC=C)CC(O)=O Amb18642628 [1,1,0,0,0,0|1,0,1]=4 2762 B8R0.5 CC(CCF)CC(O)=O Amb24477914 [1,1,0,0,0,0|2,0,0]=4 2763 B8R0.5 CC(CCN)CC(O)=O Amb20667689 [1,1,0,0,0,0|2,0,0]=4 2764 B8R0.5 CC(CCN)CC(O)=O Amb24376646 [1,1,0,0,0,0|2,0,0]=4 2765 B8R0.5 CC(CCO)CC(O)=O Amb18642882 [1,1,0,0,0,0|2,0,0]=4 2766 B8R0.5 CC(CSC)=CC(O)=O Amb25364860 [1,1,0,0,0,0|0,0,2]=4 2767 B8R0.5 CC(NCC)CC(=O)O Amb13952759 [1,1,0,0,0,0|2,0,0]=4 2768 B8R0.5 CCCC(=C)CC(O)=O Amb18642622 [1,1,0,0,0,0|1,0,1]=4 2769 B8R0.5 CCCC(Br)CC(O)=O Amb18127175 [1,1,0,0,0,0|1,0,0]=3 2770 B8R0.5 CCCC(C)CC(C)=O Amb22229841 [1,1,0,0,0,0|2,0,0]=4 2771 B8R0.5 CCCC(C)CC(N)=O Amb25146057 [1,1,0,0,0,0|2,0,0]=4 2772 B8R0.5 CCCC(CC(=O)C)O Amb17593376 [1,1,0,0,0,0|2,0,0]=4 2773 B8R0.5 CCCC(CC(=O)O)N Amb1993864 [1,1,0,0,0,0|1,0,0]=3 2774 B8R0.5 CCCC(N)CC(N)=O Amb25128031 [1,1,0,0,0,0|2,0,0]=4 2775 B8R0.5 CCCC(N)CC(O)=O Amb21961469 [1,1,0,0,0,0|1,0,0]=3 2776 B8R0.5 CCCC(O)CC(N)=O Amb25072270 [1,1,0,0,0,0|2,0,0]=4 2777 B8R0.5 CCCN(C)CC(O)=O Amb19373314 [1,1,0,0,0,0|2,0,0]=4 2778 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [1,1,0,0,0,0|2,0,0]=4 2779 B8R0.5 CCC[C@@H](C)CC(N)=O Amb24761385 [1,1,0,0,0,0|2,0,0]=4 2780 B8R0.5 CCC[C@@H](C)CC(O)=O Amb24622486 [1,1,0,0,0,0|1,0,0]=3 2781 B8R0.5 CCC[C@@H](CC(=O)O)C Amb10844381 [1,1,0,0,0,0|1,0,0]=3 2782 B8R0.5 CCC[C@@H](N)CC(O)=O Amb22225223 [1,1,0,0,0,0|1,0,0]=3 2783 B8R0.5 CCC[C@@H](N)CC(O)=O Amb24739278 [1,1,0,0,0,0|1,0,0]=3 2784 B8R0.5 CCC[C@@H](O)CC(C)=O Amb25190233 [1,1,0,0,0,0|2,0,0]=4 2785 B8R0.5 CCC[C@@H](O)CC(O)=O Amb25188904 [1,1,0,0,0,0|1,0,0]=3 2786 B8R0.5 CCC[C@H](C)CC(N)=O Amb25340178 [1,1,0,0,0,0|2,0,0]=4 2787 B8R0.5 CCC[C@H](N)CC(O)=O Amb22226359 [1,1,0,0,0,0|1,0,0]=3 2788 B8R0.5 CCC[C@H](O)CC(O)=O Amb25367955 [1,1,0,0,0,0|1,0,0]=3 2789 B8R0.5 CCO[C@H](C)CC(O)=O Amb24395833 [1,1,0,0,0,0|2,0,0]=4 2790 B8R0.5 CNCC(C)CC(O)=O Amb25284797 [1,1,0,0,0,0|1,0,0]=3 2791 B8R0.5 COCC(=O)CC(O)=O Amb24093174 [1,1,0,0,0,0|0,1,1]=4 2792 B8R0.5 COCC(C)CC(O)=O Amb19024342 [1,1,0,0,0,0|0,1,0]=3 2793 B8R0.5 COCC(Cl)CC(=O)Cl Amb25059197 [1,1,0,0,0,0|1,1,0]=4 2794 B8R0.5 COCC(Cl)CC(O)=O Amb24627002 [1,1,0,0,0,0|0,1,0]=3 2795 B8R0.5 COCC(O)CC(O)=O Amb18832518 [1,1,0,0,0,0|0,1,0]=3 2796 B8R0.5 COC[C@@H](C)CC(O)=O Amb25064328 [1,1,0,0,0,0|0,1,0]=3 2797 B8R0.5 CSCC(C)NC(C)=O Amb24481592 [1,1,0,0,0,0|2,0,0]=4 2798 B8R0.5 CSCC(C)OC(C)=O Amb24450062 [1,1,0,0,0,0|2,0,0]=4 2799 B8R0.5 CSCC(Cl)CC(O)=O Amb18126320 [1,1,0,0,0,0|0,0,0]=2 2800 B8R0.5 CSCC(N)CC(N)=O Amb25784570 [1,1,0,0,0,0|1,0,0]=3 2801 B8R0.5 CSCC(O)CC(O)=O Amb24621046 [1,1,0,0,0,0|0,0,0]=2 2802 B8R0.5 CSSC(C)CC(O)=O Amb25241180 [1,1,0,0,0,0|1,0,0]=3 2803 B8R0.5 C[C@@H](CCN)CC(O)=O Amb25318051 [1,1,0,0,0,0|2,0,0]=4 2804 B8R0.5 C[C@@H](CCO)CC(O)=O Amb24699186 [1,1,0,0,0,0|2,0,0]=4 2805 B8R0.5 C\C=C\C(C)CC(O)=O Amb24731262 [1,1,0,0,0,0|1,0,1]=4 2806 B8R0.5 C\C=C\[C@@H](C)CC(O)=O Amb25343237 [1,1,0,0,0,0|1,0,1]=4 2807 B8R0.5 C\C=C\[C@H](O)CC(O)=O Amb25312045 [1,1,0,0,0,0|1,0,1]=4 2808 B8R0.5 N#CCC(Br)CC(O)=O Amb25211652 [1,1,0,0,0,0|2,0,0]=4 2809 B8R0.5 N#CC[C@H](O)CC(O)=O Amb25294743 [1,1,0,0,0,0|2,0,0]=4 2810 B8R0.5 NCC[C@@H](CC(=O)O)N Amb10067021 [1,1,0,0,0,0|2,0,0]=4 2811 B8R0.5 NCC[C@H](CC(=O)O)N Amb10067019 [1,1,0,0,0,0|2,0,0]=4 2812 B8R0.5 N[C@@H](CCO)CC(O)=O Amb25851007 [1,1,0,0,0,0|2,0,0]=4 2813 B8R0.7 BrCCCCCC(=O)O Amb2081955 [1,1,0,0,0,0|1,0,0]=3 2814 B8R0.7 C=CCCNCC(O)=O Amb25308652 [1,1,0,0,0,0|1,0,1]=4 2815 B8R0.7 C=CNCCCC(O)=O Amb25146209 [1,1,0,0,0,0|1,0,1]=4 2816 B8R0.7 CC#CCCCC(C)=O Amb24591411 [1,1,0,0,0,0|2,0,0]=4 2817 B8R0.7 CC#CCSCC(O)=O Amb19021078 [1,1,0,0,0,0|1,0,1]=4 2818 B8R0.7 CC(=O)CCCCCF Amb25373197 [1,1,0,0,0,0|2,0,0]=4 2819 B8R0.7 CC(=O)CCCCCN Amb22641918 [1,1,0,0,0,0|2,0,0]=4 2820 B8R0.7 CC(=O)CCCCCN Amb24113384 [1,1,0,0,0,0|2,0,0]=4 2821 B8R0.7 CCCC#CCC(=O)O Amb17593307 [1,1,0,0,0,0|1,0,1]=4 2822 B8R0.7 CCCC/C=C/C(O)=O Amb17778752 [1,1,0,0,0,0|1,0,1]=4 2823 B8R0.7 CCCCCCC([O-])=O Amb22729026 [1,1,0,0,0,0|1,0,1]=4 2824 B8R0.7 CCCCCCS(O)=O Amb25213753 [1,1,0,0,0,0|2,0,0]=4 2825 B8R0.7 CCCCCNC(=O)Cl Amb25087634 [1,1,0,0,0,0|2,0,0]=4 2826 B8R0.7 CCCCCNC(C)=O Amb17797593 [1,1,0,0,0,0|2,0,0]=4 2827 B8R0.7 CCCCCOC(=O)Cl Amb10844803 [1,1,0,0,0,0|2,0,0]=4 2828 B8R0.7 CCCCCOC(C)=O Amb22351262 [1,1,0,0,0,0|2,0,0]=4 2829 B8R0.7 CCCCCOS(O)=O Amb22730504 [1,1,0,0,0,0|2,0,0]=4 2830 B8R0.7 CCCCNCC(=O)N Amb1126543 [1,1,0,0,0,0|2,0,0]=4 2831 B8R0.7 CCCCOCC(=O)Cl Amb25806749 [1,1,0,0,0,0|2,0,0]=4 2832 B8R0.7 CCCCSCC(=O)O Amb1138789 [1,1,0,0,0,0|1,0,0]=3 2833 B8R0.7 CCCNCCC(=O)O Amb2372065 [1,1,0,0,0,0|1,0,0]=3 2834 B8R0.7 CCCNCCC(C)=O Amb24700442 [1,1,0,0,0,0|2,0,0]=4 2835 B8R0.7 CCCNCCC(N)=O Amb19960057 [1,1,0,0,0,0|2,0,0]=4 2836 B8R0.7 CCCNCCC(O)=O Amb18633174 [1,1,0,0,0,0|1,0,0]=3 2837 B8R0.7 CCCSCCC(N)=O Amb24333543 [1,1,0,0,0,0|2,0,0]=4 2838 B8R0.7 CCCSSCC(O)=O Amb25209982 [1,1,0,0,0,0|2,0,0]=4 2839 B8R0.7 CCC\C=C\CC(O)=O Amb18642602 [1,1,0,0,0,0|1,0,1]=4 2840 B8R0.7 CCNCCCC(C)=O Amb24093735 [1,1,0,0,0,0|2,0,0]=4 2841 B8R0.7 CCNCCCC(N)=O Amb24709859 [1,1,0,0,0,0|2,0,0]=4 2842 B8R0.7 CCOCCCC(N)=O Amb25841206 [1,1,0,0,0,0|1,1,0]=4 2843 B8R0.7 CCOCOCC(O)=O Amb25682215 [1,1,0,0,0,0|1,1,0]=4 2844 B8R0.7 CCOCSCC(O)=O Amb25147004 [1,1,0,0,0,0|1,1,0]=4 2845 B8R0.7 CCSCCCB(O)O Amb24351131 [1,1,0,0,0,0|1,0,1]=4 2846 B8R0.7 CCSCCOC(=O)Cl Amb24382779 [1,1,0,0,0,0|2,0,0]=4 2847 B8R0.7 CCSCCOC(C)=O Amb24459072 [1,1,0,0,0,0|2,0,0]=4 2848 B8R0.7 CCSC\C=C\C(O)=O Amb19020657 [1,1,0,0,0,0|0,0,2]=4 2849 B8R0.7 CC\C=C/CCC(O)=O Amb25831265 [1,1,0,0,0,0|1,0,1]=4 2850 B8R0.7 CC\C=C\CCC(O)=O Amb18642608 [1,1,0,0,0,0|1,0,1]=4 2851 B8R0.7 CNCCCCC(=O)O Amb10605773 [1,1,0,0,0,0|1,0,0]=3 2852 B8R0.7 CNCCCCC(C)=O Amb18642717 [1,1,0,0,0,0|2,0,0]=4 2853 B8R0.7 CNCCCCC(O)=O Amb24340485 [1,1,0,0,0,0|1,0,0]=3 2854 B8R0.7 CNCCCNC(C)=O Amb19346187 [1,1,0,0,0,0|2,0,0]=4 2855 B8R0.7 CNCCCSC(C)=O Amb25197778 [1,1,0,0,0,0|2,0,0]=4 2856 B8R0.7 CNCCNCC(O)=O Amb25211792 [1,1,0,0,0,0|1,0,0]=3 2857 B8R0.7 CNCCOCC(C)=O Amb18111838 [1,1,0,0,0,0|2,0,0]=4 2858 B8R0.7 CNCCOCC(O)=O Amb18630741 [1,1,0,0,0,0|1,0,0]=3 2859 B8R0.7 COCCCNC(=O)N Amb1105274 [1,1,0,0,0,0|1,1,0]=4 2860 B8R0.7 COCCCOC(C)=O Amb22732978 [1,1,0,0,0,0|1,1,0]=4 2861 B8R0.7 COCCNCC(=O)N Amb13951972 [1,1,0,0,0,0|1,1,0]=4 2862 B8R0.7 COCCNCC(O)=O Amb19514667 [1,1,0,0,0,0|0,1,0]=3 2863 B8R0.7 COCC\C=C\C(O)=O Amb24532833 [1,1,0,0,0,0|0,1,1]=4 2864 B8R0.7 COCOCCC(C)=O Amb25809981 [1,1,0,0,0,0|1,1,0]=4 2865 B8R0.7 CONCCCC(O)=O Amb24647348 [1,1,0,0,0,0|0,1,0]=3 2866 B8R0.7 CSCCCCC(=O)O Amb17503764 [1,1,0,0,0,0|0,0,0]=2 2867 B8R0.7 CSCCCCC(N)=N Amb24332089 [1,1,0,0,0,0|2,0,0]=4 2868 B8R0.7 CSCCCNC(C)=O Amb24546713 [1,1,0,0,0,0|1,0,0]=3 2869 B8R0.7 CSCCCNC(N)=N Amb25255905 [1,1,0,0,0,0|2,0,0]=4 2870 B8R0.7 CSCCCNC(N)=O Amb25265571 [1,1,0,0,0,0|1,0,0]=3 2871 B8R0.7 CSCCCNC(N)=S Amb25742221 [1,1,0,0,0,0|1,1,0]=4 2872 B8R0.7 CSCCCNC(S)=S Amb25200265 [1,1,0,0,0,0|0,2,0]=4 2873 B8R0.7 CSCCCOC(=O)Cl Amb25810712 [1,1,0,0,0,0|1,0,0]=3 2874 B8R0.7 CSCCCSC(N)=N Amb24481620 [1,1,0,0,0,0|2,0,0]=4 2875 B8R0.7 CSCCNCC(C)O Amb25681928 [1,1,0,0,0,0|1,0,1]=4 2876 B8R0.7 CSCCNCC(O)=O Amb24401934 [1,1,0,0,0,0|0,0,0]=2 2877 B8R0.7 CSCCNC[C@H](C)O Amb25758316 [1,1,0,0,0,0|1,0,1]=4 2878 B8R0.7 CSCCOCC(=C)Br Amb25095072 [1,1,0,0,0,0|2,0,0]=4 2879 B8R0.7 CSCCOCC(C)=O Amb24333557 [1,1,0,0,0,0|1,0,0]=3 2880 B8R0.7 CSCCOCC(N)=O Amb24730448 [1,1,0,0,0,0|1,0,0]=3 2881 B8R0.7 CSCCSCC(C)O Amb24504419 [1,1,0,0,0,0|1,0,1]=4 2882 B8R0.7 CSCCSC[C@@H](C)O Amb25110231 [1,1,0,0,0,0|1,0,1]=4 2883 B8R0.7 CSC\C=C/CC(O)=O Amb18644292 [1,1,0,0,0,0|0,0,1]=3 2884 B8R0.7 CSSCCCC(O)=O Amb25269470 [1,1,0,0,0,0|0,0,0]=2 2885 B8R0.7 CSSCCNC(N)=O Amb24748373 [1,1,0,0,0,0|2,0,0]=4 2886 B8R0.7 C\C=C/CCCC(O)=O Amb25314407 [1,1,0,0,0,0|1,0,0]=3 2887 B8R0.7 C\C=C\CCCC(C)=O Amb24466633 [1,1,0,0,0,0|2,0,0]=4 2888 B8R0.7 C\C=C\CCCC(N)=O Amb24358851 [1,1,0,0,0,0|2,0,0]=4 2889 B8R0.7 C\C=C\CCCC(O)=O Amb18642615 [1,1,0,0,0,0|1,0,0]=3 2890 B8R0.7 ClCCCCCC(=O)Cl Amb10844967 [1,1,0,0,0,0|2,0,0]=4 2891 B8R0.7 N#CCCCCC(=O)O Amb17593332 [1,1,0,0,0,0|1,0,1]=4 2892 B8R0.7 N#CCCSCC(=O)O Amb17502363 [1,1,0,0,0,0|2,0,0]=4 2893 B8R0.7 NC(=O)CCCCCO Amb22524369 [1,1,0,0,0,0|2,0,0]=4 2894 B8R0.7 NCCCCCC(=O)Cl Amb17142873 [1,1,0,0,0,0|2,0,0]=4 2895 B8R0.7 NCCCCCC(=O)O Amb17607928 [1,1,0,0,0,0|1,0,0]=3 2896 B8R0.7 NCCCCCC(=O)O Amb1905625 [1,1,0,0,0,0|1,0,0]=3 2897 B8R0.7 NCCCNCC(O)=O Amb22733138 [1,1,0,0,0,0|2,0,0]=4 2898 B8R0.7 NCCCNCC(O)=O Amb25848815 [1,1,0,0,0,0|2,0,0]=4 2899 B8R0.7 NCCCOCC(O)=O Amb18111435 [1,1,0,0,0,0|2,0,0]=4 2900 B8R0.7 NCCCSCC(=O)O Amb17500676 [1,1,0,0,0,0|2,0,0]=4 2901 B8R0.7 NCCNCCC(O)=O Amb20668304 [1,1,0,0,0,0|2,0,0]=4 2902 B8R0.7 NCCNCCC(O)=O Amb22058790 [1,1,0,0,0,0|2,0,0]=4 2903 B8R0.7 NCCOCCC(O)=O Amb18630461 [1,1,0,0,0,0|2,0,0]=4 2904 B8R0.7 NCCSCCC(O)=O Amb21988844 [1,1,0,0,0,0|2,0,0]=4 2905 B8R0.7 NC\C=C\CCC(O)=O Amb24411351 [1,1,0,0,0,0|1,0,1]=4 2906 B8R0.7 NOCCCCC(=O)O Amb10975955 [1,1,0,0,0,0|1,1,0]=4 2907 B8R0.7 OC(=O)CCCCC=O Amb18642763 [1,1,0,0,0,0|1,0,1]=4 2908 B8R0.7 OC(=O)CCCCCCl Amb18796646 [1,1,0,0,0,0|1,0,0]=3 2909 B8R0.7 OC(=O)CCCCCI Amb22736492 [1,1,0,0,0,0|1,0,0]=3 2910 B8R0.7 OC(=O)CCCCCS Amb18644374 [1,1,0,0,0,0|1,0,0]=3 2911 B8R0.7 OC(=O)CCCNC=O Amb18305404 [1,1,0,0,0,0|1,0,1]=4 2912 B8R0.7 OC(=O)CCC\C=C\Br Amb24518554 [1,1,0,0,0,0|1,0,1]=4 2913 B8R0.7 OC(=O)CCC\C=C\Cl Amb18644381 [1,1,0,0,0,0|1,0,1]=4 2914 B8R0.7 OC(=O)CCNCN=O Amb25311838 [1,1,0,0,0,0|2,0,0]=4 2915 B8R0.7 OC(=O)CCOCCBr Amb24057757 [1,1,0,0,0,0|2,0,0]=4 2916 B8R0.7 OC(=O)CCSCCCl Amb24097450 [1,1,0,0,0,0|2,0,0]=4 2917 B8R0.7 OC(=O)CCSCCS Amb18126456 [1,1,0,0,0,0|2,0,0]=4 2918 B8R0.7 OC(=O)CC\C=C\CBr Amb24635578 [1,1,0,0,0,0|1,0,1]=4 2919 B8R0.7 OC(=O)CNCCCBr Amb25765814 [1,1,0,0,0,0|2,0,0]=4 2920 B8R0.7 OC(=O)CNCCCS Amb25268354 [1,1,0,0,0,0|2,0,0]=4 2921 B8R0.7 OC(=O)COCCCBr Amb24594816 [1,1,0,0,0,0|2,0,0]=4 2922 B8R0.7 OC(=O)COCCCF Amb24481828 [1,1,0,0,0,0|2,0,0]=4 2923 B8R0.7 OC(=O)CSCCCBr Amb25771711 [1,1,0,0,0,0|2,0,0]=4 2924 B8R0.7 OC(=O)CSCCCCl Amb18126548 [1,1,0,0,0,0|2,0,0]=4 2925 B8R0.7 OC(=O)CSCCCF Amb25676986 [1,1,0,0,0,0|2,0,0]=4 2926 B8R0.7 OCCNCCC(=O)O Amb1110010 [1,1,0,0,0,0|2,0,0]=4 2927 B8R0.7 OC\C=C\CCC(O)=O Amb24639124 [1,1,0,0,0,0|1,0,1]=4 2928 B8R0.7 [N-]=[N+]=NCCCC(=O)O Amb10575820 [1,1,0,0,0,0|2,0,0]=4 2929 B8R0.7 [O-]C(=O)CCCCCO Amb22491268 [1,1,0,0,0,0|1,0,1]=4 2930 B8R0.21 CCCCCS(=O)(=O)O Amb10844728 [1,1,0,0,0,0|2,0,0]=4 2931 B8R0.21 CCCCCS(O)(=O)=O Amb22348176 [1,1,0,0,0,0|2,0,0]=4 2932 B8R0.21 CNCCCS(O)(=O)=O Amb25690771 [1,1,0,0,0,0|2,0,0]=4 2933 B8R0.21 COCCCS(O)(=O)=O Amb22523485 [1,1,0,0,0,0|1,1,0]=4 2934 B8R0.21 CSCCCS(N)(=O)=O Amb25032148 [1,1,0,0,0,0|1,0,1]=4 2935 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [1,1,0,0,0,0|1,0,1]=4 2936 B8R0.28 CC(=C)CCCC(C)=O Amb17739959 [1,1,0,0,0,0|2,0,0]=4 2937 B8R0.28 CC(=N)NCCC(O)=O Amb25836109 [1,1,0,0,0,0|2,0,0]=4 2938 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [1,1,0,0,0,0|2,0,0]=4 2939 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [1,1,0,0,0,0|2,0,0]=4 2940 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,1,0,0,0,0|1,0,0]=3 2941 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,1,0,0,0,0|2,0,0]=4 2942 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,1,0,0,0,0|2,0,0]=4 2943 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [1,1,0,0,0,0|2,0,0]=4 2944 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [1,1,0,0,0,0|2,0,0]=4 2945 B8R0.28 CC(=S)SCCC(O)=O Amb24480281 [1,1,0,0,0,0|2,0,0]=4 2946 B8R0.28 CC(Br)=CCCC(O)=O Amb25200944 [1,1,0,0,0,0|1,0,1]=4 2947 B8R0.28 CC(Br)CCCC(=O)Cl Amb25364942 [1,1,0,0,0,0|2,0,0]=4 2948 B8R0.28 CC(Br)CCCC(C)=O Amb24340312 [1,1,0,0,0,0|2,0,0]=4 2949 B8R0.28 CC(Br)CCCC(O)=O Amb24480052 [1,1,0,0,0,0|1,0,0]=3 2950 B8R0.28 CC(C)CCCC(=O)Cl Amb24477882 [1,1,0,0,0,0|2,0,0]=4 2951 B8R0.28 CC(C)CCCC(N)=O Amb24579456 [1,1,0,0,0,0|2,0,0]=4 2952 B8R0.28 CC(C)CNCC(O)=O Amb19373106 [1,1,0,0,0,0|2,0,0]=4 2953 B8R0.28 CC(CCCC(=O)O)O Amb2371277 [1,1,0,0,0,0|1,0,0]=3 2954 B8R0.28 CC(CCCC(=O)[O-])O Amb17615415 [1,1,0,0,0,0|1,0,1]=4 2955 B8R0.28 CC(CSCC(=O)O)C Amb1134811 [1,1,0,0,0,0|2,0,0]=4 2956 B8R0.28 CC(Cl)CCCC(C)=O Amb25724389 [1,1,0,0,0,0|2,0,0]=4 2957 B8R0.28 CC(Cl)CCCC(O)=O Amb24740888 [1,1,0,0,0,0|1,0,0]=3 2958 B8R0.28 CC(Cl)COCC(O)=O Amb24480258 [1,1,0,0,0,0|2,0,0]=4 2959 B8R0.28 CC(N)CCCC(O)=O Amb22059416 [1,1,0,0,0,0|1,0,0]=3 2960 B8R0.28 CC(N)COCC(O)=O Amb25368702 [1,1,0,0,0,0|2,0,0]=4 2961 B8R0.28 CC(NCCC(=O)O)C Amb1106349 [1,1,0,0,0,0|2,0,0]=4 2962 B8R0.28 CC(O)CCCC(C)=O Amb24340114 [1,1,0,0,0,0|2,0,0]=4 2963 B8R0.28 CC(O)CCCC(N)=O Amb24622764 [1,1,0,0,0,0|2,0,0]=4 2964 B8R0.28 CC(O)CSCC(O)=O Amb19005278 [1,1,0,0,0,0|2,0,0]=4 2965 B8R0.28 CN(C)NCCC(O)=O Amb24113891 [1,1,0,0,0,0|2,0,0]=4 2966 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [1,1,0,0,0,0|0,0,1]=3 2967 B8R0.28 C[C@@H](N)CCCC(O)=O Amb24435680 [1,1,0,0,0,0|1,0,0]=3 2968 B8R0.28 C[C@@H](N)COCC(O)=O Amb24641471 [1,1,0,0,0,0|2,0,0]=4 2969 B8R0.28 C[C@H](N)COCC(O)=O Amb25305053 [1,1,0,0,0,0|2,0,0]=4 2970 B8R0.28 C[C@H](O)CCCC(O)=O Amb25842809 [1,1,0,0,0,0|1,0,0]=3 2971 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [1,1,0,0,0,0|2,0,0]=4 2972 B8R0.28 OC(=O)CCC=C(C)C Amb10601609 [1,1,0,0,0,0|1,0,1]=4 2973 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [1,1,0,0,0,0|2,0,0]=4 2974 B8R0.28 OC(=O)CCCC(Cl)Cl Amb24479944 [1,1,0,0,0,0|2,0,0]=4 2975 B8R0.28 OC(=O)CCCC(F)F Amb24117996 [1,1,0,0,0,0|2,0,0]=4 2976 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [1,1,0,0,0,0|2,0,0]=4 2977 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [1,1,0,0,0,0|2,0,0]=4 2978 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [1,1,0,0,0,0|2,0,0]=4 2979 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [1,1,0,0,0,0|2,0,0]=4 2980 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [1,1,0,0,0,0|2,0,0]=4 2981 B8R0.28 OC(O)CCCC(O)=O Amb25205498 [1,1,0,0,0,0|2,0,0]=4 2982 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [1,1,0,0,0,0|2,0,0]=4 2983 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [1,1,0,0,0,0|2,0,0]=4 2984 B8R0.2 C=CC(O)C(N)C(O)=O Amb18642830 [1,1,0,0,0,0|0,0,2]=4 2985 B8R0.2 C=C[C@@H](O)[C@H](N)C(O)=O Amb25111565 [1,1,0,0,0,0|0,0,2]=4 2986 B8R0.2 C=C[C@H](O)[C@H](N)C(O)=O Amb25328036 [1,1,0,0,0,0|0,0,2]=4 2987 B8R0.2 CC(=O)C(N)C(=O)CC Amb24744767 [1,1,0,0,0,0|1,0,1]=4 2988 B8R0.2 CC(=O)C(O)C(Cl)CC Amb24588006 [1,1,0,0,0,0|2,0,0]=4 2989 B8R0.2 CC(C#C)C(N)C(O)=O Amb25726710 [1,1,0,0,0,0|0,0,2]=4 2990 B8R0.2 CC(C(F)CC)C(O)=O Amb25836213 [1,1,0,0,0,0|1,0,0]=3 2991 B8R0.2 CC(C(N)CC)C(O)=O Amb18832531 [1,1,0,0,0,0|1,0,0]=3 2992 B8R0.2 CC(C(N)CN)C(O)=O Amb24532823 [1,1,0,0,0,0|2,0,0]=4 2993 B8R0.2 CC(C=C)C(N)C(O)=O Amb18989861 [1,1,0,0,0,0|0,0,2]=4 2994 B8R0.2 CC(C=O)C(N)C(O)=O Amb24374650 [1,1,0,0,0,0|0,1,1]=4 2995 B8R0.2 CC(CC)C(Cl)C(=O)Cl Amb24635851 [1,1,0,0,0,0|2,0,0]=4 2996 B8R0.2 CC(CC)C(N)C(=O)S Amb24753871 [1,1,0,0,0,0|0,1,0]=3 2997 B8R0.2 CC(CC)C(N)C(N)=S Amb19374909 [1,1,0,0,0,0|1,1,0]=4 2998 B8R0.2 CC(CC)C(N)P(O)=O Amb24480138 [1,1,0,0,0,0|1,0,0]=3 2999 B8R0.2 CC(CC)C(N)P(O)O Amb24739487 [1,1,0,0,0,0|1,0,1]=4 3000 B8R0.2 CC(CC)C(O)C(N)=O Amb24112761 [1,1,0,0,0,0|2,0,0]=4 3001 B8R0.2 CC(CC)C(O)C(O)=O Amb18288809 [1,1,0,0,0,0|1,0,0]=3 3002 B8R0.2 CC(CC)C([15NH2])C(O)=O Amb22732430 [1,1,0,0,0,0|0,0,0]=2 3003 B8R0.2 CC(CC)[C@@H](Br)C(O)=O Amb25706427 [1,1,0,0,0,0|1,0,0]=3 3004 B8R0.2 CC(CC)[C@@H](Cl)C(O)=O Amb25360795 [1,1,0,0,0,0|1,0,0]=3 3005 B8R0.2 CC(CC)[C@@H](N)C(N)=O Amb18538475 [1,1,0,0,0,0|1,0,0]=3 3006 B8R0.2 CC(CC)[C@@H](O)C(O)=O Amb25083795 [1,1,0,0,0,0|1,0,0]=3 3007 B8R0.2 CC(CC)[C@H](F)C(O)=O Amb25679990 [1,1,0,0,0,0|1,0,0]=3 3008 B8R0.2 CC(CC)[C@H](O)C(O)=O Amb24700212 [1,1,0,0,0,0|1,0,0]=3 3009 B8R0.2 CC(CCl)[C@H](N)C(O)=O Amb24458196 [1,1,0,0,0,0|1,0,0]=3 3010 B8R0.2 CC(CF)C(N)C(O)=O Amb25223334 [1,1,0,0,0,0|1,0,0]=3 3011 B8R0.2 CC(CN)C(N)C(O)=O Amb25824065 [1,1,0,0,0,0|1,0,0]=3 3012 B8R0.2 CC(CN)C(O)C(O)=O Amb18642919 [1,1,0,0,0,0|2,0,0]=4 3013 B8R0.2 CC(NC)C(N)C(O)=O Amb18642890 [1,1,0,0,0,0|1,0,0]=3 3014 B8R0.2 CC(NC)C(O)C(O)=O Amb24477689 [1,1,0,0,0,0|2,0,0]=4 3015 B8R0.2 CC(OC)[C@@H](N)C(O)=O Amb25733335 [1,1,0,0,0,0|0,1,0]=3 3016 B8R0.2 CC(SC)C(N)C(O)=O Amb22228563 [1,1,0,0,0,0|0,0,0]=2 3017 B8R0.2 CCC(=C)C(C)C(O)=O Amb25228831 [1,1,0,0,0,0|1,0,1]=4 3018 B8R0.2 CCC(=C)C(N)C(O)=O Amb18642707 [1,1,0,0,0,0|0,0,1]=3 3019 B8R0.2 CCC(=C)[C@H](N)C(O)=O Amb25828765 [1,1,0,0,0,0|0,0,1]=3 3020 B8R0.2 CCC(=S)[C@H](N)C(O)=O Amb25111086 [1,1,0,0,0,0|0,0,1]=3 3021 B8R0.2 CCC(Br)C(Br)C(O)=O Amb24478770 [1,1,0,0,0,0|1,0,0]=3 3022 B8R0.2 CCC(C(C(=O)N)N)C Amb1105283 [1,1,0,0,0,0|1,0,0]=3 3023 B8R0.2 CCC(C(C(=O)N)N)C Amb1152621 [1,1,0,0,0,0|1,0,0]=3 3024 B8R0.2 CCC(C(C(=O)O)C)O Amb10844267 [1,1,0,0,0,0|1,0,0]=3 3025 B8R0.2 CCC(C(C(=O)O)Cl)C Amb17593752 [1,1,0,0,0,0|1,0,0]=3 3026 B8R0.2 CCC(C)C(=C)C(O)=O Amb18642655 [1,1,0,0,0,0|1,0,1]=4 3027 B8R0.2 CCC(C)C(=O)C(O)=O Amb22731530 [1,1,0,0,0,0|1,0,1]=4 3028 B8R0.2 CCC(C)C(C)C(N)=O Amb24746800 [1,1,0,0,0,0|2,0,0]=4 3029 B8R0.2 CCC(C)C(C)C(O)=O Amb18290719 [1,1,0,0,0,0|1,0,0]=3 3030 B8R0.2 CCC(F)C(N)C(O)=O Amb24764202 [1,1,0,0,0,0|0,0,0]=2 3031 B8R0.2 CCC(F)C(N)C(O)O Amb25204781 [1,1,0,0,0,0|0,0,2]=4 3032 B8R0.2 CCC(N)C(=C)C(O)=O Amb24558624 [1,1,0,0,0,0|1,0,1]=4 3033 B8R0.2 CCC(O)C(N)C(O)=O Amb18203168 [1,1,0,0,0,0|0,0,0]=2 3034 B8R0.2 CCC(O)C(O)C(C)=O Amb24736298 [1,1,0,0,0,0|2,0,0]=4 3035 B8R0.2 CCC(O)C(O)C(O)=O Amb24441607 [1,1,0,0,0,0|1,0,0]=3 3036 B8R0.2 CCC(O)[C@@H](N)C(O)=O Amb22750712 [1,1,0,0,0,0|0,0,0]=2 3037 B8R0.2 CCC(O)[C@H](N)C(O)=O Amb24364655 [1,1,0,0,0,0|0,0,0]=2 3038 B8R0.2 CCC(S)C(N)C(O)=O Amb24365228 [1,1,0,0,0,0|0,0,0]=2 3039 B8R0.2 CCC(S)[C@@H](N)C(O)=O Amb24604283 [1,1,0,0,0,0|0,0,0]=2 3040 B8R0.2 CCC([C@@H](C(=O)N)N)C Amb17231868 [1,1,0,0,0,0|1,0,0]=3 3041 B8R0.2 CCC([C@@H](C(=O)O)C)C Amb10844495 [1,1,0,0,0,0|1,0,0]=3 3042 B8R0.2 CCC([C@@H](C(=O)O)N)C Amb10844501 [1,1,0,0,0,0|0,0,0]=2 3043 B8R0.2 CCC([C@H](C(=O)O)N)C Amb10844500 [1,1,0,0,0,0|0,0,0]=2 3044 B8R0.2 CCN(C)[C@H](C)C(O)=O Amb25073540 [1,1,0,0,0,0|2,0,0]=4 3045 B8R0.2 CCS(=O)C(C)C(O)=O Amb18984976 [1,1,0,0,0,0|2,0,0]=4 3046 B8R0.2 CC[C@@H](C)C(=O)C(O)=O Amb25129590 [1,1,0,0,0,0|1,0,1]=4 3047 B8R0.2 CC[C@@H](C)[C@H](C)C(C)=O Amb25024740 [1,1,0,0,0,0|2,0,0]=4 3048 B8R0.2 CC[C@@H](N)[C@H](O)C(O)=O Amb22831530 [1,1,0,0,0,0|1,0,0]=3 3049 B8R0.2 CC[C@@H](O)[C@@H](N)C(O)=O Amb24087716 [1,1,0,0,0,0|0,0,0]=2 3050 B8R0.2 CC[C@@H](O)[C@H](N)C(N)=O Amb24670277 [1,1,0,0,0,0|1,0,0]=3 3051 B8R0.2 CC[C@@H](O)[C@H](N)C(O)=O Amb24105353 [1,1,0,0,0,0|0,0,0]=2 3052 B8R0.2 CC[C@@H](O)[C@H](O)C(O)=O Amb24431211 [1,1,0,0,0,0|1,0,0]=3 3053 B8R0.2 CC[C@@H]([C@@H](C(=O)N)N)C Amb10878815 [1,1,0,0,0,0|1,0,0]=3 3054 B8R0.2 CC[C@@H]([C@@H](C(=O)O)Br)Br Amb16233350 [1,1,0,0,0,0|1,0,0]=3 3055 B8R0.2 CC[C@@H]([C@@H](C(=O)O)C)C Amb10844498 [1,1,0,0,0,0|1,0,0]=3 3056 B8R0.2 CC[C@@H]([C@H](C(=O)O)O)C Amb10576171 [1,1,0,0,0,0|1,0,0]=3 3057 B8R0.2 CC[C@H](C)C(=C)C(O)=O Amb24699439 [1,1,0,0,0,0|1,0,1]=4 3058 B8R0.2 CC[C@H](C)[C@@H](C)C(O)=O Amb25056174 [1,1,0,0,0,0|1,0,0]=3 3059 B8R0.2 CC[C@H](C)[C@H](C)C(N)=O Amb25076764 [1,1,0,0,0,0|2,0,0]=4 3060 B8R0.2 CC[C@H](N)C(=C)C(O)=O Amb24468573 [1,1,0,0,0,0|1,0,1]=4 3061 B8R0.2 CC[C@H](N)[C@@H](O)C(O)=O Amb24449588 [1,1,0,0,0,0|1,0,0]=3 3062 B8R0.2 CC[C@H](N)[C@H](O)C(O)=O Amb24477817 [1,1,0,0,0,0|1,0,0]=3 3063 B8R0.2 CC[C@H](O)[C@H](N)C(N)=O Amb25113391 [1,1,0,0,0,0|1,0,0]=3 3064 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C Amb10068321 [1,1,0,0,0,0|0,0,0]=2 3065 B8R0.2 CNC(C)C(C)C(O)=O Amb25342967 [1,1,0,0,0,0|2,0,0]=4 3066 B8R0.2 CN[C@@H](C)[C@H](C)C(O)=O Amb25676912 [1,1,0,0,0,0|2,0,0]=4 3067 B8R0.2 COC(=O)C(N)C(O)=O Amb22491276 [1,1,0,0,0,0|0,1,1]=4 3068 B8R0.2 COC(=O)[C@H](N)C(O)=O Amb24695000 [1,1,0,0,0,0|0,1,1]=4 3069 B8R0.2 COC(C(C(=O)O)Br)C Amb16233352 [1,1,0,0,0,0|1,1,0]=4 3070 B8R0.2 COC(C(C(=O)O)C)C Amb10844268 [1,1,0,0,0,0|1,1,0]=4 3071 B8R0.2 COC(C)C(N)C(O)=O Amb17938689 [1,1,0,0,0,0|0,1,0]=3 3072 B8R0.2 COC(C)[C@H](C)C(O)=O Amb25722336 [1,1,0,0,0,0|1,1,0]=4 3073 B8R0.2 CO[C@@H](C)[C@@H](C)C(O)=O Amb25263126 [1,1,0,0,0,0|1,1,0]=4 3074 B8R0.2 CO[C@@H]([C@@H](C(=O)O)N)C Amb16183892 [1,1,0,0,0,0|0,1,0]=3 3075 B8R0.2 CO[C@@H]([C@H](C(=O)O)N)C Amb10603094 [1,1,0,0,0,0|0,1,0]=3 3076 B8R0.2 CO[C@H](C)[C@H](C)C(O)=O Amb24358364 [1,1,0,0,0,0|1,1,0]=4 3077 B8R0.2 CO[C@H]([C@@H](C(=O)O)C)C Amb10844258 [1,1,0,0,0,0|1,1,0]=4 3078 B8R0.2 CSC(C)C(C)C(O)=O Amb18644375 [1,1,0,0,0,0|1,0,0]=3 3079 B8R0.2 CS[C@@H](C)[C@H](C)C(O)=O Amb24552609 [1,1,0,0,0,0|1,0,0]=3 3080 B8R0.2 C[C@@H](C#C)[C@H](N)C(O)=O Amb25783160 [1,1,0,0,0,0|0,0,2]=4 3081 B8R0.2 C[C@@H](C=C)[C@H](N)C(O)=O Amb24340139 [1,1,0,0,0,0|0,0,2]=4 3082 B8R0.2 C[C@@H](C=O)[C@H](N)C(O)=O Amb25142449 [1,1,0,0,0,0|0,1,1]=4 3083 B8R0.2 C[C@@H](CC)C(Br)C(O)=O Amb24635596 [1,1,0,0,0,0|1,0,0]=3 3084 B8R0.2 C[C@@H](CC)C(F)C(O)=O Amb25042866 [1,1,0,0,0,0|1,0,0]=3 3085 B8R0.2 C[C@@H](CC)C(O)C(O)=O Amb25088995 [1,1,0,0,0,0|1,0,0]=3 3086 B8R0.2 C[C@@H](CC)[C@@H](Br)C(O)=O Amb23401386 [1,1,0,0,0,0|1,0,0]=3 3087 B8R0.2 C[C@@H](CC)[C@@H](S)C(O)=O Amb24388715 [1,1,0,0,0,0|1,0,0]=3 3088 B8R0.2 C[C@@H](CC)[C@H](Cl)C(O)=O Amb22388560 [1,1,0,0,0,0|1,0,0]=3 3089 B8R0.2 C[C@@H](CC)[C@H](N)C(O)=O Amb22351114 [1,1,0,0,0,0|0,0,0]=2 3090 B8R0.2 C[C@@H](CC)[C@H]([15NH2])C(O)=O Amb22337867 [1,1,0,0,0,0|0,0,0]=2 3091 B8R0.2 C[C@@H](CO)[C@@H](N)C(O)=O Amb24117487 [1,1,0,0,0,0|0,1,0]=3 3092 B8R0.2 C[C@@H](CO)[C@H](N)C(O)=O Amb24117488 [1,1,0,0,0,0|0,1,0]=3 3093 B8R0.2 C[C@@H](NC)[C@H](N)C(O)=O Amb24477707 [1,1,0,0,0,0|1,0,0]=3 3094 B8R0.2 C[C@@H](NC)[C@H](O)C(O)=O Amb25146143 [1,1,0,0,0,0|2,0,0]=4 3095 B8R0.2 C[C@@H](OC)[C@@H](N)C(O)=O Amb23438804 [1,1,0,0,0,0|0,1,0]=3 3096 B8R0.2 C[C@@H](OC)[C@H](Cl)C(O)=O Amb25701678 [1,1,0,0,0,0|1,1,0]=4 3097 B8R0.2 C[C@@H](OC)[C@H](N)C(O)=O Amb23438882 [1,1,0,0,0,0|0,1,0]=3 3098 B8R0.2 C[C@@H](OC)[C@H](O)C(O)=O Amb25316180 [1,1,0,0,0,0|1,1,0]=4 3099 B8R0.2 C[C@@H](SC)[C@@H](N)C(O)=O Amb24666742 [1,1,0,0,0,0|0,0,0]=2 3100 B8R0.2 C[C@@H]([C@@H](C)CO)C(O)=O Amb24696822 [1,1,0,0,0,0|1,1,0]=4 3101 B8R0.2 C[C@@H]([C@@H](O)CC)C(O)=O Amb24427100 [1,1,0,0,0,0|1,0,0]=3 3102 B8R0.2 C[C@@H]([C@H](N)CC)C(O)=O Amb24496209 [1,1,0,0,0,0|1,0,0]=3 3103 B8R0.2 C[C@@H]([C@H](O)CC)C(O)=O Amb24472165 [1,1,0,0,0,0|1,0,0]=3 3104 B8R0.2 C[C@H](C=C)[C@@H](N)C(O)=O Amb24460813 [1,1,0,0,0,0|0,0,2]=4 3105 B8R0.2 C[C@H](CC)C(N)C(O)=O Amb25206861 [1,1,0,0,0,0|0,0,0]=2 3106 B8R0.2 C[C@H](CC)[C@@H](Br)C(O)=O Amb24415133 [1,1,0,0,0,0|1,0,0]=3 3107 B8R0.2 C[C@H](CC)[C@H](Cl)C(O)=O Amb25147095 [1,1,0,0,0,0|1,0,0]=3 3108 B8R0.2 C[C@H](CC)[C@H](O)C(O)=O Amb25703176 [1,1,0,0,0,0|1,0,0]=3 3109 B8R0.2 C[C@H](NC)[C@H](O)C(O)=O Amb25755974 [1,1,0,0,0,0|2,0,0]=4 3110 B8R0.2 C[C@H](OC)[C@@H](Br)C(O)=O Amb24480242 [1,1,0,0,0,0|1,1,0]=4 3111 B8R0.2 C[C@H](OC)[C@@H](O)C(O)=O Amb25140960 [1,1,0,0,0,0|1,1,0]=4 3112 B8R0.2 C[C@H]([C@@H](O)CC)C(C)=O Amb25096669 [1,1,0,0,0,0|2,0,0]=4 3113 B8R0.2 C[C@H]([C@H](N)CC)C(O)=O Amb25737884 [1,1,0,0,0,0|1,0,0]=3 3114 B8R0.2 C\C(=C/C)\C(N)C(O)=O Amb18642706 [1,1,0,0,0,0|0,0,2]=4 3115 B8R0.2 C\C(=C/C)\[C@@H](N)C(O)=O Amb24695637 [1,1,0,0,0,0|0,0,2]=4 3116 B8R0.2 ClCC(C(C(=O)O)O)O Amb17593871 [1,1,0,0,0,0|2,0,0]=4 3117 B8R0.2 FC[C@H]([C@@H](C(=O)O)N)O Amb13883676 [1,1,0,0,0,0|1,0,0]=3 3118 B8R0.2 NC(C(O)CO)C(O)=O Amb18642974 [1,1,0,0,0,0|0,1,0]=3 3119 B8R0.2 NC(CF)C(F)C(O)=O Amb24340267 [1,1,0,0,0,0|2,0,0]=4 3120 B8R0.2 NC(CO)C(O)C(O)=O Amb25270055 [1,1,0,0,0,0|1,1,0]=4 3121 B8R0.2 NC[C@@H](F)[C@@H](F)C(O)=O Amb25366211 [1,1,0,0,0,0|2,0,0]=4 3122 B8R0.2 NC[C@@H](F)[C@H](F)C(O)=O Amb24452574 [1,1,0,0,0,0|2,0,0]=4 3123 B8R0.2 NC[C@H](O)[C@@H](O)C(O)=O Amb25323660 [1,1,0,0,0,0|2,0,0]=4 3124 B8R0.2 NC[C@H](O)[C@H](O)C(O)=O Amb25242625 [1,1,0,0,0,0|2,0,0]=4 3125 B8R0.2 N[C@@H](C(O)CBr)C(O)=O Amb24391545 [1,1,0,0,0,0|1,0,0]=3 3126 B8R0.2 N[C@@H](C(O)CCl)C(N)=O Amb24543859 [1,1,0,0,0,0|2,0,0]=4 3127 B8R0.2 N[C@@H](C(O)CF)C(O)=O Amb24426022 [1,1,0,0,0,0|1,0,0]=3 3128 B8R0.2 N[C@@H](CO)[C@H](O)C(O)=O Amb25738857 [1,1,0,0,0,0|1,1,0]=4 3129 B8R0.2 N[C@@H]([C@@H](O)CBr)C(O)=O Amb24480277 [1,1,0,0,0,0|1,0,0]=3 3130 B8R0.2 N[C@@H]([C@@H](O)CO)C(N)=O Amb24717733 [1,1,0,0,0,0|1,1,0]=4 3131 B8R0.2 N[C@@H]([C@@H](O)CO)C(O)=O Amb25678241 [1,1,0,0,0,0|0,1,0]=3 3132 B8R0.2 N[C@@H]([C@H](N)CO)C(O)=O Amb24761920 [1,1,0,0,0,0|0,1,0]=3 3133 B8R0.2 N[C@@H]([C@H](O)CCl)C(O)=O Amb25324441 [1,1,0,0,0,0|1,0,0]=3 3134 B8R0.2 N[C@@H]([C@H](O)CO)C(O)=O Amb24674136 [1,1,0,0,0,0|0,1,0]=3 3135 B8R0.2 N[C@H](CO)[C@H](O)C(O)=O Amb25090400 [1,1,0,0,0,0|1,1,0]=4 3136 B8R0.2 N[C@H]([C@@H](O)CO)C(=O)Cl Amb25707913 [1,1,0,0,0,0|1,1,0]=4 3137 B8R0.2 N[C@H]([C@@H](O)CO)C(O)=O Amb25836554 [1,1,0,0,0,0|0,1,0]=3 3138 B8R0.2 N[C@H]([C@H](O)CO)C(O)=O Amb24671346 [1,1,0,0,0,0|0,1,0]=3 3139 B8R0.2 OC(=O)C(Br)C(Br)CBr Amb22347644 [1,1,0,0,0,0|2,0,0]=4 3140 B8R0.2 OC(C(O)CBr)C(O)=O Amb24358122 [1,1,0,0,0,0|2,0,0]=4 3141 B8R0.2 OC(CF)C(Br)C(O)=O Amb25733261 [1,1,0,0,0,0|2,0,0]=4 3142 B8R0.2 OCC(O)C(O)C(O)=O Amb22495524 [1,1,0,0,0,0|1,1,0]=4 3143 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O Amb22801448 [1,1,0,0,0,0|1,1,0]=4 3144 B8R0.2 OC[C@H](O)[C@H](O)C(O)=O Amb25223742 [1,1,0,0,0,0|1,1,0]=4 3145 B8R0.2 O[C@@H]([C@H](O)CBr)C(O)=O Amb24426113 [1,1,0,0,0,0|2,0,0]=4 3146 B8R0.2 O[C@@H]([C@H](O)CCl)C(O)=O Amb25836734 [1,1,0,0,0,0|2,0,0]=4 3147 B8R0.2 SCC(C(C(=O)O)C)C Amb17593702 [1,1,0,0,0,0|1,0,0]=3 3148 B8R0.2 [14CH3][14CH]([14CH2][14CH3])[14CH](N)[14C](O)=O Amb22362774 [1,1,0,0,0,0|0,0,0]=2 3149 B8R0.12 CC(C(=O)O)(CCC)Cl Amb17593751 [1,1,0,0,0,0|1,0,0]=3 3150 B8R0.12 CC(C)(CCBr)C(O)=O Amb24739595 [1,1,0,0,0,0|2,0,0]=4 3151 B8R0.12 CC(C)(CCO)C(O)=O Amb24763728 [1,1,0,0,0,0|1,1,0]=4 3152 B8R0.12 CC(N)(CC=C)C(O)=O Amb22733281 [1,1,0,0,0,0|0,0,2]=4 3153 B8R0.12 CC(N)(CC=C)C(O)=O Amb22898994 [1,1,0,0,0,0|0,0,2]=4 3154 B8R0.12 CC(N)(CCN)C(O)=O Amb24060975 [1,1,0,0,0,0|1,0,0]=3 3155 B8R0.12 CC(N)(CCO)C(O)=O Amb24340273 [1,1,0,0,0,0|0,1,0]=3 3156 B8R0.12 CC(O)(CCO)C(O)=O Amb25250520 [1,1,0,0,0,0|1,1,0]=4 3157 B8R0.12 CCCC(C)(Br)C(=O)Cl Amb25757613 [1,1,0,0,0,0|2,0,0]=4 3158 B8R0.12 CCCC(C)(Br)C(O)=O Amb25772819 [1,1,0,0,0,0|1,0,0]=3 3159 B8R0.12 CCCC(C)(C)C(=O)Cl Amb22168276 [1,1,0,0,0,0|2,0,0]=4 3160 B8R0.12 CCCC(C)(N)C(C)=O Amb25340167 [1,1,0,0,0,0|1,0,0]=3 3161 B8R0.12 CCCC(C)(N)C(N)=O Amb18288983 [1,1,0,0,0,0|1,0,0]=3 3162 B8R0.12 CCCC(C)(N)C(N)=S Amb19148046 [1,1,0,0,0,0|1,1,0]=4 3163 B8R0.12 CCCC(C)(O)C(N)=O Amb24116806 [1,1,0,0,0,0|2,0,0]=4 3164 B8R0.12 CCCC(C)(O)C(O)=O Amb18288835 [1,1,0,0,0,0|1,0,0]=3 3165 B8R0.12 CCCC(F)(F)C(N)=O Amb24459558 [1,1,0,0,0,0|2,0,0]=4 3166 B8R0.12 CCCC(F)(F)C(O)=O Amb19929277 [1,1,0,0,0,0|1,0,0]=3 3167 B8R0.12 CCC[C@](C)(F)C(O)=O Amb24579970 [1,1,0,0,0,0|1,0,0]=3 3168 B8R0.12 CCC[C@](C)(O)C(O)=O Amb25114242 [1,1,0,0,0,0|1,0,0]=3 3169 B8R0.12 CCNC(C(=O)O)(C)C Amb13952777 [1,1,0,0,0,0|2,0,0]=4 3170 B8R0.12 CCOC(C)(C)C(O)=O Amb18976723 [1,1,0,0,0,0|2,0,0]=4 3171 B8R0.12 CCSC(C(=O)O)(C)C Amb17501487 [1,1,0,0,0,0|2,0,0]=4 3172 B8R0.12 CNCC(C)(N)C(O)=O Amb24061057 [1,1,0,0,0,0|1,0,0]=3 3173 B8R0.12 CNCC(F)(F)C(O)=O Amb22497225 [1,1,0,0,0,0|2,0,0]=4 3174 B8R0.12 CNCC(F)(F)C(O)=O Amb22523480 [1,1,0,0,0,0|2,0,0]=4 3175 B8R0.12 COCC(C(=O)O)(C)C Amb10608195 [1,1,0,0,0,0|1,1,0]=4 3176 B8R0.12 COCC(C)(Cl)C(O)=O Amb24692925 [1,1,0,0,0,0|1,1,0]=4 3177 B8R0.12 COCC(C)(N)C(C)=O Amb24376983 [1,1,0,0,0,0|1,1,0]=4 3178 B8R0.12 COCC(C)(N)C(N)=O Amb18298766 [1,1,0,0,0,0|1,1,0]=4 3179 B8R0.12 COCC(C)(N)C(N)=O Amb19515079 [1,1,0,0,0,0|1,1,0]=4 3180 B8R0.12 COCC(C)(N)C(O)=O Amb18990135 [1,1,0,0,0,0|0,1,0]=3 3181 B8R0.12 COCC(C)(N)C(O)=O Amb20622455 [1,1,0,0,0,0|0,1,0]=3 3182 B8R0.12 COCC(C)(O)C(O)=O Amb18992608 [1,1,0,0,0,0|1,1,0]=4 3183 B8R0.12 COCC(F)(F)C(O)=O Amb24518571 [1,1,0,0,0,0|1,1,0]=4 3184 B8R0.12 COC[C@](C)(N)C(O)=O Amb24568285 [1,1,0,0,0,0|0,1,0]=3 3185 B8R0.12 CSCC(C)(C)C(C)=O Amb25128208 [1,1,0,0,0,0|2,0,0]=4 3186 B8R0.12 CSCC(C)(C)C(N)=O Amb25352902 [1,1,0,0,0,0|2,0,0]=4 3187 B8R0.12 CSCC(C)(C)C(O)=O Amb18124874 [1,1,0,0,0,0|1,0,0]=3 3188 B8R0.12 CSCC(C)(Cl)C(N)=O Amb25295333 [1,1,0,0,0,0|2,0,0]=4 3189 B8R0.12 CSCC(C)(N)C(N)=O Amb18294540 [1,1,0,0,0,0|1,0,0]=3 3190 B8R0.12 CSCC(C)(N)C(O)=O Amb18294541 [1,1,0,0,0,0|0,0,0]=2 3191 B8R0.12 CSCC(C)(O)C(N)=O Amb25777208 [1,1,0,0,0,0|2,0,0]=4 3192 B8R0.12 CSCC(C)(O)C(O)=O Amb18644426 [1,1,0,0,0,0|1,0,0]=3 3193 B8R0.12 CSCC(F)(F)C(N)=O Amb23590988 [1,1,0,0,0,0|2,0,0]=4 3194 B8R0.12 CSCC(F)(F)C(O)=O Amb23590987 [1,1,0,0,0,0|1,0,0]=3 3195 B8R0.12 CSSC(C)(C)C(O)=O Amb24481616 [1,1,0,0,0,0|2,0,0]=4 3196 B8R0.12 C[C@@](C(=O)O)(CC#C)N Amb16183909 [1,1,0,0,0,0|0,0,2]=4 3197 B8R0.12 C[C@@](C(=O)O)(CCC)N Amb16232632 [1,1,0,0,0,0|0,0,0]=2 3198 B8R0.12 C[C@@](N)(CC=C)C(O)=O Amb23402145 [1,1,0,0,0,0|0,0,2]=4 3199 B8R0.12 C[C@@](N)(CCF)C(O)=O Amb25146094 [1,1,0,0,0,0|1,0,0]=3 3200 B8R0.12 C[C@](C(=O)O)(CC#C)N Amb16183908 [1,1,0,0,0,0|0,0,2]=4 3201 B8R0.12 C[C@](N)(CC#N)C(O)=O Amb25078617 [1,1,0,0,0,0|1,0,1]=4 3202 B8R0.12 C[C@](N)(CCF)C(O)=O Amb24383347 [1,1,0,0,0,0|1,0,0]=3 3203 B8R0.12 C[C@](N)(CCN)C(O)=O Amb25348479 [1,1,0,0,0,0|1,0,0]=3 3204 B8R0.12 C[C@](N)(CCO)C(O)=O Amb24720458 [1,1,0,0,0,0|0,1,0]=3 3205 B8R0.12 C\C=C\C(C)(N)C(O)=O Amb24671255 [1,1,0,0,0,0|0,0,2]=4 3206 B8R0.12 OCCC(Cl)(Cl)C(O)=O Amb24692691 [1,1,0,0,0,0|1,1,0]=4 3207 B8R0.14 CCCC(Cl)P(O)(O)=O Amb25810769 [1,1,0,0,0,0|2,0,0]=4 3208 B8R0.14 CCCC(N)C(N)(O)O Amb25366915 [1,1,0,0,0,0|0,0,2]=4 3209 B8R0.14 CCC[C@@H](Cl)P(O)(O)=O Amb24649962 [1,1,0,0,0,0|2,0,0]=4 3210 B8R0.14 CCC[C@@H](N)P(O)(O)=O Amb25097147 [1,1,0,0,0,0|1,0,0]=3 3211 B8R0.14 CCC[C@H](O)P(O)(O)=O Amb25052190 [1,1,0,0,0,0|2,0,0]=4 3212 B8R0.14 CNCC(N)P(O)(O)=O Amb25829146 [1,1,0,0,0,0|2,0,0]=4 3213 B8R0.14 CNC[C@@H](N)P(O)(O)=O Amb25118760 [1,1,0,0,0,0|2,0,0]=4 3214 B8R0.14 COCC(N)P(O)(O)=O Amb25682729 [1,1,0,0,0,0|1,1,0]=4 3215 B8R0.14 CSCC(N)S(O)(=O)=O Amb25111012 [1,1,0,0,0,0|1,0,0]=3 3216 B8R0.14 NC(CCS)P(O)(O)=O Amb25088296 [1,1,0,0,0,0|1,0,0]=3 3217 B8R0.14 N[C@H](CCO)P(O)(O)=O Amb24443042 [1,1,0,0,0,0|1,1,0]=4 3218 B8R0.15 C=CC[C@@H](NO)C(O)=O Amb25328715 [1,1,0,0,0,0|0,0,2]=4 3219 B8R0.15 C=CC[C@H](CN)C(O)=O Amb24679707 [1,1,0,0,0,0|0,0,2]=4 3220 B8R0.15 CCC(CCC)C(C)=O Amb25683405 [1,1,0,0,0,0|2,0,0]=4 3221 B8R0.15 CCC(CCC)C(N)=O Amb24678022 [1,1,0,0,0,0|2,0,0]=4 3222 B8R0.15 CCC(CCC)C(O)=O Amb19009626 [1,1,0,0,0,0|1,0,0]=3 3223 B8R0.15 CCC(CCN)C(O)=O Amb24699884 [1,1,0,0,0,0|2,0,0]=4 3224 B8R0.15 CCC(CCO)C(O)=O Amb18642884 [1,1,0,0,0,0|1,1,0]=4 3225 B8R0.15 CCC(COC)C(O)=O Amb18124352 [1,1,0,0,0,0|1,1,0]=4 3226 B8R0.15 CCCC(C#C)C(O)=O Amb25280471 [1,1,0,0,0,0|1,0,0]=3 3227 B8R0.15 CCCC(C#N)C(C)=O Amb24053569 [1,1,0,0,0,0|1,0,1]=4 3228 B8R0.15 CCCC(C#N)C(N)=O Amb24410513 [1,1,0,0,0,0|1,0,1]=4 3229 B8R0.15 CCCC(CN)C(C)=O Amb25756244 [1,1,0,0,0,0|1,0,0]=3 3230 B8R0.15 CCCC(CN)C(O)=O Amb19373497 [1,1,0,0,0,0|0,0,0]=2 3231 B8R0.15 CCCC(NBr)C(O)=O Amb24634034 [1,1,0,0,0,0|0,0,0]=2 3232 B8R0.15 CCCC(NC)C(N)=O Amb19006602 [1,1,0,0,0,0|1,0,0]=3 3233 B8R0.15 CCCC(NC)C(O)=O Amb21961534 [1,1,0,0,0,0|0,0,0]=2 3234 B8R0.15 CCCC(NC)C(O)=O Amb22587444 [1,1,0,0,0,0|0,0,0]=2 3235 B8R0.15 CCCC(NCl)C(O)=O Amb25032132 [1,1,0,0,0,0|0,0,0]=2 3236 B8R0.15 CCCC(NO)C(O)=O Amb22372057 [1,1,0,0,0,0|0,0,0]=2 3237 B8R0.15 CCC[C@@H](CO)C(O)=O Amb24571859 [1,1,0,0,0,0|1,0,0]=3 3238 B8R0.15 CCC[C@@H](NC)C(O)=O Amb25771939 [1,1,0,0,0,0|0,0,0]=2 3239 B8R0.15 CCC[C@H](CO)C(O)=O Amb25063310 [1,1,0,0,0,0|1,0,0]=3 3240 B8R0.15 CCC[C@H](NC)C(O)=O Amb25062610 [1,1,0,0,0,0|0,0,0]=2 3241 B8R0.15 CCC[C@H](NO)C(O)=O Amb25744829 [1,1,0,0,0,0|0,0,0]=2 3242 B8R0.15 CCNC(C=C)C(O)=O Amb25346510 [1,1,0,0,0,0|2,0,0]=4 3243 B8R0.15 CCNC(CN)C(O)=O Amb25825729 [1,1,0,0,0,0|1,0,0]=3 3244 B8R0.15 CCNC(CO)C(O)=O Amb24477808 [1,1,0,0,0,0|2,0,0]=4 3245 B8R0.15 CCNC(CS)C(O)=O Amb25694444 [1,1,0,0,0,0|2,0,0]=4 3246 B8R0.15 CCN[C@@H](CO)C(O)=O Amb24477673 [1,1,0,0,0,0|2,0,0]=4 3247 B8R0.15 CCN[C@@H](CS)C(O)=O Amb25801938 [1,1,0,0,0,0|2,0,0]=4 3248 B8R0.15 CCN[C@H](CO)C(O)=O Amb25328424 [1,1,0,0,0,0|2,0,0]=4 3249 B8R0.15 CCN[C@H](CS)C(O)=O Amb24692505 [1,1,0,0,0,0|2,0,0]=4 3250 B8R0.15 CCOC(C=C)C(O)=O Amb18642775 [1,1,0,0,0,0|2,0,0]=4 3251 B8R0.15 CCOC(CO)C(O)=O Amb18316294 [1,1,0,0,0,0|2,0,0]=4 3252 B8R0.15 CCOC(CS)C(O)=O Amb19037339 [1,1,0,0,0,0|2,0,0]=4 3253 B8R0.15 CCSC(CCl)C(O)=O Amb25837308 [1,1,0,0,0,0|2,0,0]=4 3254 B8R0.15 CCSC(CN)C(N)=O Amb25801244 [1,1,0,0,0,0|2,0,0]=4 3255 B8R0.15 CCSC(CN)C(O)=O Amb25808987 [1,1,0,0,0,0|1,0,0]=3 3256 B8R0.15 CCSC(CO)C(O)=O Amb25803319 [1,1,0,0,0,0|2,0,0]=4 3257 B8R0.15 CC[C@@H](CCC)C(N)=O Amb24393313 [1,1,0,0,0,0|2,0,0]=4 3258 B8R0.15 CC[C@@H](CCC)C(O)=O Amb24529114 [1,1,0,0,0,0|1,0,0]=3 3259 B8R0.15 CC[C@H](CCC)C(O)=O Amb24376457 [1,1,0,0,0,0|1,0,0]=3 3260 B8R0.15 CNC(CNC)C(O)=O Amb25066748 [1,1,0,0,0,0|1,0,0]=3 3261 B8R0.15 CNC(COC)C(N)=O Amb24120142 [1,1,0,0,0,0|1,1,0]=4 3262 B8R0.15 CNC(COC)C(O)=O Amb19304133 [1,1,0,0,0,0|0,1,0]=3 3263 B8R0.15 CNC(COC)C(O)=O Amb22059040 [1,1,0,0,0,0|0,1,0]=3 3264 B8R0.15 CNCC(C#N)C(O)=O Amb25756304 [1,1,0,0,0,0|1,0,1]=4 3265 B8R0.15 CNCC(OC)C(O)=O Amb25744334 [1,1,0,0,0,0|2,0,0]=4 3266 B8R0.15 CN[C@@H](CCS)C(O)=O Amb24533728 [1,1,0,0,0,0|0,0,0]=2 3267 B8R0.15 CN[C@@H](CNC)C(O)=O Amb24361748 [1,1,0,0,0,0|1,0,0]=3 3268 B8R0.15 CN[C@@H](COC)C(O)=O Amb25075397 [1,1,0,0,0,0|0,1,0]=3 3269 B8R0.15 CN[C@@H](CSC)C(O)=O Amb24377120 [1,1,0,0,0,0|0,0,0]=2 3270 B8R0.15 COC(CSC)C(O)=O Amb25309562 [1,1,0,0,0,0|1,0,0]=3 3271 B8R0.15 COC(OCC)C(O)=O Amb25367206 [1,1,0,0,0,0|2,0,0]=4 3272 B8R0.15 COCC(C#N)C(O)=O Amb24382899 [1,1,0,0,0,0|0,1,1]=4 3273 B8R0.15 COCC(C=O)C(O)=O Amb24640433 [1,1,0,0,0,0|1,1,0]=4 3274 B8R0.15 COC[C@H](NO)C(O)=O Amb24671375 [1,1,0,0,0,0|0,1,0]=3 3275 B8R0.15 CONC(CN)C(O)=O Amb25688022 [1,1,0,0,0,0|1,1,0]=4 3276 B8R0.15 CO[C@@H](CCN)C(O)=O Amb25146111 [1,1,0,0,0,0|2,0,0]=4 3277 B8R0.15 CO[C@H](COC)C(O)=O Amb25122791 [1,1,0,0,0,0|1,1,0]=4 3278 B8R0.15 CSC(CSC)C(O)=O Amb24595007 [1,1,0,0,0,0|1,0,0]=3 3279 B8R0.15 NCCC(CF)C(O)=O Amb25174518 [1,1,0,0,0,0|2,0,0]=4 3280 B8R0.23 BrC(C(=O)O)CC(C)C Amb16233356 [1,1,0,0,0,0|1,0,0]=3 3281 B8R0.23 C=C(Br)CC(N)C(O)=O Amb24557771 [1,1,0,0,0,0|0,0,2]=4 3282 B8R0.23 C=C(Br)C[C@@H](N)C(O)=O Amb22746251 [1,1,0,0,0,0|0,0,2]=4 3283 B8R0.23 C=C(Cl)CC(N)C(O)=O Amb24411473 [1,1,0,0,0,0|0,0,2]=4 3284 B8R0.23 C=C(F)CC(N)C(O)=O Amb24580886 [1,1,0,0,0,0|0,0,2]=4 3285 B8R0.23 C=C(I)CC(N)C(O)=O Amb25842052 [1,1,0,0,0,0|0,0,2]=4 3286 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [1,1,0,0,0,0|1,0,1]=4 3287 B8R0.23 CC(=C)CC(O)C(O)=O Amb24534477 [1,1,0,0,0,0|1,0,1]=4 3288 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [1,1,0,0,0,0|1,0,1]=4 3289 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [1,1,0,0,0,0|1,0,1]=4 3290 B8R0.23 CC(=C)C[C@@H](N)C(O)=O Amb22801689 [1,1,0,0,0,0|0,0,1]=3 3291 B8R0.23 CC(=C)C[C@H](N)C(O)=O Amb25757900 [1,1,0,0,0,0|0,0,1]=3 3292 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [1,1,0,0,0,0|1,0,1]=4 3293 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [1,1,0,0,0,0|0,0,1]=3 3294 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [1,1,0,0,0,0|0,0,1]=3 3295 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [1,1,0,0,0,0|1,0,1]=4 3296 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [1,1,0,0,0,0|1,0,1]=4 3297 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [1,1,0,0,0,0|0,0,1]=3 3298 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [1,1,0,0,0,0|1,0,1]=4 3299 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [1,1,0,0,0,0|1,0,1]=4 3300 B8R0.23 CC(C(=O)O)NC(C)C Amb10199874 [1,1,0,0,0,0|2,0,0]=4 3301 B8R0.23 CC(C(=O)O)NC(C)C Amb1110769 [1,1,0,0,0,0|2,0,0]=4 3302 B8R0.23 CC(C(=O)O)OC(C)C Amb10607866 [1,1,0,0,0,0|2,0,0]=4 3303 B8R0.23 CC(C)=C[C@H](N)C(O)=O Amb24629144 [1,1,0,0,0,0|0,0,2]=4 3304 B8R0.23 CC(C)CC(=C)C(O)=O Amb18642603 [1,1,0,0,0,0|1,0,1]=4 3305 B8R0.23 CC(C)CC(Br)C(N)=O Amb24423796 [1,1,0,0,0,0|2,0,0]=4 3306 B8R0.23 CC(C)CC(C)C(C)=O Amb24640121 [1,1,0,0,0,0|2,0,0]=4 3307 B8R0.23 CC(C)CC(C)C(N)=O Amb25733229 [1,1,0,0,0,0|2,0,0]=4 3308 B8R0.23 CC(C)CC(C)C(O)=O Amb18975244 [1,1,0,0,0,0|1,0,0]=3 3309 B8R0.23 CC(C)CC(Cl)C(N)=O Amb24534175 [1,1,0,0,0,0|2,0,0]=4 3310 B8R0.23 CC(C)CC(F)C(O)=O Amb24565634 [1,1,0,0,0,0|1,0,0]=3 3311 B8R0.23 CC(C)CC(N)B(O)O Amb25125820 [1,1,0,0,0,0|1,0,1]=4 3312 B8R0.23 CC(C)CC(N)C(C)=C Amb25764676 [1,1,0,0,0,0|2,0,0]=4 3313 B8R0.23 CC(C)CC(N)C(C)=O Amb18203220 [1,1,0,0,0,0|1,0,0]=3 3314 B8R0.23 CC(C)CC(N)C(C)=O Amb22899479 [1,1,0,0,0,0|1,0,0]=3 3315 B8R0.23 CC(C)CC(N)C(C)O Amb18642850 [1,1,0,0,0,0|1,0,1]=4 3316 B8R0.23 CC(C)CC(N)C(O)=O Amb22001061 [1,1,0,0,0,0|0,0,0]=2 3317 B8R0.23 CC(C)CC(N)[13C](O)=O Amb22363198 [1,1,0,0,0,0|0,0,0]=2 3318 B8R0.23 CC(C)CC(S)C(O)=O Amb18296292 [1,1,0,0,0,0|1,0,0]=3 3319 B8R0.23 CC(C)CC([15NH2])C(O)=O Amb22351200 [1,1,0,0,0,0|0,0,0]=2 3320 B8R0.23 CC(C)C[13CH](N)C(O)=O Amb22351309 [1,1,0,0,0,0|0,0,0]=2 3321 B8R0.23 CC(C)C[13CH](N)[13C](O)=O Amb22367336 [1,1,0,0,0,0|0,0,0]=2 3322 B8R0.23 CC(C)C[C@@H](Br)C(=O)Cl Amb25290167 [1,1,0,0,0,0|2,0,0]=4 3323 B8R0.23 CC(C)C[C@@H](Br)C(N)=O Amb25310991 [1,1,0,0,0,0|2,0,0]=4 3324 B8R0.23 CC(C)C[C@@H](Br)C(O)=O Amb24648832 [1,1,0,0,0,0|1,0,0]=3 3325 B8R0.23 CC(C)C[C@@H](Cl)C(O)=O Amb22800398 [1,1,0,0,0,0|1,0,0]=3 3326 B8R0.23 CC(C)C[C@@H](F)C(O)=O Amb24616998 [1,1,0,0,0,0|1,0,0]=3 3327 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb22745197 [1,1,0,0,0,0|1,0,0]=3 3328 B8R0.23 CC(C)C[C@@H]([15NH2])C(O)=O Amb22801141 [1,1,0,0,0,0|0,0,0]=2 3329 B8R0.23 CC(C)C[C@H](Br)C(O)=O Amb22226489 [1,1,0,0,0,0|1,0,0]=3 3330 B8R0.23 CC(C)C[C@H](Cl)C(N)=O Amb25145996 [1,1,0,0,0,0|2,0,0]=4 3331 B8R0.23 CC(C)C[C@H](Cl)C(O)=O Amb22388637 [1,1,0,0,0,0|1,0,0]=3 3332 B8R0.23 CC(C)C[C@H](N)B(O)O Amb24578467 [1,1,0,0,0,0|1,0,1]=4 3333 B8R0.23 CC(C)C[C@H](N)C(=O)Cl Amb25842766 [1,1,0,0,0,0|1,0,0]=3 3334 B8R0.23 CC(C)C[C@H](N)C(O)=O Amb22351113 [1,1,0,0,0,0|0,0,0]=2 3335 B8R0.23 CC(C)C[C@H](N)C(O)O Amb24353011 [1,1,0,0,0,0|0,0,2]=4 3336 B8R0.23 CC(C)C[C@H](N)[C@@H](C)O Amb25851073 [1,1,0,0,0,0|1,0,1]=4 3337 B8R0.23 CC(C)C[C@H](O)C(N)=O Amb24548495 [1,1,0,0,0,0|2,0,0]=4 3338 B8R0.23 CC(C)C[C@H](S)C(O)=O Amb24457027 [1,1,0,0,0,0|1,0,0]=3 3339 B8R0.23 CC(C)SC(F)C(O)=O Amb24671129 [1,1,0,0,0,0|2,0,0]=4 3340 B8R0.23 CC(C)S[C@@H](C)C(O)=O Amb25108429 [1,1,0,0,0,0|2,0,0]=4 3341 B8R0.23 CC(CC(C)N)C(O)=O Amb20620336 [1,1,0,0,0,0|1,0,0]=3 3342 B8R0.23 CC(CC(C)O)C(C)=O Amb25682085 [1,1,0,0,0,0|2,0,0]=4 3343 B8R0.23 CC(CC(F)F)C(O)=O Amb22896466 [1,1,0,0,0,0|2,0,0]=4 3344 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [1,1,0,0,0,0|2,0,0]=4 3345 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [1,1,0,0,0,0|1,0,1]=4 3346 B8R0.23 CC(Cl)CC(Cl)C(C)=O Amb25700978 [1,1,0,0,0,0|2,0,0]=4 3347 B8R0.23 CC(F)CC(N)C(O)=O Amb25803619 [1,1,0,0,0,0|0,0,0]=2 3348 B8R0.23 CC(O)CC(=O)C(O)=O Amb25789747 [1,1,0,0,0,0|1,0,1]=4 3349 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [1,1,0,0,0,0|1,0,0]=3 3350 B8R0.23 CC(O)CC(N)C(O)=O Amb18642918 [1,1,0,0,0,0|0,0,0]=2 3351 B8R0.23 CC(O)CC(O)C(N)=O Amb24523077 [1,1,0,0,0,0|2,0,0]=4 3352 B8R0.23 CC(S)CC(O)C(O)=O Amb25032270 [1,1,0,0,0,0|1,0,0]=3 3353 B8R0.23 CN(C)CC(F)C(O)=O Amb25178248 [1,1,0,0,0,0|2,0,0]=4 3354 B8R0.23 CN(C)CC(N)C(N)=O Amb18984335 [1,1,0,0,0,0|2,0,0]=4 3355 B8R0.23 CN(C)CC(N)C(O)=O Amb22352274 [1,1,0,0,0,0|1,0,0]=3 3356 B8R0.23 CN(C)CC(N)C(O)=O Amb23558085 [1,1,0,0,0,0|1,0,0]=3 3357 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb19889770 [1,1,0,0,0,0|1,0,0]=3 3358 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb22800468 [1,1,0,0,0,0|1,0,0]=3 3359 B8R0.23 CN(C)C[C@H](N)C(O)=O Amb24078627 [1,1,0,0,0,0|1,0,0]=3 3360 B8R0.23 CN(C)C[C@H](O)C(O)=O Amb24372674 [1,1,0,0,0,0|2,0,0]=4 3361 B8R0.23 CS(=N)CC(N)C(O)=O Amb24374643 [1,1,0,0,0,0|0,0,1]=3 3362 B8R0.23 CS(=O)CC(N)C(O)=O Amb18125279 [1,1,0,0,0,0|0,0,1]=3 3363 B8R0.23 CS(=O)CC(O)C(O)=O Amb24692848 [1,1,0,0,0,0|1,0,1]=4 3364 B8R0.23 CS(=O)C[C@@H](C(=O)O)N Amb16232229 [1,1,0,0,0,0|0,0,1]=3 3365 B8R0.23 CS(=O)C[C@@H](N)C(O)=O Amb22745418 [1,1,0,0,0,0|0,0,1]=3 3366 B8R0.23 C[C@@H](C(=O)O)CC(C)C Amb10844070 [1,1,0,0,0,0|1,0,0]=3 3367 B8R0.23 C[C@@H](O)CC(=O)C(O)=O Amb25239377 [1,1,0,0,0,0|1,0,1]=4 3368 B8R0.23 C[C@@H](O)C[C@H](N)C(O)=O Amb25162814 [1,1,0,0,0,0|0,0,0]=2 3369 B8R0.23 C[C@H](C(=O)O)CC(C)C Amb10844071 [1,1,0,0,0,0|1,0,0]=3 3370 B8R0.23 C[C@H](C(=O)O)CN(C)C Amb10844031 [1,1,0,0,0,0|2,0,0]=4 3371 B8R0.23 C[C@H](Cl)C[C@H](N)C(O)=O Amb25849347 [1,1,0,0,0,0|0,0,0]=2 3372 B8R0.23 C[C@H](O)CC(=O)C(O)=O Amb25859340 [1,1,0,0,0,0|1,0,1]=4 3373 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [1,1,0,0,0,0|1,0,0]=3 3374 B8R0.23 C[C@H](O)C[C@H](N)C(O)=O Amb24461394 [1,1,0,0,0,0|0,0,0]=2 3375 B8R0.23 C[S+](C)CC(N)C([O-])=O Amb25242630 [1,1,0,0,0,0|0,0,2]=4 3376 B8R0.23 C[S+](C)CC(O)C(O)=O Amb24373144 [1,1,0,0,0,0|1,0,1]=4 3377 B8R0.23 ClC(C(=O)O)CC(C)C Amb17593753 [1,1,0,0,0,0|1,0,0]=3 3378 B8R0.23 F[C@H](C(=O)O)CC(C)C Amb10841083 [1,1,0,0,0,0|1,0,0]=3 3379 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [1,1,0,0,0,0|0,1,1]=4 3380 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [1,1,0,0,0,0|0,1,1]=4 3381 B8R0.23 NC(=S)CC(N)C(O)=O Amb24728838 [1,1,0,0,0,0|0,0,2]=4 3382 B8R0.23 NC(C(=O)O)CC(F)F Amb13952714 [1,1,0,0,0,0|1,0,0]=3 3383 B8R0.23 NC(C(=O)O)CC(F)F Amb13952720 [1,1,0,0,0,0|1,0,0]=3 3384 B8R0.23 NC(CC(F)Cl)C(O)=O Amb24339513 [1,1,0,0,0,0|1,0,0]=3 3385 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [1,1,0,0,0,0|0,1,1]=4 3386 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [1,1,0,0,0,0|0,1,1]=4 3387 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [1,1,0,0,0,0|0,1,1]=4 3388 B8R0.23 NC(CN(S)S)C(O)=O Amb24655070 [1,1,0,0,0,0|1,0,0]=3 3389 B8R0.23 NC(CS(=O)=O)C(O)=O Amb24480078 [1,1,0,0,0,0|1,0,1]=4 3390 B8R0.23 NC(CS(N)=O)C(O)=O Amb25139436 [1,1,0,0,0,0|1,0,1]=4 3391 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [1,1,0,0,0,0|1,0,1]=4 3392 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [1,1,0,0,0,0|0,1,1]=4 3393 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [1,1,0,0,0,0|0,1,1]=4 3394 B8R0.23 NC(C[N+]([O-])=O)C(O)=O Amb24642660 [1,1,0,0,0,0|1,1,0]=4 3395 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [1,1,0,0,0,0|0,1,1]=4 3396 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [1,1,0,0,0,0|0,1,1]=4 3397 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [1,1,0,0,0,0|0,1,1]=4 3398 B8R0.23 N[C@@H](C(=O)N)CC(C)C Amb16183944 [1,1,0,0,0,0|1,0,0]=3 3399 B8R0.23 N[C@@H](CB(O)O)C(O)=O Amb25844412 [1,1,0,0,0,0|1,1,0]=4 3400 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O Amb24746791 [1,1,0,0,0,0|1,0,0]=3 3401 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [1,1,0,0,0,0|0,1,1]=4 3402 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [1,1,0,0,0,0|0,1,1]=4 3403 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [1,1,0,0,0,0|0,1,1]=4 3404 B8R0.23 N[C@@H](C[N+]([O-])=O)C(O)=O Amb25710255 [1,1,0,0,0,0|1,1,0]=4 3405 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [1,1,0,0,0,0|0,1,1]=4 3406 B8R0.23 N[C@H](C(=O)N)CC(C)C Amb10670112 [1,1,0,0,0,0|1,0,0]=3 3407 B8R0.23 N[C@H](CC(F)F)C(O)=O Amb25117310 [1,1,0,0,0,0|1,0,0]=3 3408 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [1,1,0,0,0,0|0,1,1]=4 3409 B8R0.23 N[C@H](CN(S)S)C(O)=O Amb24564540 [1,1,0,0,0,0|1,0,0]=3 3410 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [1,1,0,0,0,0|1,0,1]=4 3411 B8R0.23 OC(=O)C(Cl)CC(Cl)Cl Amb25350003 [1,1,0,0,0,0|2,0,0]=4 3412 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [1,1,0,0,0,0|1,0,1]=4 3413 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [1,1,0,0,0,0|0,1,1]=4 3414 B8R0.23 OC(=O)[C@@H](Cl)CC(Cl)Cl Amb25061364 [1,1,0,0,0,0|2,0,0]=4 3415 B8R0.23 OC(CC(F)F)C(O)=O Amb25274709 [1,1,0,0,0,0|2,0,0]=4 3416 B8R0.23 OC(O)C[C@@H](O)C(O)=O Amb24524214 [1,1,0,0,0,0|1,1,0]=4 3417 B8R0.23 O[C@H](C(=O)O)CC(C)C Amb16232074 [1,1,0,0,0,0|1,0,0]=3 3418 B8R0.23 O[C@H](CC(F)F)C(O)=O Amb24641140 [1,1,0,0,0,0|2,0,0]=4 3419 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337118 [1,1,0,0,0,0|0,0,0]=2 3420 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [1,1,0,0,0,0|0,1,1]=4 3421 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [1,1,0,0,0,0|0,1,1]=4 3422 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [1,1,0,0,0,0|0,1,1]=4 3423 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [1,1,0,0,0,0|0,1,1]=4 3424 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [1,1,0,0,0,0|0,1,1]=4 3425 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [1,1,0,0,0,0|0,1,1]=4 3426 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [1,1,0,0,0,0|0,1,1]=4 3427 B10R0.6 CC#CCCC(C)CC(O)=O Amb25380143 [0,1,0,0,0,1|2,0,0]=4 3428 B10R0.6 CCCCCC(C)CC(O)=O Amb19375410 [0,1,0,0,0,1|2,0,0]=4 3429 B10R0.6 CCCCCC(N)CC(O)=O Amb21857987 [0,1,0,0,0,1|1,0,0]=3 3430 B10R0.6 CCCCCC(O)CC(O)=O Amb18797787 [0,1,0,0,0,1|2,0,0]=4 3431 B10R0.6 NCCCC[C@@H](N)CC(O)=O Amb22746256 [0,1,0,0,0,1|1,0,0]=3 3432 B10R0.6 NCCCC[C@H](N)CC(O)=O Amb22369388 [0,1,0,0,0,1|1,0,0]=3 3433 B10R0.18 CSCCC(C)NC(N)=NO Amb24755396 [0,1,0,0,0,1|2,0,0]=4 3434 B10R0.32 CCCC(C(CC(=O)O)N)C Amb2423447 [0,1,0,0,0,1|1,0,0]=3 3435 B10R0.87 CCCCC(CC(O)=O)CC Amb18797358 [0,1,0,0,0,1|2,0,0]=4 3436 B10R0.96 NC(=O)CC[C@@H](N)CC(O)=O Amb22746285 [0,1,0,0,0,1|2,0,0]=4 3437 B10R0.96 NC(=O)CC[C@H](N)CC(O)=O Amb22348459 [0,1,0,0,0,1|2,0,0]=4 3438 B10R0.96 NC(CC(O)=O)CCC(O)=O Amb22552564 [0,1,0,0,0,1|2,0,0]=4 3439 B10R0.96 N[C@@H](CC(O)=O)CCC(O)=O Amb22750585 [0,1,0,0,0,1|2,0,0]=4 3440 B10R0.96 OC(=O)CC[C@@H](CC(=O)O)N Amb16232070 [0,1,0,0,0,1|2,0,0]=4 3441 B10R0.12 CS(=O)CCC(N)P(O)(O)=O Amb25386012 [0,2,0,0,0,0|1,0,1]=4 3442 B10R0.52 CCC(O)C[C@@H](N)P(O)(O)=O Amb25386170 [0,2,0,0,0,0|2,0,0]=4 3443 B10R0.100 CC(CCC)C(N)P(O)(O)=O Amb24766788 [0,2,0,0,0,0|2,0,0]=4 3444 B10R0.13 CC(=C)CC(C)C(C)C(O)=O Amb24762085 [0,2,0,0,0,0|2,0,0]=4 3445 B10R0.13 CC(=O)CC(C)C(C)C(O)=O Amb18126130 [0,2,0,0,0,0|2,0,0]=4 3446 B10R0.13 CC(=O)OC(C)C(N)C(O)=O Amb25385009 [0,2,0,0,0,0|2,0,0]=4 3447 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(O)=O Amb22747815 [0,2,0,0,0,0|2,0,0]=4 3448 B10R0.13 CC(C)=CC(C)C(N)C(O)=O Amb24484645 [0,2,0,0,0,0|1,0,1]=4 3449 B10R0.13 CC(C)CC(C)C(F)C(O)=O Amb24761994 [0,2,0,0,0,0|2,0,0]=4 3450 B10R0.13 CC(C)CC(C)C(N)C(N)=O Amb24750735 [0,2,0,0,0,0|2,0,0]=4 3451 B10R0.13 CC(C)CC(C)C(N)C(O)=O Amb25384855 [0,2,0,0,0,0|1,0,0]=3 3452 B10R0.13 CC(C)CC(N)C(O)C(O)=O Amb18645488 [0,2,0,0,0,0|2,0,0]=4 3453 B10R0.13 CC(C)CC(O)C(C)C(O)=O Amb18310730 [0,2,0,0,0,0|2,0,0]=4 3454 B10R0.13 CC(C)C[C@@H](N)[C@@H](C)C(O)=O Amb25385753 [0,2,0,0,0,0|2,0,0]=4 3455 B10R0.13 CC(C)C[C@@H](N)[C@@H](O)C(O)=O Amb22746335 [0,2,0,0,0,0|2,0,0]=4 3456 B10R0.13 CC(C)C[C@@H](O)[C@H](C)C(O)=O Amb25384994 [0,2,0,0,0,0|2,0,0]=4 3457 B10R0.13 CC(C)OC(C)C(N)C(O)=O Amb25386033 [0,2,0,0,0,0|2,0,0]=4 3458 B10R0.13 CC(CC(O)=O)C(N)C(O)=O Amb23440872 [0,2,0,0,0,0|2,0,0]=4 3459 B10R0.13 CC(O)CC(N)C(O)C(O)=O Amb25384591 [0,2,0,0,0,0|2,0,0]=4 3460 B10R0.13 CC(OP(C)=O)C(N)C(O)=O Amb25383442 [0,2,0,0,0,0|2,0,0]=4 3461 B10R0.13 C[C@@H](CC(O)=O)[C@@H](N)C(O)=O Amb19133152 [0,2,0,0,0,0|2,0,0]=4 3462 B10R0.13 C[C@@H](CC(O)=O)[C@H](N)C(O)=O Amb19133150 [0,2,0,0,0,0|2,0,0]=4 3463 B10R0.13 C[C@H](O)C[C@@H](N)[C@H](O)C(O)=O Amb25382155 [0,2,0,0,0,0|2,0,0]=4 3464 B10R0.13 C[C@H](O)C[C@H](O)[C@@H](O)C(O)=O Amb25385175 [0,2,0,0,0,0|2,0,0]=4 3465 B10R0.13 C[C@H](O)C[C@H](O)[C@H](O)C(O)=O Amb25385154 [0,2,0,0,0,0|2,0,0]=4 3466 B10R0.13 NC(C(O)CC(O)=O)C(O)=O Amb25383245 [0,2,0,0,0,0|2,0,0]=4 3467 B10R0.13 NC(CC(O)=O)C(N)C(O)=O Amb25386391 [0,2,0,0,0,0|2,0,0]=4 3468 B10R0.13 NC(CC(O)=O)[C@H](N)C(O)=O Amb24764806 [0,2,0,0,0,0|2,0,0]=4 3469 B10R0.13 N[C@@H](C(Cl)CC(O)=O)C(O)=O Amb24764556 [0,2,0,0,0,0|2,0,0]=4 3470 B10R0.13 N[C@@H](C(O)CC(O)=O)C(O)=O Amb22746926 [0,2,0,0,0,0|2,0,0]=4 3471 B10R0.13 N[C@@H]([C@@H](Cl)CC(O)=O)C(O)=O Amb25386256 [0,2,0,0,0,0|2,0,0]=4 3472 B10R0.13 N[C@@H]([C@@H](F)CC(O)=O)C(O)=O Amb25386225 [0,2,0,0,0,0|2,0,0]=4 3473 B10R0.13 N[C@@H]([C@H](F)CC(O)=O)C(O)=O Amb25386224 [0,2,0,0,0,0|2,0,0]=4 3474 B10R0.13 N[C@H](C(F)CC(O)=O)C(O)=O Amb25383802 [0,2,0,0,0,0|2,0,0]=4 3475 B10R0.13 OC(=O)C[C@@H]([C@H](C(=O)O)N)C Amb17617452 [0,2,0,0,0,0|2,0,0]=4 3476 B10R0.13 OC(=O)C[C@H]([C@@H](C(=O)O)N)C Amb17617455 [0,2,0,0,0,0|2,0,0]=4 3477 B10R0.35 CC(C(C)COC)C(=O)NO Amb24762315 [0,2,0,0,0,0|1,1,0]=4 3478 B10R0.35 CC(COC)C(N)C(=O)NC Amb24766531 [0,2,0,0,0,0|1,1,0]=4 3479 B10R0.35 CC(\C=C\C)C(N)C(=O)OC Amb24766403 [0,2,0,0,0,0|1,0,1]=4 3480 B10R0.35 C\C=C\[C@H](O)[C@@H](N)C(=O)OC Amb24764685 [0,2,0,0,0,0|1,0,1]=4 3481 B10R0.36 CCCC(Cl)C(N)(Cl)C(O)=O Amb25384500 [0,2,0,0,0,0|1,0,0]=3 3482 B10R0.36 CCCC(O)C(C)(C)C(O)=O Amb18310742 [0,2,0,0,0,0|2,0,0]=4 3483 B10R0.36 CCCC(O)[C@](C)(N)C(O)=O Amb25382980 [0,2,0,0,0,0|1,0,0]=3 3484 B10R0.36 CCC[C@@H](O)C(C)(C)C(O)=O Amb25382137 [0,2,0,0,0,0|2,0,0]=4 3485 B10R0.36 CCC[C@H](O)C(C)(C)C(O)=O Amb25382138 [0,2,0,0,0,0|2,0,0]=4 3486 B10R0.36 CCC[C@H](O)[C@](C)(N)C(O)=O Amb25384086 [0,2,0,0,0,0|1,0,0]=3 3487 B10R0.56 CC(C(N)C(O)=O)C(=O)CC Amb25384577 [0,2,0,0,0,0|1,0,1]=4 3488 B10R0.56 CC(C(N)C(O)=O)C(O)CO Amb25385170 [0,2,0,0,0,0|2,0,0]=4 3489 B10R0.56 CC(CC)C(N)C(O)C(O)=O Amb25386036 [0,2,0,0,0,0|2,0,0]=4 3490 B10R0.56 CC(OC)C(O)C(N)C(O)=O Amb24762947 [0,2,0,0,0,0|0,1,0]=3 3491 B10R0.56 CCC(C)C(C)C(C)C(O)=O Amb24761783 [0,2,0,0,0,0|2,0,0]=4 3492 B10R0.56 CCC(C)C(C)C(F)C(O)=O Amb24761997 [0,2,0,0,0,0|2,0,0]=4 3493 B10R0.56 CCC(C)C(O)C(C)C(O)=O Amb18182521 [0,2,0,0,0,0|2,0,0]=4 3494 B10R0.56 CNC(=O)[C@H](O)[C@@H](N)C(O)=O Amb25139365 [0,2,0,0,0,0|1,0,1]=4 3495 B10R0.56 COC(=O)C(O)C(N)C(O)=O Amb18645752 [0,2,0,0,0,0|0,1,1]=4 3496 B10R0.56 COC(C)C(C)C(O)C(O)=O Amb25381942 [0,2,0,0,0,0|1,1,0]=4 3497 B10R0.56 COC(C)C(O)C(C)C(O)=O Amb25385684 [0,2,0,0,0,0|1,1,0]=4 3498 B10R0.56 CO[C@H](C)[C@@H](O)C(C)C(O)=O Amb25381513 [0,2,0,0,0,0|1,1,0]=4 3499 B10R0.56 NC(C(O)C(O)CO)C(O)=O Amb25386025 [0,2,0,0,0,0|2,0,0]=4 3500 B10R0.56 N[C@@H]([C@@H](O)[C@H](O)CBr)C(O)=O Amb24765482 [0,2,0,0,0,0|2,0,0]=4 3501 B10R0.56 N[C@H]([C@@H](O)[C@@H](O)CO)C(O)=O Amb25385164 [0,2,0,0,0,0|2,0,0]=4 3502 B10R0.56 N[C@H]([C@H](O)[C@H](O)CO)C(O)=O Amb25384850 [0,2,0,0,0,0|2,0,0]=4 3503 B10R0.104 C=CCC(F)(F)C(N)C(O)=O Amb22547195 [0,2,0,0,0,0|1,0,1]=4 3504 B10R0.104 CC(C)(CC=C)C(N)C(O)=O Amb25385225 [0,2,0,0,0,0|1,0,1]=4 3505 B10R0.104 CCCC(C)(C)C(O)C(O)=O Amb25385207 [0,2,0,0,0,0|2,0,0]=4 3506 B10R0.104 CCCC(C)(O)C(C)C(O)=O Amb19022360 [0,2,0,0,0,0|2,0,0]=4 3507 B10R0.104 CCCC(C)(O)C(O)C(O)=O Amb25386048 [0,2,0,0,0,0|2,0,0]=4 3508 B10R0.104 CCOC(C)(C)[C@H](N)C(O)=O Amb25385189 [0,2,0,0,0,0|2,0,0]=4 3509 B10R0.104 CCSC(C)(C)[C@@H](N)C(O)=O Amb25380108 [0,2,0,0,0,0|2,0,0]=4 3510 B10R0.104 CCSC(C)(C)[C@H](N)C(O)=O Amb25380109 [0,2,0,0,0,0|2,0,0]=4 3511 B10R0.104 COCC(C)(C)C(O)C(O)=O Amb25384891 [0,2,0,0,0,0|1,1,0]=4 3512 B10R0.104 NCCC(F)(F)C(N)C(O)=O Amb25386232 [0,2,0,0,0,0|2,0,0]=4 3513 B10R0.43 CC(=C)CCC(C)(C)C(O)=O Amb18126019 [0,2,0,0,0,0|2,0,0]=4 3514 B10R0.43 CC(=O)CCC(C)(C)C(O)=O Amb18645019 [0,2,0,0,0,0|2,0,0]=4 3515 B10R0.43 CC(C)=CC[C@@](C)(N)C(O)=O Amb25361062 [0,2,0,0,0,0|1,0,1]=4 3516 B10R0.43 CC(C)=CC[C@](C)(N)C(O)=O Amb24559849 [0,2,0,0,0,0|1,0,1]=4 3517 B10R0.43 CC(C)CCC(C)(C)C(O)=O Amb18182372 [0,2,0,0,0,0|2,0,0]=4 3518 B10R0.43 CC(C)CCC(C)(F)C(O)=O Amb25383826 [0,2,0,0,0,0|2,0,0]=4 3519 B10R0.43 CC(C)CCC(C)(N)C(N)=O Amb18303455 [0,2,0,0,0,0|2,0,0]=4 3520 B10R0.43 CC(C)CCC(C)(O)C(O)=O Amb19011235 [0,2,0,0,0,0|2,0,0]=4 3521 B10R0.43 CC(C)CCC(F)(F)C(O)=O Amb25383699 [0,2,0,0,0,0|2,0,0]=4 3522 B10R0.43 CC(C)OCC(C)(N)C(O)=O Amb18788053 [0,2,0,0,0,0|2,0,0]=4 3523 B10R0.43 CC(C)SCC(C)(N)C(O)=O Amb18178454 [0,2,0,0,0,0|2,0,0]=4 3524 B10R0.43 CC(N)(CCC(N)=O)C(O)=O Amb25385217 [0,2,0,0,0,0|2,0,0]=4 3525 B10R0.43 CC(N)(CCC(O)=O)C(O)=O Amb22801426 [0,2,0,0,0,0|2,0,0]=4 3526 B10R0.43 CN(C)CCC(C)(N)C(N)=O Amb18800165 [0,2,0,0,0,0|2,0,0]=4 3527 B10R0.43 CN(C)CCC(C)(N)C(O)=O Amb18800387 [0,2,0,0,0,0|1,0,0]=3 3528 B10R0.43 CS(=O)CCC(C)(C)C(O)=O Amb24765541 [0,2,0,0,0,0|1,0,1]=4 3529 B10R0.43 C[C@](N)(CCB(O)O)C(O)=O Amb25383752 [0,2,0,0,0,0|2,0,0]=4 3530 B10R0.43 NC(=O)CCC(C(=O)O)(F)N Amb10839407 [0,2,0,0,0,0|2,0,0]=4 3531 B10R0.57 CC(=O)NC[C@@H](N)C(=O)OC Amb25385079 [0,2,0,0,0,0|2,0,0]=4 3532 B10R0.57 CC(C)=CC[C@@H](N)C(=O)OC Amb24764707 [0,2,0,0,0,0|1,0,1]=4 3533 B10R0.57 CC(C)=CC[C@H](N)C(=O)OC Amb24764709 [0,2,0,0,0,0|1,0,1]=4 3534 B10R0.57 COC(=O)[C@@H](CCC(=O)N)N Amb10844892 [0,2,0,0,0,0|2,0,0]=4 3535 B10R0.57 COC(=O)[C@@H](N)CCC(O)=O Amb22754032 [0,2,0,0,0,0|2,0,0]=4 3536 B10R0.57 NC(=O)CCC(N)C(=O)NO Amb25385851 [0,2,0,0,0,0|2,0,0]=4 3537 B10R0.57 NC(=O)CC[C@H](N)C(=O)NO Amb24764528 [0,2,0,0,0,0|2,0,0]=4 3538 B10R0.57 NC(C(=O)O[Na])CCC(=O)O Amb16224798 [0,2,0,0,0,0|2,0,0]=4 3539 B10R0.57 NC(CCC(O)=O)C(=O)O[Na] Amb22730975 [0,2,0,0,0,0|2,0,0]=4 3540 B10R0.82 C#CC(N)CCC(N)C(O)=O Amb24762938 [0,2,0,0,0,0|1,0,1]=4 3541 B10R0.82 CC(C#N)SCC(N)C(O)=O Amb19018858 [0,2,0,0,0,0|2,0,0]=4 3542 B10R0.82 CC(C#N)SC[C@@H](N)C(O)=O Amb18180438 [0,2,0,0,0,0|2,0,0]=4 3543 B10R0.82 CC(C#N)SC[C@H](N)C(O)=O Amb25380043 [0,2,0,0,0,0|2,0,0]=4 3544 B10R0.82 CC(CO)=CCC(N)C(O)=O Amb25385007 [0,2,0,0,0,0|1,0,1]=4 3545 B10R0.82 CC(CO)=CC[C@H](N)C(O)=O Amb25384231 [0,2,0,0,0,0|1,0,1]=4 3546 B10R0.82 CCC(=O)NC[C@H](N)C(O)=O Amb25383897 [0,2,0,0,0,0|1,0,1]=4 3547 B10R0.82 CCC(C)CCC(C)C(O)=O Amb22641847 [0,2,0,0,0,0|2,0,0]=4 3548 B10R0.82 CCS(=O)CCC(N)C(O)=O Amb22730104 [0,2,0,0,0,0|0,0,1]=3 3549 B10R0.82 CN=[N+]([O-])CCC(N)C(O)=O Amb25384605 [0,2,0,0,0,0|1,0,0]=3 3550 B10R0.82 CN=[N+]([O-])CC[C@H](N)C(O)=O Amb25384249 [0,2,0,0,0,0|1,0,0]=3 3551 B10R0.82 CNC(=O)CCC(N)C(O)=O Amb18645293 [0,2,0,0,0,0|1,0,0]=3 3552 B10R0.82 CNC(=O)NCC(N)C(O)=O Amb25806000 [0,2,0,0,0,0|1,0,1]=4 3553 B10R0.82 CNC(=O)NC[C@H](N)C(O)=O Amb25361972 [0,2,0,0,0,0|1,0,1]=4 3554 B10R0.82 CNC(=O)OCC(N)C(O)=O Amb25385001 [0,2,0,0,0,0|1,0,1]=4 3555 B10R0.82 CNC(=O)SCC(N)C(O)=O Amb25383453 [0,2,0,0,0,0|1,0,1]=4 3556 B10R0.82 CNC(=O)SC[C@@H](C(=O)O)N Amb17617278 [0,2,0,0,0,0|1,0,1]=4 3557 B10R0.82 CNC(=O)SC[C@@H](N)C(O)=O Amb19133092 [0,2,0,0,0,0|1,0,1]=4 3558 B10R0.82 COC(=O)CC[C@@H](C(=O)O)[NH3+] Amb10574405 [0,2,0,0,0,0|0,1,1]=4 3559 B10R0.82 COC(=O)CC[C@@H](C)C(O)=O Amb22801605 [0,2,0,0,0,0|1,1,0]=4 3560 B10R0.82 COC(=O)CC[C@@H](N)C(N)=O Amb22801394 [0,2,0,0,0,0|1,1,0]=4 3561 B10R0.82 COC(=O)CC[C@@H](N)C(O)=O Amb22746068 [0,2,0,0,0,0|0,1,0]=3 3562 B10R0.82 COC(=O)CC[C@H](C(=O)O)N Amb16183875 [0,2,0,0,0,0|0,1,0]=3 3563 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb22432474 [0,2,0,0,0,0|1,1,0]=4 3564 B10R0.82 COC(=O)CC[C@H](N)C(O)=O Amb22336436 [0,2,0,0,0,0|0,1,0]=3 3565 B10R0.82 COC(=O)NC[C@H](N)C(O)=O Amb25383797 [0,2,0,0,0,0|0,1,1]=4 3566 B10R0.82 C[C@H](CC)SCC(N)C(O)=O Amb22802432 [0,2,0,0,0,0|1,0,0]=3 3567 B10R0.82 C\C(\CO)=C/C[C@H](N)C(O)=O Amb24763010 [0,2,0,0,0,0|1,0,1]=4 3568 B10R0.82 C\N=[N+](\[O-])/CC[C@H](N)C(O)=O Amb25379956 [0,2,0,0,0,0|1,0,0]=3 3569 B10R0.82 NC(CCC(=O)CCl)C(O)=O Amb21929315 [0,2,0,0,0,0|1,0,0]=3 3570 B10R0.82 NC(CCC(=O)NO)C(O)=O Amb22350145 [0,2,0,0,0,0|2,0,0]=4 3571 B10R0.82 NC(CCP(=O)CO)C([O-])=O Amb22167951 [0,2,0,0,0,0|1,0,1]=4 3572 B10R0.82 NC(C\C=C(\Cl)/CO)C(O)=O Amb25386044 [0,2,0,0,0,0|1,0,1]=4 3573 B10R0.82 NCC(CCC(C(=O)O)N)F Amb10839781 [0,2,0,0,0,0|1,0,0]=3 3574 B10R0.82 NNC(=O)CC[C@@H](N)C(O)=O Amb22800002 [0,2,0,0,0,0|2,0,0]=4 3575 B10R0.82 NNC(=O)CC[C@H](N)C(O)=O Amb25379957 [0,2,0,0,0,0|2,0,0]=4 3576 B10R0.82 N[C@@H](CCC(F)CN)C(O)=O Amb24087707 [0,2,0,0,0,0|1,0,0]=3 3577 B10R0.82 N[C@@H](CC[C@@H](O)CN)C(O)=O Amb22369708 [0,2,0,0,0,0|1,0,0]=3 3578 B10R0.82 N[C@@H](CC[C@@H](O)CN)C(O)=O Amb22747912 [0,2,0,0,0,0|1,0,0]=3 3579 B10R0.82 N[C@@H](CC[C@@H](O)CN)C(O)=O Amb24121192 [0,2,0,0,0,0|1,0,0]=3 3580 B10R0.82 N[C@@H](CC[C@H](O)CN)C(O)=O Amb24117040 [0,2,0,0,0,0|1,0,0]=3 3581 B10R0.82 N[C@@H](CNC(=O)CCl)C(O)=O Amb25386345 [0,2,0,0,0,0|2,0,0]=4 3582 B10R0.82 N[C@@H](CNC(=O)CI)C(O)=O Amb25383795 [0,2,0,0,0,0|2,0,0]=4 3583 B10R0.84 CC(C)CCC(C#N)C(O)=O Amb25386199 [0,2,0,0,0,0|1,0,1]=4 3584 B10R0.84 CNC(C(=O)O)CCC(=O)O Amb13884886 [0,2,0,0,0,0|2,0,0]=4 3585 B10R0.84 CN[C@@H](C(=O)O)CCC(=O)O Amb10604040 [0,2,0,0,0,0|2,0,0]=4 3586 B10R0.84 CN[C@@H](CCC(N)=O)C(O)=O Amb22270246 [0,2,0,0,0,0|2,0,0]=4 3587 B10R0.84 CN[C@@H](CCC(O)=O)C(O)=O Amb24117978 [0,2,0,0,0,0|2,0,0]=4 3588 B10R0.84 CN[C@H](C(=O)O)CCC(=O)O Amb13884885 [0,2,0,0,0,0|2,0,0]=4 3589 B10R0.92 CC(C)(C)CCC(F)C(O)=O Amb25383952 [0,2,0,0,0,0|2,0,0]=4 3590 B10R0.92 CC(C)(C)CCC(N)C(O)=O Amb18307415 [0,2,0,0,0,0|1,0,0]=3 3591 B10R0.92 CC(C)(C)CC[C@@H](N)C(O)=O Amb25383852 [0,2,0,0,0,0|1,0,0]=3 3592 B10R0.92 CC(C)(C)NCC(N)C(O)=O Amb25381535 [0,2,0,0,0,0|2,0,0]=4 3593 B10R0.92 CC(C)(C)SCC(N)C(O)=O Amb18790874 [0,2,0,0,0,0|2,0,0]=4 3594 B10R0.92 CC(C)(C)SC[C@@H](N)C(O)=O Amb22745248 [0,2,0,0,0,0|2,0,0]=4 3595 B10R0.92 CC(C)(N)CCC(N)C(O)=O Amb23555801 [0,2,0,0,0,0|1,0,0]=3 3596 B10R0.92 CC(CCC(C)(C)C)C(O)=O Amb18307461 [0,2,0,0,0,0|2,0,0]=4 3597 B10R0.92 CC(CCS(C)(=O)=O)C(O)=O Amb18305099 [0,2,0,0,0,0|1,0,1]=4 3598 B10R0.92 CC(F)(F)CC[C@@H](N)C(O)=O Amb25383712 [0,2,0,0,0,0|1,0,0]=3 3599 B10R0.92 CP(O)(=O)CCC(N)C(N)=O Amb24764769 [0,2,0,0,0,0|2,0,0]=4 3600 B10R0.92 CP(O)(=O)CC[C@@H](N)C(O)=O Amb25384851 [0,2,0,0,0,0|1,0,0]=3 3601 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(O)=O Amb19133023 [0,2,0,0,0,0|0,0,1]=3 3602 B10R0.92 CS(=N)(O)CC[C@H](N)C(O)=O Amb25382127 [0,2,0,0,0,0|0,0,1]=3 3603 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(O)=O Amb22745329 [0,2,0,0,0,0|0,0,1]=3 3604 B10R0.92 CS(=O)(=O)CC[C@H](N)C(N)=O Amb24764706 [0,2,0,0,0,0|1,0,1]=4 3605 B10R0.92 CS(=O)(=O)NC[C@H](N)C(O)=O Amb25384881 [0,2,0,0,0,0|1,0,1]=4 3606 B10R0.92 CS(=O)(=O)SC[C@@H](N)C(O)=O Amb19130403 [0,2,0,0,0,0|1,0,1]=4 3607 B10R0.92 CS(C)(Cl)CCC(N)C(O)=O Amb25384324 [0,2,0,0,0,0|0,0,1]=3 3608 B10R0.92 CS(C)(Cl)CC[C@H](N)C(O)=O Amb25386379 [0,2,0,0,0,0|0,0,1]=3 3609 B10R0.92 CS(C)(O)CCC(N)C(O)=O Amb25384929 [0,2,0,0,0,0|0,0,1]=3 3610 B10R0.92 C[S@@](=N)(=O)CC[C@@H](N)C(O)=O Amb19133024 [0,2,0,0,0,0|0,0,1]=3 3611 B10R0.92 C[Si](C)(C)CC[C@@H](N)C(O)=O Amb25384952 [0,2,0,0,0,0|1,0,0]=3 3612 B10R0.92 C[Si](C)(C)CC[C@H](N)C(O)=O Amb25384951 [0,2,0,0,0,0|1,0,0]=3 3613 B10R0.92 C[Si](C)(C)OCC(N)C(O)=O Amb25385227 [0,2,0,0,0,0|2,0,0]=4 3614 B10R0.92 NC(CCP([O-])(O)=O)C(O)=O Amb19929419 [0,2,0,0,0,0|2,0,0]=4 3615 B10R0.92 N[C@@H](CCC(F)(F)F)C(O)=O Amb19889289 [0,2,0,0,0,0|2,0,0]=4 3616 B10R0.92 N[C@@H](CCP(O)(O)=S)C(O)=O Amb19929411 [0,2,0,0,0,0|2,0,0]=4 3617 B10R0.92 N[C@@H](CCS(O)(=O)=O)C(O)=O Amb22230810 [0,2,0,0,0,0|1,0,1]=4 3618 B10R0.92 N[C@H](C(=O)O)COC(C)(C)C Amb10844851 [0,2,0,0,0,0|2,0,0]=4 3619 B10R0.92 N[C@H](CCC(F)(F)F)C(O)=O Amb19889288 [0,2,0,0,0,0|2,0,0]=4 3620 B10R0.92 OC(=O)C(CCP(=O)(O)C)N Amb10072511 [0,2,0,0,0,0|1,0,0]=3 3621 B10R0.92 OC(=O)C(CCS(=O)(=O)C)N Amb1905637 [0,2,0,0,0,0|0,0,1]=3 3622 B10R0.92 OC(=O)[C@H](CC[S@@](=O)(=N)C)N Amb17616898 [0,2,0,0,0,0|0,0,1]=3 3623 B10R0.92 OC(=O)[C@H](CC[S@](=O)(=N)C)N Amb17616899 [0,2,0,0,0,0|0,0,1]=3 3624 B10R0.92 OC(=O)[C@H](CSS(=O)(=O)C)N Amb17607936 [0,2,0,0,0,0|1,0,1]=4 3625 B10R0.92 [O-]C(=O)C(CCP(=O)(O)C)N Amb16233947 [0,2,0,0,0,0|1,0,1]=4 3626 B10R0.93 CC(=O)C(N)CC(C)C(O)=O Amb24765255 [0,2,0,0,0,0|2,0,0]=4 3627 B10R0.93 CC(=O)[C@@H](N)C[C@@H](C)C(O)=O Amb25384326 [0,2,0,0,0,0|2,0,0]=4 3628 B10R0.93 CC(C)C(=O)CC(N)C(O)=O Amb25385142 [0,2,0,0,0,0|1,0,1]=4 3629 B10R0.93 CC(C)C(=O)C[C@H](N)C(O)=O Amb25385141 [0,2,0,0,0,0|1,0,1]=4 3630 B10R0.93 CC(C)C(C)CC(O)C(O)=O Amb25385155 [0,2,0,0,0,0|2,0,0]=4 3631 B10R0.93 CC(C)C(F)C[C@H](N)C(O)=O Amb25383169 [0,2,0,0,0,0|1,0,0]=3 3632 B10R0.93 CC(C)C(N)CC(O)C(O)=O Amb25383445 [0,2,0,0,0,0|2,0,0]=4 3633 B10R0.93 CC(C)C(O)CC(C)C(O)=O Amb18182511 [0,2,0,0,0,0|2,0,0]=4 3634 B10R0.93 CC(C)N(C)CC(N)C(O)=O Amb18800376 [0,2,0,0,0,0|2,0,0]=4 3635 B10R0.93 CC(C)S(=O)CC(N)C(O)=O Amb25380464 [0,2,0,0,0,0|2,0,0]=4 3636 B10R0.93 CC(C)S(=O)C[C@H](N)C(O)=O Amb25384897 [0,2,0,0,0,0|2,0,0]=4 3637 B10R0.93 CC(C)[C@@H](C)C[C@H](N)C(O)=O Amb25384069 [0,2,0,0,0,0|1,0,0]=3 3638 B10R0.93 CC(C)[C@H](C)C[C@H](N)C(O)=O Amb25384068 [0,2,0,0,0,0|1,0,0]=3 3639 B10R0.93 CC(C)[C@H](F)C[C@@H](N)C(O)=O Amb25384964 [0,2,0,0,0,0|1,0,0]=3 3640 B10R0.93 CC(C)[C@H](F)C[C@H](N)C(O)=O Amb25384963 [0,2,0,0,0,0|1,0,0]=3 3641 B10R0.93 CC(CC(N)C(O)=O)C(Cl)Cl Amb24765257 [0,2,0,0,0,0|2,0,0]=4 3642 B10R0.93 CC(CC(N)C(O)=O)C(O)=O Amb23440871 [0,2,0,0,0,0|2,0,0]=4 3643 B10R0.93 CC(CC(N)C(O)=O)C(O)O Amb24764390 [0,2,0,0,0,0|2,0,0]=4 3644 B10R0.93 CC(C[C@H](N)C(O)=O)C(Cl)Cl Amb25384498 [0,2,0,0,0,0|2,0,0]=4 3645 B10R0.93 CC(C[C@H](N)C(O)=O)C(N)=O Amb25386389 [0,2,0,0,0,0|2,0,0]=4 3646 B10R0.93 CC(C[C@H](N)C(O)=O)C(O)O Amb25384090 [0,2,0,0,0,0|2,0,0]=4 3647 B10R0.93 CN(C)C(=O)C[C@H](N)C(O)=O Amb25384949 [0,2,0,0,0,0|1,0,1]=4 3648 B10R0.93 C[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb19133151 [0,2,0,0,0,0|2,0,0]=4 3649 B10R0.93 C[C@@H](C[C@H](N)C(O)=O)C(Cl)Cl Amb25384389 [0,2,0,0,0,0|2,0,0]=4 3650 B10R0.93 C[C@@H](O)[C@H](O)C[C@@H](N)C(O)=O Amb25382130 [0,2,0,0,0,0|1,0,0]=3 3651 B10R0.93 C[C@H](C[C@H](N)C(O)=O)C(Cl)Cl Amb25385949 [0,2,0,0,0,0|2,0,0]=4 3652 B10R0.93 C[C@H](O)[C@@H](O)C[C@H](N)C(O)=O Amb25382131 [0,2,0,0,0,0|1,0,0]=3 3653 B10R0.93 C[C@H](O)[C@H](O)C[C@@H](N)C(O)=O Amb25382129 [0,2,0,0,0,0|1,0,0]=3 3654 B10R0.93 F[C@H](C(=O)N)C[C@@H](C(=O)O)N Amb10839753 [0,2,0,0,0,0|2,0,0]=4 3655 B10R0.93 F[C@H](C(=O)N)C[C@H](C(=O)O)N Amb10839752 [0,2,0,0,0,0|2,0,0]=4 3656 B10R0.93 NC(=O)C(F)CC(N)C(O)=O Amb25386442 [0,2,0,0,0,0|2,0,0]=4 3657 B10R0.93 NC(=O)C(F)C[C@H](N)C(O)=O Amb25383170 [0,2,0,0,0,0|2,0,0]=4 3658 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(O)=O Amb25384972 [0,2,0,0,0,0|2,0,0]=4 3659 B10R0.93 NC(CC(N)C(O)=O)C(O)=O Amb24117887 [0,2,0,0,0,0|2,0,0]=4 3660 B10R0.93 NC(O)C(O)CC(N)C(O)=O Amb25386028 [0,2,0,0,0,0|2,0,0]=4 3661 B10R0.93 N[C@@H](CC(F)C(O)=O)C(O)=O Amb22800491 [0,2,0,0,0,0|2,0,0]=4 3662 B10R0.93 N[C@@H](C[C@@H](F)C(O)=O)C(O)=O Amb24055860 [0,2,0,0,0,0|2,0,0]=4 3663 B10R0.93 N[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb22746048 [0,2,0,0,0,0|2,0,0]=4 3664 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22388564 [0,2,0,0,0,0|2,0,0]=4 3665 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22745417 [0,2,0,0,0,0|2,0,0]=4 3666 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb22800665 [0,2,0,0,0,0|2,0,0]=4 3667 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb24117514 [0,2,0,0,0,0|2,0,0]=4 3668 B10R0.93 N[C@H](C[C@@H](N)C(O)=O)C(O)=O Amb22388558 [0,2,0,0,0,0|2,0,0]=4 3669 B10R0.93 N[C@H](C[C@@H](O)C(O)=O)C(O)=O Amb25386295 [0,2,0,0,0,0|2,0,0]=4 3670 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)F)N Amb10839750 [0,2,0,0,0,0|2,0,0]=4 3671 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)N)C Amb10807462 [0,2,0,0,0,0|2,0,0]=4 3672 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)F)N Amb10839751 [0,2,0,0,0,0|2,0,0]=4 3673 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)N)C Amb17617454 [0,2,0,0,0,0|2,0,0]=4 3674 B10R0.19 CCCCC(N)C(=O)NCC Amb18179826 [0,2,0,0,0,0|2,0,0]=4 3675 B10R0.19 CCNC(=O)C(N)CCSC Amb23555057 [0,2,0,0,0,0|1,0,0]=3 3676 B10R0.19 CCOC(=O)C(O)CCSC Amb18186249 [0,2,0,0,0,0|1,0,0]=3 3677 B10R0.19 CCOC(=O)[C@@H](N)CCCN Amb22745899 [0,2,0,0,0,0|2,0,0]=4 3678 B10R0.19 COCCC(N)C(=O)NC#N Amb24762223 [0,2,0,0,0,0|1,1,0]=4 3679 B10R0.19 CSCC[C@@H](N)C(=O)NC#N Amb25380387 [0,2,0,0,0,0|1,0,0]=3 3680 B10R0.19 C\C=C\CC(N)C(=O)OCC Amb24117498 [0,2,0,0,0,0|1,0,1]=4 3681 B10R0.19 NCCC[C@@H](C(=O)OCC)N Amb16234080 [0,2,0,0,0,0|2,0,0]=4 3682 B10R0.46 COC(=O)CC(N)C(=O)OC Amb18126274 [0,2,0,0,0,0|0,1,1]=4 3683 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC Amb19372612 [0,2,0,0,0,0|0,1,1]=4 3684 B10R0.46 COC(=O)C[C@H](C(=O)OC)N Amb16183880 [0,2,0,0,0,0|0,1,1]=4 3685 B10R0.83 CC=C=CCC(N)C(=O)OC Amb24764814 [0,2,0,0,0,0|1,0,1]=4 3686 B10R0.83 CCCC#CC(N)C(=O)OC Amb25258632 [0,2,0,0,0,0|1,0,1]=4 3687 B10R0.83 CCCCCC(N)C(=O)OC Amb18792090 [0,2,0,0,0,0|1,0,0]=3 3688 B10R0.83 CCCCCC(N)C(=O)OC Amb20622672 [0,2,0,0,0,0|1,0,0]=3 3689 B10R0.83 CCCCCC(O)C(=O)OC Amb18183408 [0,2,0,0,0,0|2,0,0]=4 3690 B10R0.83 CNC(=O)C(N)CCCCN Amb23443536 [0,2,0,0,0,0|2,0,0]=4 3691 B10R0.83 COC(=O)C(Br)CCCCBr Amb22367977 [0,2,0,0,0,0|2,0,0]=4 3692 B10R0.83 COC(=O)C(N)CCCCN Amb22349641 [0,2,0,0,0,0|1,0,0]=3 3693 B10R0.83 COC(=O)[C@@H](N)CCCCN Amb19930733 [0,2,0,0,0,0|1,0,0]=3 3694 B10R0.83 COC(=O)[C@@H](N)CCCCN Amb22230819 [0,2,0,0,0,0|1,0,0]=3 3695 B10R0.83 NCCCC[C@@H](N)C(=O)NO Amb22800930 [0,2,0,0,0,0|1,0,0]=3 3696 B10R0.85 CCCCC(CC)C(=O)O[Na] Amb22411561 [0,2,0,0,0,0|2,0,0]=4 3697 B10R0.85 CCCCC(NC)C(=O)OC Amb18787860 [0,2,0,0,0,0|1,0,0]=3 3698 B10R0.85 COC(=O)C(COCC)NC Amb18788062 [0,2,0,0,0,0|2,0,0]=4 3699 B10R0.85 [C-]#[N+]C(CC[Se]C)C(=O)OC Amb19928640 [0,2,0,0,0,0|0,1,1]=4 3700 B10R0.124 CCCCC(F)(F)C(=O)OC Amb20621595 [0,2,0,0,0,0|2,0,0]=4 3701 B10R0.124 COC(=O)C(C)(N)CCC#N Amb18125981 [0,2,0,0,0,0|2,0,0]=4 3702 B10R0.124 COCCC(C)(N)C(=O)OC Amb18183461 [0,2,0,0,0,0|0,1,0]=3 3703 B10R0.124 CSCCC(C)(C)C(=O)NN Amb24765647 [0,2,0,0,0,0|2,0,0]=4 3704 B10R0.17 CC(N)=C(CCOC)C(O)=O Amb25382124 [0,2,0,0,0,0|0,1,1]=4 3705 B10R0.17 CCCCC(C(N)=O)N(C)C Amb24116643 [0,2,0,0,0,0|2,0,0]=4 3706 B10R0.17 CCCCC(C(O)=O)N(C)C Amb18787861 [0,2,0,0,0,0|1,0,0]=3 3707 B10R0.17 CSCCC(C(N)=O)=C(O)O Amb24764772 [0,2,0,0,0,0|0,0,2]=4 3708 B10R0.86 CCC(OCCNC)C(O)=O Amb18630743 [0,2,0,0,0,0|2,0,0]=4 3709 B10R0.86 CCCCCC(CC)C(O)=O Amb18791930 [0,2,0,0,0,0|2,0,0]=4 3710 B10R0.88 CCCCC(C(=O)O)CCC Amb17619602 [0,2,0,0,0,0|2,0,0]=4 3711 B10R0.88 CCCC[C@@H](NC=O)C(O)=O Amb22799714 [0,2,0,0,0,0|1,0,0]=3 3712 B10R0.88 CSCC[C@@H](C(=O)O)NC=O Amb16232222 [0,2,0,0,0,0|0,0,0]=2 3713 B10R0.88 CSCC[C@@H](NC=O)C(O)=O Amb18180656 [0,2,0,0,0,0|0,0,0]=2 3714 B10R0.88 N#CCCC(NC=O)C(O)=O Amb25386038 [0,2,0,0,0,0|2,0,0]=4 3715 B10R0.133 CCC(N)(CCSC)C(O)=O Amb22371494 [0,2,0,0,0,0|0,0,0]=2 3716 B10R0.133 CCCC[C@@](C(=O)O)(CC)N Amb10066993 [0,2,0,0,0,0|1,0,0]=3 3717 B10R0.133 CCCC[C@](C(=O)O)(CC)N Amb10066995 [0,2,0,0,0,0|1,0,0]=3 3718 B10R0.26 C#CCS(=O)CC(N)C(O)=O Amb25386041 [0,2,0,0,0,0|1,0,1]=4 3719 B10R0.26 C=CC[S@+]([O-])C[C@H](N)C(O)=O Amb22352986 [0,2,0,0,0,0|1,0,1]=4 3720 B10R0.26 CC(CCC)CC(N)C(O)=O Amb18183357 [0,2,0,0,0,0|1,0,0]=3 3721 B10R0.26 CCCS(=O)C[C@@H](N)C(O)=O Amb22904243 [0,2,0,0,0,0|1,0,0]=3 3722 B10R0.26 CCNC(=O)C[C@@H](N)C(O)=O Amb25382161 [0,2,0,0,0,0|1,0,1]=4 3723 B10R0.26 CSCC(=O)N[C@@H](C)C(O)=O Amb18180655 [0,2,0,0,0,0|1,0,1]=4 3724 B10R0.26 CSCC(=O)N[C@H](C)C(O)=O Amb24761981 [0,2,0,0,0,0|1,0,1]=4 3725 B10R0.26 CSCC(C)NC(=O)C(O)=O Amb24756168 [0,2,0,0,0,0|1,0,1]=4 3726 B10R0.26 C\C=C\C(C)CC(C)C(O)=O Amb25383434 [0,2,0,0,0,0|2,0,0]=4 3727 B10R0.26 C\C=C\S(=O)C[C@@H](N)C(O)=O Amb22904244 [0,2,0,0,0,0|1,0,1]=4 3728 B10R0.26 NC(C(=O)O)CS(=O)CC=C Amb10845211 [0,2,0,0,0,0|1,0,1]=4 3729 B10R0.26 NC(CC(=O)NCO)C(O)=O Amb25386046 [0,2,0,0,0,0|1,0,1]=4 3730 B10R0.26 N[C@@H](C(=O)O)CS(=O)CC=C Amb16193379 [0,2,0,0,0,0|1,0,1]=4 3731 B10R0.26 N[C@@H](C[S@@](=O)CC=C)C(O)=O Amb17772364 [0,2,0,0,0,0|1,0,1]=4 3732 B10R0.26 N[C@H](CS(=O)CC#N)C(O)=O Amb25383719 [0,2,0,0,0,0|2,0,0]=4 3733 B10R0.26 [O-][S+](CC=C)CC(C(=O)O)N Amb10549967 [0,2,0,0,0,0|1,0,1]=4 3734 B10R0.47 CCC(C)CC(C)(C)C(O)=O Amb18182374 [0,2,0,0,0,0|2,0,0]=4 3735 B10R0.47 CCC(C)CC(C)(N)C(O)=O Amb25384592 [0,2,0,0,0,0|1,0,0]=3 3736 B10R0.47 CCN(C)CC(C)(N)C(O)=O Amb18183424 [0,2,0,0,0,0|2,0,0]=4 3737 B10R0.47 COC(=O)CC(C)(N)C(O)=O Amb25383846 [0,2,0,0,0,0|0,1,1]=4 3738 B10R0.47 COC(=O)C[C@@](C)(N)C(O)=O Amb25383988 [0,2,0,0,0,0|0,1,1]=4 3739 B10R0.47 COC(C)CC(C)(N)C(N)=O Amb25383133 [0,2,0,0,0,0|1,1,0]=4 3740 B10R0.47 COC(C)CC(C)(N)C(O)=O Amb25383134 [0,2,0,0,0,0|0,1,0]=3 3741 B10R0.47 COC(C)CC(C)(O)C(O)=O Amb25384278 [0,2,0,0,0,0|1,1,0]=4 3742 B10R0.47 C[C@@](N)(C[C@H](N)CO)C(O)=O Amb25384995 [0,2,0,0,0,0|2,0,0]=4 3743 B10R0.67 CC(C)(C[C@H](N)C(O)=O)CO Amb25385185 [0,2,0,0,0,0|2,0,0]=4 3744 B10R0.67 CCC(C)(O)CC(C)C(O)=O Amb24754909 [0,2,0,0,0,0|2,0,0]=4 3745 B10R0.67 CCS(=O)(=O)CC(N)C(O)=O Amb25380471 [0,2,0,0,0,0|2,0,0]=4 3746 B10R0.67 COC(C)(C)CC(C)C(O)=O Amb18305510 [0,2,0,0,0,0|1,1,0]=4 3747 B10R0.67 COC(C)(C)C[C@@H](N)C(O)=O Amb24764653 [0,2,0,0,0,0|0,1,0]=3 3748 B10R0.67 COC(C)(C)C[C@H](N)C(O)=O Amb24764652 [0,2,0,0,0,0|0,1,0]=3 3749 B10R0.67 COS(=O)(=O)CC(N)C(O)=O Amb25386027 [0,2,0,0,0,0|1,1,0]=4 3750 B10R0.67 CSC(C)(C)CC(Cl)C(N)=O Amb24765583 [0,2,0,0,0,0|2,0,0]=4 3751 B10R0.67 CSC(C)(C)CC(N)C(N)=O Amb24764914 [0,2,0,0,0,0|1,0,0]=3 3752 B10R0.67 C[C@@](O)(C[C@H](N)C(O)=O)CO Amb25385230 [0,2,0,0,0,0|2,0,0]=4 3753 B10R0.67 NCC(F)(F)C[C@@H](N)C(O)=O Amb25383715 [0,2,0,0,0,0|2,0,0]=4 3754 B10R0.67 NCC(F)(F)C[C@H](N)C(O)=O Amb24763013 [0,2,0,0,0,0|2,0,0]=4 3755 B10R0.67 N[C@@H](CC(F)(F)CBr)C(O)=O Amb24750659 [0,2,0,0,0,0|2,0,0]=4 3756 B10R0.72 C#CC(CO)CC(N)C(O)=O Amb25382157 [0,2,0,0,0,0|1,0,1]=4 3757 B10R0.72 C#CC(CO)C[C@H](N)C(O)=O Amb25382158 [0,2,0,0,0,0|1,0,1]=4 3758 B10R0.72 CCN(CC(N)C(O)=O)CC Amb18800375 [0,2,0,0,0,0|2,0,0]=4 3759 B10R0.72 CCN(C[C@@H](N)C(O)=O)CC Amb24078634 [0,2,0,0,0,0|2,0,0]=4 3760 B10R0.72 CCN(C[C@H](N)C(O)=O)CC Amb24078635 [0,2,0,0,0,0|2,0,0]=4 3761 B10R0.42 CC#CCCC(C)(C)C(O)=O Amb25704965 [0,2,0,0,0,0|2,0,0]=4 3762 B10R0.42 CCCCCC(C)(C)C(O)=O Amb18182373 [0,2,0,0,0,0|2,0,0]=4 3763 B10R0.42 CCCCSC(C(=O)O)(C)C Amb17501482 [0,2,0,0,0,0|2,0,0]=4 3764 B10R0.42 CNCCOC(C)(C)C(O)=O Amb18111854 [0,2,0,0,0,0|2,0,0]=4 3765 B10R0.42 C[C@@](N)(C\C=C\CN)C(O)=O Amb24763008 [0,2,0,0,0,0|1,0,1]=4 3766 B10R0.42 C[C@](N)(C\C=C\CN)C(O)=O Amb25383154 [0,2,0,0,0,0|1,0,1]=4 3767 B10R0.42 C\C=C\CCC(C)(C)C(O)=O Amb25385712 [0,2,0,0,0,0|2,0,0]=4 3768 B10R0.42 OCCCCC(O)(O)C(O)=O Amb24113204 [0,2,0,0,0,0|2,0,0]=4 3769 B10R0.75 C=CCCCC[C@@H](N)C(O)=O Amb22747247 [0,2,0,0,0,0|1,0,0]=3 3770 B10R0.75 C=CCCCC[C@H](N)C(O)=O Amb22270014 [0,2,0,0,0,0|1,0,0]=3 3771 B10R0.75 CC#CCCCC(C)C(O)=O Amb25380144 [0,2,0,0,0,0|2,0,0]=4 3772 B10R0.75 CC#CCCCC(N)C(N)=O Amb24762939 [0,2,0,0,0,0|2,0,0]=4 3773 B10R0.75 CC#CCCC[C@@H](N)C(O)=O Amb25383152 [0,2,0,0,0,0|1,0,0]=3 3774 B10R0.75 CC#CCCC[C@H](N)C(O)=O Amb25382982 [0,2,0,0,0,0|1,0,0]=3 3775 B10R0.75 CC#CCSCC(N)C(O)=O Amb18183766 [0,2,0,0,0,0|1,0,0]=3 3776 B10R0.75 CC#CCSC[C@@H](N)C(O)=O Amb18803385 [0,2,0,0,0,0|1,0,0]=3 3777 B10R0.75 CC(C(=O)O)SCCCCN Amb17500920 [0,2,0,0,0,0|2,0,0]=4 3778 B10R0.75 CCCCC#CC(C)C(O)=O Amb24484963 [0,2,0,0,0,0|2,0,0]=4 3779 B10R0.75 CCCCC#CC(O)C(O)=O Amb24538170 [0,2,0,0,0,0|2,0,0]=4 3780 B10R0.75 CCCCCCC(C(=O)O)C Amb10843971 [0,2,0,0,0,0|2,0,0]=4 3781 B10R0.75 CCCCCC[C@H](C(=O)O)N Amb16183913 [0,2,0,0,0,0|1,0,0]=3 3782 B10R0.75 NCCCSC[C@@H](N)C(O)=O Amb22454567 [0,2,0,0,0,0|1,0,0]=3 3783 B10R0.75 NCCOCCC(N)C(O)=O Amb24081026 [0,2,0,0,0,0|0,1,0]=3 3784 B10R0.75 N[C@@H](CCC#CCCl)C(O)=O Amb25132299 [0,2,0,0,0,0|1,0,0]=3 3785 B10R0.75 N[C@@H](CSCCC#N)C(O)=O Amb19131338 [0,2,0,0,0,0|1,0,1]=4 3786 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [0,2,0,0,0,0|1,0,0]=3 3787 B10R0.98 CC(=O)NCC[C@@H](C)C(O)=O Amb25384439 [0,2,0,0,0,0|2,0,0]=4 3788 B10R0.98 CC(=O)NCC[C@H](C)C(O)=O Amb25384440 [0,2,0,0,0,0|2,0,0]=4 3789 B10R0.98 CC(=O)NOCC(N)C(O)=O Amb25385232 [0,2,0,0,0,0|2,0,0]=4 3790 B10R0.98 CC(=O)OCC[C@@H](N)C(O)=O Amb19130288 [0,2,0,0,0,0|0,1,0]=3 3791 B10R0.98 CC(C(=O)O)NCCC(C)C Amb10609116 [0,2,0,0,0,0|2,0,0]=4 3792 B10R0.98 CC(C)=C=CCC(N)C(O)=O Amb24710300 [0,2,0,0,0,0|1,0,1]=4 3793 B10R0.98 CC(C)=CCCC(C)C(O)=O Amb18644857 [0,2,0,0,0,0|2,0,0]=4 3794 B10R0.98 CC(C)=CCCC(O)C(O)=O Amb24762777 [0,2,0,0,0,0|2,0,0]=4 3795 B10R0.98 CC(C)=CCC[C@@H](C)C(O)=O Amb25385187 [0,2,0,0,0,0|2,0,0]=4 3796 B10R0.98 CC(C)=CCC[C@H](C)C(O)=O Amb25384978 [0,2,0,0,0,0|2,0,0]=4 3797 B10R0.98 CC(C)=CCC[C@H](N)C(O)=O Amb25383796 [0,2,0,0,0,0|1,0,0]=3 3798 B10R0.98 CC(C)=CSCC(N)C(O)=O Amb25386034 [0,2,0,0,0,0|1,0,1]=4 3799 B10R0.98 CC(C)CCC[C@@H](N)C(O)=O Amb22745714 [0,2,0,0,0,0|1,0,0]=3 3800 B10R0.98 CC(CCCC(C)N)C(O)=O Amb19337779 [0,2,0,0,0,0|2,0,0]=4 3801 B10R0.98 CC(CCCC(C)N)C(O)=O Amb22059651 [0,2,0,0,0,0|2,0,0]=4 3802 B10R0.98 NC(=N)NCCC(C(=O)O)N Amb16233058 [0,2,0,0,0,0|1,0,1]=4 3803 B10R0.98 NC(=N)NCC[C@@H](N)C(O)=O Amb22745595 [0,2,0,0,0,0|1,0,1]=4 3804 B10R0.98 NC(=N)NCC[C@H](N)C(O)=O Amb20240584 [0,2,0,0,0,0|1,0,1]=4 3805 B10R0.98 NC(=O)CCCC(C(=O)O)N Amb17614984 [0,2,0,0,0,0|1,0,1]=4 3806 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [0,2,0,0,0,0|1,0,1]=4 3807 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [0,2,0,0,0,0|1,0,1]=4 3808 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [0,2,0,0,0,0|1,0,1]=4 3809 B10R0.98 NC(CCCC(O)=O)C(O)=O Amb22740152 [0,2,0,0,0,0|1,0,1]=4 3810 B10R0.98 NC(CSCC(O)=O)C(O)=O Amb23566716 [0,2,0,0,0,0|2,0,0]=4 3811 B10R0.98 NC(N)=NCCC(N)C(O)=O Amb22492813 [0,2,0,0,0,0|1,0,1]=4 3812 B10R0.98 N[C@H](CSCC(O)=O)C(O)=O Amb22745445 [0,2,0,0,0,0|2,0,0]=4 3813 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N Amb16232500 [0,2,0,0,0,0|2,0,0]=4 3814 B8R1.1 CC1CC(CC1)C=O Amb24483120 [1,0,0,1,0,0|2,0,0]=4 3815 B8R1.1 CC1CCC(C=C)N1 Amb24560920 [1,0,0,1,0,0|2,0,0]=4 3816 B8R1.1 CC1CCC(O1)C=O Amb17593184 [1,0,0,1,0,0|2,0,0]=4 3817 B8R1.1 CC1CC[C@@H](CO)N1 Amb25068509 [1,0,0,1,0,0|1,0,1]=4 3818 B8R1.1 CN1CC(CC1)C=O Amb18833062 [1,0,0,1,0,0|2,0,0]=4 3819 B8R1.1 CN1CC(CC1)C=O Amb24331341 [1,0,0,1,0,0|2,0,0]=4 3820 B8R1.1 CN1CCC(C=O)O1 Amb24333644 [1,0,0,1,0,0|2,0,0]=4 3821 B8R1.1 CN1CCC(CO)N1 Amb25197051 [1,0,0,1,0,0|1,0,1]=4 3822 B8R1.1 CSC1CCC(N)C1 Amb19337233 [1,0,0,1,0,0|1,0,1]=4 3823 B8R1.1 C[C@@H]1CC[C@@H](CO)N1 Amb24516993 [1,0,0,1,0,0|1,0,1]=4 3824 B8R1.1 C[C@@H]1CC[C@H](C=C)N1 Amb25178866 [1,0,0,1,0,0|2,0,0]=4 3825 B8R1.1 C[C@@H]1CC[C@H](CO)N1 Amb24679369 [1,0,0,1,0,0|1,0,1]=4 3826 B8R1.1 C[C@H]1CC(CC1)C=O Amb24483030 [1,0,0,1,0,0|2,0,0]=4 3827 B8R1.1 C[C@H]1CC[C@@H](CO)N1 Amb22886262 [1,0,0,1,0,0|1,0,1]=4 3828 B8R1.1 C[C@H]1CC[C@@H](CO)N1 Amb24745399 [1,0,0,1,0,0|1,0,1]=4 3829 B8R1.1 O=CC1CCC(=O)N1 Amb24113125 [1,0,0,1,0,0|2,0,0]=4 3830 B8R1.1 O=C[C@H]1CCC(=O)N1 Amb24482383 [1,0,0,1,0,0|2,0,0]=4 3831 B8R1.2 O=CC1CCCCN1 Amb20242687 [1,0,0,1,0,0|1,0,0]=3 3832 B8R1.2 O=CC1CCCCS1 Amb18642816 [1,0,0,1,0,0|2,0,0]=4 3833 B8R1.2 O=CC1CCNCC1 Amb16232416 [1,0,0,1,0,0|2,0,0]=4 3834 B8R1.2 O=CC1CCNCC1 Amb22231400 [1,0,0,1,0,0|2,0,0]=4 3835 B8R1.2 O=CC1CNCCN1 Amb22228910 [1,0,0,1,0,0|2,0,0]=4 3836 B8R1.2 O=CC1COCCN1 Amb18833023 [1,0,0,1,0,0|2,0,0]=4 3837 B8R1.2 O=C[C@@H]1CCCCO1 Amb25731797 [1,0,0,1,0,0|2,0,0]=4 3838 B8R1.2 O=C[C@@H]1CCOCO1 Amb25839349 [1,0,0,1,0,0|1,1,0]=4 3839 B8R1.2 O=C[C@H]1CCCCO1 Amb25811086 [1,0,0,1,0,0|2,0,0]=4 3840 B8R1.2 OCC1CCCCN1 Amb1803268 [1,0,0,1,0,0|1,0,1]=4 3841 B8R1.2 OC[C@@H]1CCCCN1 Amb13886314 [1,0,0,1,0,0|1,0,1]=4 3842 B8R1.2 OC[C@@H]1CCCCN1 Amb22504549 [1,0,0,1,0,0|1,0,1]=4 3843 B8R1.2 OC[C@H]1CCCCN1 Amb13886286 [1,0,0,1,0,0|1,0,1]=4 3844 B8R1.2 OC[C@H]1CCCCN1 Amb22504550 [1,0,0,1,0,0|1,0,1]=4 3845 B8R1.2 OC[C@H]1CCSCN1 Amb24518949 [1,0,0,1,0,0|0,0,1]=3 3846 B8R1.2 ONC1CCSCC1 Amb25716598 [1,0,0,1,0,0|2,0,0]=4 3847 B8R1.5 Br[C@@H]1CCCCC1=O Amb16234120 [1,0,0,1,0,0|2,0,0]=4 3848 B8R1.5 CC1CCOCC1=O Amb25718285 [1,0,0,1,0,0|1,1,0]=4 3849 B8R1.5 CC1CSCCC1N Amb18202892 [1,0,0,1,0,0|1,0,1]=4 3850 B8R1.5 C[C@@H]1CCCCC1=O Amb25693013 [1,0,0,1,0,0|2,0,0]=4 3851 B8R1.5 ClC1CCCCC1=O Amb1154371 [1,0,0,1,0,0|2,0,0]=4 3852 B8R1.5 FC1CCCCC1=O Amb10605769 [1,0,0,1,0,0|2,0,0]=4 3853 B8R1.5 NC1CCCCC1=O Amb17939051 [1,0,0,1,0,0|1,0,0]=3 3854 B8R1.5 NC1CCCCC1=O Amb22001819 [1,0,0,1,0,0|1,0,0]=3 3855 B8R1.5 NC1CCCCC1O Amb22228578 [1,0,0,1,0,0|1,0,1]=4 3856 B8R1.5 NC1CCNCC1O Amb22388661 [1,0,0,1,0,0|1,0,1]=4 3857 B8R1.5 NC1CCOCC1O Amb18198453 [1,0,0,1,0,0|0,1,1]=4 3858 B8R1.5 NC1CCONC1=O Amb22295935 [1,0,0,1,0,0|1,1,0]=4 3859 B8R1.5 NC1CCSCC1F Amb25178806 [1,0,0,1,0,0|1,0,1]=4 3860 B8R1.5 NC1CCSCC1O Amb18203162 [1,0,0,1,0,0|0,0,1]=3 3861 B8R1.5 NC1COCCC1=O Amb18833021 [1,0,0,1,0,0|2,0,0]=4 3862 B8R1.5 NN1CCCCC1=O Amb13952152 [1,0,0,1,0,0|2,0,0]=4 3863 B8R1.5 NN1CCCCC1=O Amb22275946 [1,0,0,1,0,0|2,0,0]=4 3864 B8R1.5 N[C@@H]1CCCCC1=O Amb25727179 [1,0,0,1,0,0|1,0,0]=3 3865 B8R1.5 N[C@@H]1CCCCC1O Amb24401932 [1,0,0,1,0,0|1,0,1]=4 3866 B8R1.5 N[C@@H]1CCCC[C@@H]1O Amb1993806 [1,0,0,1,0,0|1,0,1]=4 3867 B8R1.5 N[C@@H]1CCCC[C@@H]1O Amb1993917 [1,0,0,1,0,0|1,0,1]=4 3868 B8R1.5 N[C@@H]1CCCC[C@H]1O Amb1993805 [1,0,0,1,0,0|1,0,1]=4 3869 B8R1.5 N[C@@H]1CCCC[C@H]1O Amb1993916 [1,0,0,1,0,0|1,0,1]=4 3870 B8R1.5 N[C@@H]1CCCNC1=O Amb19943908 [1,0,0,1,0,0|2,0,0]=4 3871 B8R1.5 N[C@@H]1CCCNC1=O Amb22388613 [1,0,0,1,0,0|2,0,0]=4 3872 B8R1.5 N[C@@H]1CCOC[C@@H]1O Amb22406155 [1,0,0,1,0,0|0,1,1]=4 3873 B8R1.5 N[C@@H]1CCOC[C@@H]1O Amb23385312 [1,0,0,1,0,0|0,1,1]=4 3874 B8R1.5 N[C@@H]1CCOC[C@H]1O Amb22406158 [1,0,0,1,0,0|0,1,1]=4 3875 B8R1.5 N[C@@H]1CCOC[C@H]1O Amb23385253 [1,0,0,1,0,0|0,1,1]=4 3876 B8R1.5 N[C@H]1CCCC[C@@H]1O Amb19515805 [1,0,0,1,0,0|1,0,1]=4 3877 B8R1.5 N[C@H]1CCCC[C@H]1O Amb19516016 [1,0,0,1,0,0|1,0,1]=4 3878 B8R1.5 N[C@H]1CCCC[C@H]1O Amb20622436 [1,0,0,1,0,0|1,0,1]=4 3879 B8R1.5 N[C@H]1CCSC[C@H]1O Amb24599503 [1,0,0,1,0,0|0,0,1]=3 3880 B8R1.5 O=C1CCCCC1S Amb25839265 [1,0,0,1,0,0|2,0,0]=4 3881 B8R1.5 O=C1CCCC[C@@H]1Br Amb24524273 [1,0,0,1,0,0|2,0,0]=4 3882 B8R1.5 O=C1CCCC[C@@H]1Cl Amb24483264 [1,0,0,1,0,0|2,0,0]=4 3883 B8R1.5 O=C1CCCC[C@@H]1F Amb24379012 [1,0,0,1,0,0|2,0,0]=4 3884 B8R1.5 O=C1COCCC1Br Amb24416092 [1,0,0,1,0,0|1,1,0]=4 3885 B8R1.5 O=C1NCCCC1N Amb1088746 [1,0,0,1,0,0|2,0,0]=4 3886 B8R1.5 O=C1NCCC[C@@H]1N Amb10603272 [1,0,0,1,0,0|2,0,0]=4 3887 B8R1.13 CSCC1CCC1N Amb25144894 [1,0,0,1,0,0|1,0,1]=4 3888 B8R1.17 CCC[C@H]1O[C@@H]1C=O Amb24566218 [1,0,0,1,0,0|2,0,0]=4 3889 B8R1.17 COC[C@H]1C[C@H]1C=O Amb24689551 [1,0,0,1,0,0|1,1,0]=4 3890 B8R1.22 NC1CCCCC=C1 Amb24377373 [1,0,0,1,0,0|2,0,0]=4 3891 B8R1.22 NC1CCCSCC1 Amb18199477 [1,0,0,1,0,0|1,0,1]=4 3892 B8R1.22 N[C@@H]1CCCCC=C1 Amb25173829 [1,0,0,1,0,0|2,0,0]=4 3893 B8R1.22 N[C@H]1CCCCC=C1 Amb24375976 [1,0,0,1,0,0|2,0,0]=4 3894 B8R1.38 C=CC(N)C1CCC1 Amb25324340 [1,0,0,1,0,0|2,0,0]=4 3895 B8R1.38 CC(C=O)C1COC1 Amb25301049 [1,0,0,1,0,0|1,1,0]=4 3896 B8R1.38 NC(CO)C1CCC1 Amb24077492 [1,0,0,1,0,0|1,0,1]=4 3897 B8R1.38 N[C@@H](CO)C1CCC1 Amb24077485 [1,0,0,1,0,0|1,0,1]=4 3898 B8R1.38 N[C@@H](CO)C1COC1 Amb25689732 [1,0,0,1,0,0|0,1,1]=4 3899 B8R1.38 N[C@H](CO)C1CCC1 Amb24077520 [1,0,0,1,0,0|1,0,1]=4 3900 B8R1.38 N[C@H](CO)C1COC1 Amb25114651 [1,0,0,1,0,0|0,1,1]=4 3901 B8R1.38 O=CC(F)C1CCC1 Amb22011677 [1,0,0,1,0,0|2,0,0]=4 3902 B8R1.38 OC(C=O)C1CCC1 Amb24409082 [1,0,0,1,0,0|2,0,0]=4 3903 B8R1.40 C=CC(Cl)CC1CS1 Amb25240662 [1,0,0,1,0,0|2,0,0]=4 3904 B8R1.40 CC(CC1CC1)C=O Amb25100922 [1,0,0,1,0,0|2,0,0]=4 3905 B8R1.40 NC(CC1CC1)CO Amb18203350 [1,0,0,1,0,0|1,0,1]=4 3906 B8R1.44 CCC1CC1(N)CO Amb25662784 [1,0,0,1,0,0|1,0,1]=4 3907 B8R1.50 CN1CCC(Br)C1=O Amb19514590 [1,0,0,1,0,0|2,0,0]=4 3908 B8R1.50 CN1CCC(N)C1=O Amb22491599 [1,0,0,1,0,0|1,0,0]=3 3909 B8R1.50 CN1CCC(O)C1=O Amb20622738 [1,0,0,1,0,0|2,0,0]=4 3910 B8R1.50 CN1CCC(S)C1=O Amb24333654 [1,0,0,1,0,0|2,0,0]=4 3911 B8R1.50 CN1CCN(N)C1=O Amb24643625 [1,0,0,1,0,0|2,0,0]=4 3912 B8R1.50 CN1CC[C@@H](N)C1=O Amb25303747 [1,0,0,1,0,0|1,0,0]=3 3913 B8R1.50 CN1CC[C@H](O)C1=O Amb24400512 [1,0,0,1,0,0|2,0,0]=4 3914 B8R1.50 CN1OC[C@@H](N)C1=O Amb25703607 [1,0,0,1,0,0|2,0,0]=4 3915 B8R1.50 CN1SCC(N)C1=O Amb25230901 [1,0,0,1,0,0|2,0,0]=4 3916 B8R1.50 C[C@@H]1CC[C@@H](C)C1=O Amb25293431 [1,0,0,1,0,0|2,0,0]=4 3917 B8R1.50 N[C@@H]1CCN(O)C1=O Amb22362895 [1,0,0,1,0,0|2,0,0]=4 3918 B8R1.50 N[C@H]1CCN(O)C1=O Amb25345964 [1,0,0,1,0,0|2,0,0]=4 3919 B8R1.50 O=C1C(C)CCN1C Amb10068267 [1,0,0,1,0,0|2,0,0]=4 3920 B8R1.50 O=C1C(N)CCN1C Amb10607857 [1,0,0,1,0,0|1,0,0]=3 3921 B8R1.52 CC1(CCCC1)C=O Amb18641706 [1,0,0,1,0,0|2,0,0]=4 3922 B8R1.52 CC1(COCC1)C=O Amb18641777 [1,0,0,1,0,0|1,1,0]=4 3923 B8R1.52 N#CC1(N)CSCC1 Amb1111569 [1,0,0,1,0,0|1,0,1]=4 3924 B8R1.52 NC1(CF)CSCC1 Amb24527416 [1,0,0,1,0,0|1,0,1]=4 3925 B8R1.52 NC1(CO)CCCC1 Amb20248305 [1,0,0,1,0,0|1,0,1]=4 3926 B8R1.52 NC1(CO)CNCC1 Amb23515101 [1,0,0,1,0,0|1,0,1]=4 3927 B8R1.52 NC1(CO)COCC1 Amb23440194 [1,0,0,1,0,0|0,1,1]=4 3928 B8R1.52 NC1(CO)CSCC1 Amb18944443 [1,0,0,1,0,0|0,0,1]=3 3929 B8R1.52 O=CC1(Br)CCCC1 Amb25758600 [1,0,0,1,0,0|2,0,0]=4 3930 B8R1.52 OC1(CCCC1)C=O Amb18124253 [1,0,0,1,0,0|2,0,0]=4 3931 B8R1.52 OCC1(N)CCCC1 Amb2236186 [1,0,0,1,0,0|1,0,1]=4 3932 B8R1.52 OCC1(O)CSCC1 Amb24116839 [1,0,0,1,0,0|1,0,1]=4 3933 B8R1.58 CC1CCC1(N)CO Amb24419205 [1,0,0,1,0,0|1,0,1]=4 3934 B8R1.4 CC1=CC(=O)CCC1 Amb17776565 [1,0,0,1,0,0|2,0,0]=4 3935 B8R1.4 CC1=CCCC(=O)O1 Amb21520320 [1,0,0,1,0,0|1,0,1]=4 3936 B8R1.4 CC1CCCC(=O)C1 Amb1151295 [1,0,0,1,0,0|2,0,0]=4 3937 B8R1.4 CC1CCCC(=O)N1 Amb22372271 [1,0,0,1,0,0|2,0,0]=4 3938 B8R1.4 CC1CCCC(=O)O1 Amb19405726 [1,0,0,1,0,0|1,0,0]=3 3939 B8R1.4 CN1CC(=O)CCC1 Amb22304741 [1,0,0,1,0,0|2,0,0]=4 3940 B8R1.4 CN1CC(=O)CCC1 Amb22490632 [1,0,0,1,0,0|2,0,0]=4 3941 B8R1.4 CN1CCCC(=O)C1 Amb10602467 [1,0,0,1,0,0|2,0,0]=4 3942 B8R1.4 CS=1CCCC(=O)C1 Amb25318868 [1,0,0,1,0,0|1,0,1]=4 3943 B8R1.4 C[C@@H]1CC(=O)CCC1 Amb22799724 [1,0,0,1,0,0|2,0,0]=4 3944 B8R1.4 C[C@@H]1CCCC(=O)N1 Amb25772093 [1,0,0,1,0,0|2,0,0]=4 3945 B8R1.4 C[C@H]1CC(=O)CCC1 Amb21618704 [1,0,0,1,0,0|2,0,0]=4 3946 B8R1.4 C[C@H]1CCCC(=O)N1 Amb25327957 [1,0,0,1,0,0|2,0,0]=4 3947 B8R1.4 O=[13C]1CCC[13C](=O)O1 Amb17614796 [1,0,0,1,0,0|2,0,0]=4 3948 B8R1.6 CCC[C@@H]1CC(=O)N1 Amb25842837 [1,0,0,1,0,0|2,0,0]=4 3949 B8R1.6 COCC1CC(=O)C1 Amb25771052 [1,0,0,1,0,0|1,1,0]=4 3950 B8R1.7 CC(=O)C1CCSS1 Amb24584425 [1,0,0,1,0,0|2,0,0]=4 3951 B8R1.7 CC(=O)C1CNCC1 Amb18833067 [1,0,0,1,0,0|2,0,0]=4 3952 B8R1.7 CC(=O)C1CNCC1 Amb22899078 [1,0,0,1,0,0|2,0,0]=4 3953 B8R1.7 CC(=O)C1COCC1 Amb18833038 [1,0,0,1,0,0|1,1,0]=4 3954 B8R1.7 CC(=O)N1CSCC1 Amb24354533 [1,0,0,1,0,0|2,0,0]=4 3955 B8R1.7 CC(O)C1CCSC1 Amb24411877 [1,0,0,1,0,0|1,0,1]=4 3956 B8R1.7 ClC(=O)C1CSCN1 Amb17142875 [1,0,0,1,0,0|2,0,0]=4 3957 B8R1.7 NC(=O)C1CCSS1 Amb24060539 [1,0,0,1,0,0|2,0,0]=4 3958 B8R1.7 NC(=O)C1CNCC1 Amb19373271 [1,0,0,1,0,0|2,0,0]=4 3959 B8R1.7 NC(=O)[C@@H]1CNCC1 Amb20671395 [1,0,0,1,0,0|2,0,0]=4 3960 B8R1.7 NC(=O)[C@@H]1CNCC1 Amb22405893 [1,0,0,1,0,0|2,0,0]=4 3961 B8R1.7 NC(=O)[C@@H]1CSCN1 Amb25111427 [1,0,0,1,0,0|2,0,0]=4 3962 B8R1.7 NC(=O)[C@H]1CNCC1 Amb20671394 [1,0,0,1,0,0|2,0,0]=4 3963 B8R1.7 NC(=O)[C@H]1CNCC1 Amb22405894 [1,0,0,1,0,0|2,0,0]=4 3964 B8R1.7 OC(=O)C1CCC=C1 Amb18641680 [1,0,0,1,0,0|1,0,1]=4 3965 B8R1.7 OC(=O)C1CCCN1 Amb22040086 [1,0,0,1,0,0|2,0,0]=4 3966 B8R1.7 OC(=O)C1CCCN1 Amb2542766 [1,0,0,1,0,0|2,0,0]=4 3967 B8R1.7 OC(=O)C1CCCS1 Amb18124363 [1,0,0,1,0,0|2,0,0]=4 3968 B8R1.7 OC(=O)C1CCNN1 Amb18641878 [1,0,0,1,0,0|2,0,0]=4 3969 B8R1.7 OC(=O)C1CCON1 Amb24351403 [1,0,0,1,0,0|1,1,0]=4 3970 B8R1.7 OC(=O)C1CNCC1 Amb16230724 [1,0,0,1,0,0|1,0,0]=3 3971 B8R1.7 OC(=O)C1CNCC1 Amb16233446 [1,0,0,1,0,0|1,0,0]=3 3972 B8R1.7 OC(=O)C1CNCO1 Amb24359881 [1,0,0,1,0,0|2,0,0]=4 3973 B8R1.7 OC(=O)C1CNOC1 Amb24560626 [1,0,0,1,0,0|1,1,0]=4 3974 B8R1.7 OC(=O)C1CSC=C1 Amb18642796 [1,0,0,1,0,0|0,0,2]=4 3975 B8R1.7 OC(=O)C1CSCC1 Amb18124360 [1,0,0,1,0,0|0,0,0]=2 3976 B8R1.7 OC(=O)C1CSCN1 Amb2549799 [1,0,0,1,0,0|1,0,0]=3 3977 B8R1.7 OC(=O)C1CSSC1 Amb17593735 [1,0,0,1,0,0|1,0,0]=3 3978 B8R1.7 OC(=O)C1C[13CH2]CN1 Amb22367338 [1,0,0,1,0,0|2,0,0]=4 3979 B8R1.7 OC(=O)C=1CSCC1 Amb18642797 [1,0,0,1,0,0|0,0,2]=4 3980 B8R1.7 OC(=O)[C@@H]1CCC=N1 Amb25075457 [1,0,0,1,0,0|2,0,0]=4 3981 B8R1.7 OC(=O)[C@@H]1COCC1 Amb22226787 [1,0,0,1,0,0|0,1,0]=3 3982 B8R1.7 OC(=O)[C@@H]1COCN1 Amb19515958 [1,0,0,1,0,0|1,1,0]=4 3983 B8R1.7 OC(=O)[C@H]1CCC=C1 Amb25304679 [1,0,0,1,0,0|1,0,1]=4 3984 B8R1.7 OC(=O)[C@H]1CCCS1 Amb24481353 [1,0,0,1,0,0|2,0,0]=4 3985 B8R1.7 OC(=O)[C@H]1CCSS1 Amb24738509 [1,0,0,1,0,0|1,0,0]=3 3986 B8R1.7 OC(=O)[C@H]1COCC1 Amb10603235 [1,0,0,1,0,0|0,1,0]=3 3987 B8R1.7 OC(=O)[C@H]1COCN1 Amb25733088 [1,0,0,1,0,0|1,1,0]=4 3988 B8R1.7 OS(=O)C1COCC1 Amb25713371 [1,0,0,1,0,0|1,1,0]=4 3989 B8R1.7 O[13C](=O)C1CCCN1 Amb22367492 [1,0,0,1,0,0|2,0,0]=4 3990 B8R1.7 O[13C](=O)[13C@@H]1[13CH2][13CH2][13CH2][15NH]1 Amb19133705 [1,0,0,1,0,0|2,0,0]=4 3991 B8R1.7 O[13C](=O)[C@@H]1CCCN1 Amb22336891 [1,0,0,1,0,0|2,0,0]=4 3992 B8R1.7 [O-]C(=O)C1CSCN1 Amb10072986 [1,0,0,1,0,0|1,0,1]=4 3993 B8R1.20 C=C1C[C@@H]1CC(O)=O Amb25331268 [1,0,0,1,0,0|1,0,1]=4 3994 B8R1.20 C=C1C[C@H]1CC(O)=O Amb24686141 [1,0,0,1,0,0|1,0,1]=4 3995 B8R1.20 CC1CC1CC(N)=O Amb25772500 [1,0,0,1,0,0|2,0,0]=4 3996 B8R1.20 CC1CC1CC(O)=O Amb25316515 [1,0,0,1,0,0|1,0,0]=3 3997 B8R1.20 CC1OC1CC(O)=O Amb24710388 [1,0,0,1,0,0|2,0,0]=4 3998 B8R1.20 C[C@@H]1C[C@H]1CC(C)=O Amb24373459 [1,0,0,1,0,0|2,0,0]=4 3999 B8R1.20 C[C@H]1C[C@H]1CC(C)=O Amb25257655 [1,0,0,1,0,0|2,0,0]=4 4000 B8R1.20 C[C@H]1C[C@H]1CC(O)=O Amb25174744 [1,0,0,1,0,0|1,0,0]=3 4001 B8R1.20 C[C@H]1O[C@H]1CC(O)=O Amb25747306 [1,0,0,1,0,0|2,0,0]=4 4002 B8R1.20 N[C@H]1C[C@H]1CC(O)=O Amb24585123 [1,0,0,1,0,0|2,0,0]=4 4003 B8R1.31 CC(=O)C1CCN1C Amb25196048 [1,0,0,1,0,0|2,0,0]=4 4004 B8R1.31 CC1CCC1C(=O)Cl Amb25123268 [1,0,0,1,0,0|2,0,0]=4 4005 B8R1.31 CC1CCC1C(C)=O Amb25101506 [1,0,0,1,0,0|2,0,0]=4 4006 B8R1.31 CC1CCC1C(N)=O Amb24481452 [1,0,0,1,0,0|2,0,0]=4 4007 B8R1.31 CC1CCC1C(O)=O Amb21857447 [1,0,0,1,0,0|1,0,0]=3 4008 B8R1.31 CN1CCC1C(N)=O Amb22227962 [1,0,0,1,0,0|2,0,0]=4 4009 B8R1.31 CN1CCC1C(O)=O Amb22011586 [1,0,0,1,0,0|1,0,0]=3 4010 B8R1.31 CN1CC[C@@H]1C(O)=O Amb24183372 [1,0,0,1,0,0|1,0,0]=3 4011 B8R1.31 CN1CC[C@H]1C(O)=O Amb24699921 [1,0,0,1,0,0|1,0,0]=3 4012 B8R1.31 C[C@@H]1CC[C@H]1C(O)=O Amb25174793 [1,0,0,1,0,0|1,0,0]=3 4013 B8R1.31 C[C@@H]1CN[C@@H]1C(O)=O Amb24597629 [1,0,0,1,0,0|2,0,0]=4 4014 B8R1.31 C[C@H]1CC[C@@H]1C(O)=O Amb24561899 [1,0,0,1,0,0|1,0,0]=3 4015 B8R1.31 C[C@H]1CC[C@H]1C(O)=O Amb25259513 [1,0,0,1,0,0|1,0,0]=3 4016 B8R1.31 C[C@H]1CN[C@@H]1C(O)=O Amb24629618 [1,0,0,1,0,0|2,0,0]=4 4017 B8R1.31 NN1CCC1C(O)=O Amb25189887 [1,0,0,1,0,0|2,0,0]=4 4018 B8R1.31 N[C@@H]1CC[C@@H]1C(O)=O Amb24117048 [1,0,0,1,0,0|2,0,0]=4 4019 B8R1.31 N[C@@H]1CC[C@@H]1C(O)=O Amb24183584 [1,0,0,1,0,0|2,0,0]=4 4020 B8R1.31 OC(=O)C1CCC1S Amb25830696 [1,0,0,1,0,0|2,0,0]=4 4021 B8R1.31 OC(=O)[C@@H]1CC[C@@H]1Cl Amb24514834 [1,0,0,1,0,0|2,0,0]=4 4022 B8R1.31 OC(=O)[C@@H]1CC[C@H]1Cl Amb24580965 [1,0,0,1,0,0|2,0,0]=4 4023 B8R1.31 OC1CCC1C(O)=O Amb24481384 [1,0,0,1,0,0|2,0,0]=4 4024 B8R1.34 CC(=O)CC1CCC1 Amb20668826 [1,0,0,1,0,0|2,0,0]=4 4025 B8R1.34 CC(=O)CC1COC1 Amb22728373 [1,0,0,1,0,0|1,1,0]=4 4026 B8R1.34 CC(O)CC1CSC1 Amb25746467 [1,0,0,1,0,0|1,0,1]=4 4027 B8R1.34 NC(=O)CC1COC1 Amb25080580 [1,0,0,1,0,0|1,1,0]=4 4028 B8R1.34 NC(=O)OC1CSC1 Amb22364584 [1,0,0,1,0,0|2,0,0]=4 4029 B8R1.34 O=C(Cl)CC1CCC1 Amb22491179 [1,0,0,1,0,0|2,0,0]=4 4030 B8R1.34 OC(=O)C=C1CSC1 Amb24379733 [1,0,0,1,0,0|0,0,2]=4 4031 B8R1.34 OC(=O)CC1CCN1 Amb25068427 [1,0,0,1,0,0|2,0,0]=4 4032 B8R1.34 OC(=O)CC1CNC1 Amb21856240 [1,0,0,1,0,0|1,0,0]=3 4033 B8R1.34 OC(=O)CC1CNC1 Amb22057370 [1,0,0,1,0,0|1,0,0]=3 4034 B8R1.34 OC(=O)CC1CNC1 Amb22739043 [1,0,0,1,0,0|1,0,0]=3 4035 B8R1.34 OC(=O)CC1COC1 Amb18199145 [1,0,0,1,0,0|0,1,0]=3 4036 B8R1.34 OC(=O)CN1CCC1 Amb22059611 [1,0,0,1,0,0|2,0,0]=4 4037 B8R1.35 CC(=O)CCC1CC1 Amb25305448 [1,0,0,1,0,0|2,0,0]=4 4038 B8R1.35 O=C(Cl)CCC1CC1 Amb25337452 [1,0,0,1,0,0|2,0,0]=4 4039 B8R1.36 CSCCCC1CO1 Amb24687956 [1,0,0,1,0,0|1,0,1]=4 4040 B8R1.43 C#C[C@@H]1C[C@H]1C(O)=O Amb25294666 [1,0,0,1,0,0|1,0,1]=4 4041 B8R1.43 C#C[C@H]1C[C@@H]1C(O)=O Amb24076488 [1,0,0,1,0,0|1,0,1]=4 4042 B8R1.43 C=C[C@H]1C[C@@H]1C(O)=O Amb24562586 [1,0,0,1,0,0|1,0,1]=4 4043 B8R1.43 C=C[C@H]1C[C@H]1C(O)=O Amb25173924 [1,0,0,1,0,0|1,0,1]=4 4044 B8R1.43 CCC1CC1C(N)=O Amb24482378 [1,0,0,1,0,0|2,0,0]=4 4045 B8R1.43 CCC1CC1C(O)=O Amb18961272 [1,0,0,1,0,0|1,0,0]=3 4046 B8R1.43 CCC1OC1C(O)=O Amb24640795 [1,0,0,1,0,0|2,0,0]=4 4047 B8R1.43 CC[C@@H]1C[C@@H]1C(C)=O Amb25779618 [1,0,0,1,0,0|2,0,0]=4 4048 B8R1.43 CC[C@@H]1C[C@H]1C(=O)Cl Amb24606720 [1,0,0,1,0,0|2,0,0]=4 4049 B8R1.43 CC[C@@H]1C[C@H]1C(C)=O Amb25809901 [1,0,0,1,0,0|2,0,0]=4 4050 B8R1.43 CC[C@@H]1C[C@H]1C(N)=O Amb24532446 [1,0,0,1,0,0|2,0,0]=4 4051 B8R1.43 CC[C@@H]1C[C@H]1C(O)=O Amb24112910 [1,0,0,1,0,0|1,0,0]=3 4052 B8R1.43 CC[C@@H]1O[C@H]1C(O)=O Amb24587605 [1,0,0,1,0,0|2,0,0]=4 4053 B8R1.43 CC[C@H]1C[C@H]1C(C)=O Amb24635581 [1,0,0,1,0,0|2,0,0]=4 4054 B8R1.43 COC1CC1C(C)=O Amb25252874 [1,0,0,1,0,0|1,1,0]=4 4055 B8R1.43 COC1CC1C(O)=O Amb25081919 [1,0,0,1,0,0|0,1,0]=3 4056 B8R1.43 CO[C@@H]1C[C@H]1C(O)=O Amb24514838 [1,0,0,1,0,0|0,1,0]=3 4057 B8R1.43 C\C=C/1\CC1C(O)=O Amb24386730 [1,0,0,1,0,0|1,0,1]=4 4058 B8R1.43 C\C=C/1\C[C@H]1C(O)=O Amb25359125 [1,0,0,1,0,0|1,0,1]=4 4059 B8R1.43 N#CC1CC1C(O)=O Amb24183452 [1,0,0,1,0,0|2,0,0]=4 4060 B8R1.43 N#C[C@@H]1C[C@@H]1C(O)=O Amb24183522 [1,0,0,1,0,0|2,0,0]=4 4061 B8R1.43 N#C[C@@H]1C[C@H]1C(O)=O Amb24183456 [1,0,0,1,0,0|2,0,0]=4 4062 B8R1.43 N#C[C@H]1C[C@H]1C(O)=O Amb25168974 [1,0,0,1,0,0|2,0,0]=4 4063 B8R1.43 NC[C@@H]1C[C@@H]1C(O)=O Amb24680970 [1,0,0,1,0,0|2,0,0]=4 4064 B8R1.43 NNC1CC1C(=O)O Amb10576221 [1,0,0,1,0,0|2,0,0]=4 4065 B8R1.43 OC(=O)[C@@H]1C[C@H]1C=O Amb25174216 [1,0,0,1,0,0|2,0,0]=4 4066 B8R1.43 OC(=O)[C@@H]1C[C@H]1CCl Amb24698643 [1,0,0,1,0,0|2,0,0]=4 4067 B8R1.43 OC(=O)[C@H]1C[C@@H]1C=O Amb25188101 [1,0,0,1,0,0|2,0,0]=4 4068 B8R1.43 OC(=O)[C@H]1C[C@@H]1CBr Amb24515045 [1,0,0,1,0,0|2,0,0]=4 4069 B8R1.43 OCC1CC1C(O)=O Amb25173469 [1,0,0,1,0,0|2,0,0]=4 4070 B8R1.43 OC[C@@H]1C[C@H]1C(O)=O Amb25231147 [1,0,0,1,0,0|2,0,0]=4 4071 B8R1.43 OC[C@H]1C[C@@H]1C(O)=O Amb25319844 [1,0,0,1,0,0|2,0,0]=4 4072 B8R1.18 CC1CC(=O)C(=O)O1 Amb24524552 [1,0,0,1,0,0|1,0,1]=4 4073 B8R1.18 CC1CC(C)NC1=O Amb24698782 [1,0,0,1,0,0|2,0,0]=4 4074 B8R1.18 CC1CC(O)C(=O)C1 Amb25143497 [1,0,0,1,0,0|2,0,0]=4 4075 B8R1.18 CC1CC(O)C(N)C1 Amb24677532 [1,0,0,1,0,0|1,0,1]=4 4076 B8R1.18 CC1CC(O)OC1=O Amb25283481 [1,0,0,1,0,0|1,1,0]=4 4077 B8R1.18 CC1C[C@@H](N)C(=O)O1 Amb24622840 [1,0,0,1,0,0|0,0,0]=2 4078 B8R1.18 CC1OC(C)CC1N Amb24619349 [1,0,0,1,0,0|1,0,1]=4 4079 B8R1.18 C[C@@H]1C[C@@H](Cl)C(=O)O1 Amb25288126 [1,0,0,1,0,0|1,0,0]=3 4080 B8R1.18 C[C@@H]1C[C@@H](O)C(=C)O1 Amb25284313 [1,0,0,1,0,0|2,0,0]=4 4081 B8R1.18 C[C@@H]1C[C@@H](O)C(=O)O1 Amb24615353 [1,0,0,1,0,0|1,0,0]=3 4082 B8R1.18 C[C@@H]1C[C@H](Cl)C(=O)O1 Amb24596085 [1,0,0,1,0,0|1,0,0]=3 4083 B8R1.18 C[C@@H]1C[C@H](N)C(=O)O1 Amb24760900 [1,0,0,1,0,0|0,0,0]=2 4084 B8R1.18 C[C@@H]1C[C@H](O)C(=O)O1 Amb24519690 [1,0,0,1,0,0|1,0,0]=3 4085 B8R1.18 C[C@H]1C[C@@H](C)C(=O)C1 Amb24643266 [1,0,0,1,0,0|2,0,0]=4 4086 B8R1.18 C[C@H]1C[C@H](Br)C(=O)O1 Amb25322131 [1,0,0,1,0,0|1,0,0]=3 4087 B8R1.18 C[C@H]1C[C@H](C)NC1=O Amb25174475 [1,0,0,1,0,0|2,0,0]=4 4088 B8R1.18 C[C@H]1C[C@H](N)C(=O)O1 Amb24538781 [1,0,0,1,0,0|0,0,0]=2 4089 B8R1.18 NC1CC(=O)OC1=O Amb19929452 [1,0,0,1,0,0|0,1,1]=4 4090 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [1,0,0,1,0,0|0,1,1]=4 4091 B8R1.23 CC1CC(C1)C(=O)Cl Amb24361916 [1,0,0,1,0,0|2,0,0]=4 4092 B8R1.23 CC1CC(C1)C(C)=O Amb23590280 [1,0,0,1,0,0|2,0,0]=4 4093 B8R1.23 CC1CC(C1)C(O)=O Amb19515989 [1,0,0,1,0,0|1,0,0]=3 4094 B8R1.23 CN1CC(C1)C(O)=O Amb19958116 [1,0,0,1,0,0|2,0,0]=4 4095 B8R1.23 C[C@@H]1C[C@@H](C1)C(O)=O Amb22746374 [1,0,0,1,0,0|1,0,0]=3 4096 B8R1.23 C[C@@H]1C[C@H](C1)C(O)=O Amb22746375 [1,0,0,1,0,0|1,0,0]=3 4097 B8R1.23 C[C@H]1C[C@H](N1)C(O)=O Amb24514390 [1,0,0,1,0,0|0,0,0]=2 4098 B8R1.23 ClC1CC(C1)C(=O)O Amb16233600 [1,0,0,1,0,0|2,0,0]=4 4099 B8R1.23 NC1CC(C1)C(=O)O Amb10610660 [1,0,0,1,0,0|2,0,0]=4 4100 B8R1.23 NC1CC(C1)C(O)=O Amb21963541 [1,0,0,1,0,0|2,0,0]=4 4101 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O Amb10604131 [1,0,0,1,0,0|2,0,0]=4 4102 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O Amb10604102 [1,0,0,1,0,0|2,0,0]=4 4103 B8R1.23 N[C@@H]1C[C@H](C1)C(O)=O Amb19514893 [1,0,0,1,0,0|2,0,0]=4 4104 B8R1.23 O=C1CC(N1)C(=O)O Amb16232079 [1,0,0,1,0,0|0,1,1]=4 4105 B8R1.23 OC(=O)C1CC(F)C1 Amb20621267 [1,0,0,1,0,0|2,0,0]=4 4106 B8R1.23 OC(=O)[C@@H]1CC(=O)N1 Amb22367070 [1,0,0,1,0,0|0,1,1]=4 4107 B8R1.23 OC(=O)[C@@H]1C[C@@H](Br)C1 Amb24339433 [1,0,0,1,0,0|2,0,0]=4 4108 B8R1.23 O[C@@H]1C[C@H](C1)C(O)=O Amb19516178 [1,0,0,1,0,0|1,1,0]=4 4109 B8R1.23 O[C@H]1C[C@H](C1)C(O)=O Amb19516179 [1,0,0,1,0,0|1,1,0]=4 4110 B8R1.30 C=C1CC1(N)C(O)=O Amb22274582 [1,0,0,1,0,0|0,0,2]=4 4111 B8R1.30 CC1(CC1F)C(O)=O Amb24445672 [1,0,0,1,0,0|2,0,0]=4 4112 B8R1.30 CC1(OC1C)C(=O)O Amb17593199 [1,0,0,1,0,0|2,0,0]=4 4113 B8R1.30 CC1CC1(C)C(C)=O Amb24570372 [1,0,0,1,0,0|2,0,0]=4 4114 B8R1.30 CC1CC1(Cl)C(O)=O Amb25376529 [1,0,0,1,0,0|1,0,0]=3 4115 B8R1.30 CC1CC1(O)C(O)=O Amb24481340 [1,0,0,1,0,0|1,0,0]=3 4116 B8R1.30 CC1OC1(Cl)C(O)=O Amb24604328 [1,0,0,1,0,0|2,0,0]=4 4117 B8R1.30 C[C@@H]1C[C@@]1(C)C(O)=O Amb24680945 [1,0,0,1,0,0|1,0,0]=3 4118 B8R1.30 C[C@@H]1C[C@@]1(N)C(O)=O Amb23452877 [1,0,0,1,0,0|0,0,0]=2 4119 B8R1.30 C[C@@H]1C[C@]1(N)C(O)=O Amb23452872 [1,0,0,1,0,0|0,0,0]=2 4120 B8R1.30 C[C@@H]1C[C@]1(O)C(O)=O Amb24630291 [1,0,0,1,0,0|1,0,0]=3 4121 B8R1.30 C[C@@H]1O[C@@]1(C)C(O)=O Amb25174091 [1,0,0,1,0,0|2,0,0]=4 4122 B8R1.30 C[C@@]1(C[C@H]1Cl)C(O)=O Amb25025974 [1,0,0,1,0,0|2,0,0]=4 4123 B8R1.30 C[C@H]1CC1(N)C(O)=O Amb25064269 [1,0,0,1,0,0|0,0,0]=2 4124 B8R1.30 C[C@H]1C[C@@]1(O)C(O)=O Amb25174792 [1,0,0,1,0,0|1,0,0]=3 4125 B8R1.30 C[C@H]1C[C@]1(C)C(C)=O Amb24550104 [1,0,0,1,0,0|2,0,0]=4 4126 B8R1.30 C[C@]1(C[C@@H]1F)C(O)=O Amb24053139 [1,0,0,1,0,0|2,0,0]=4 4127 B8R1.30 N[C@@]1(C[C@H]1Cl)C(O)=O Amb22748908 [1,0,0,1,0,0|1,0,0]=3 4128 B8R1.30 N[C@]1(C[C@@H]1Cl)C(O)=O Amb25245700 [1,0,0,1,0,0|1,0,0]=3 4129 B8R1.30 N[C@]1(C[C@H]1Br)C(O)=O Amb24567904 [1,0,0,1,0,0|1,0,0]=3 4130 B8R1.54 C=C(C1CC1)C(O)=O Amb24481397 [1,0,0,1,0,0|1,0,1]=4 4131 B8R1.54 CC(C(=O)O)C1CC1 Amb17087493 [1,0,0,1,0,0|1,0,0]=3 4132 B8R1.54 CC(C1CC1)C(=O)Cl Amb25244618 [1,0,0,1,0,0|2,0,0]=4 4133 B8R1.54 CC(C1CC1)C(C)=O Amb25798488 [1,0,0,1,0,0|2,0,0]=4 4134 B8R1.54 CC(C1CC1)C(N)=O Amb23443624 [1,0,0,1,0,0|2,0,0]=4 4135 B8R1.54 C[C@@H](O)[C@H](N)C1CC1 Amb24604396 [1,0,0,1,0,0|1,0,1]=4 4136 B8R1.54 NC(=O)C(O)C1CC1 Amb20630809 [1,0,0,1,0,0|2,0,0]=4 4137 B8R1.54 NC(C1CC1)C(=O)Cl Amb25733572 [1,0,0,1,0,0|1,0,0]=3 4138 B8R1.54 NC(C1CC1)C(N)=O Amb18282442 [1,0,0,1,0,0|1,0,0]=3 4139 B8R1.54 NC(C1CC1)C(O)=O Amb19515010 [1,0,0,1,0,0|0,0,0]=2 4140 B8R1.54 N[C@@H](C1CC1)C(O)=O Amb19929447 [1,0,0,1,0,0|0,0,0]=2 4141 B8R1.54 O=C(C(=O)O)C1CC1 Amb16233327 [1,0,0,1,0,0|1,0,1]=4 4142 B8R1.54 OC(=O)C(Br)C1CC1 Amb24634830 [1,0,0,1,0,0|1,0,0]=3 4143 B8R1.54 OC(=O)C(Cl)C1CC1 Amb24333436 [1,0,0,1,0,0|1,0,0]=3 4144 B8R1.54 OC(C1CC1)C(O)=O Amb18282441 [1,0,0,1,0,0|1,0,0]=3 4145 B8R1.54 O[C@@H](C1CC1)C(O)=O Amb25312037 [1,0,0,1,0,0|1,0,0]=3 4146 B8R1.54 O[C@H](C1CC1)C(O)=O Amb25715899 [1,0,0,1,0,0|1,0,0]=3 4147 B8R1.78 CC1(CCC1)C(=O)Cl Amb24533834 [1,0,0,1,0,0|2,0,0]=4 4148 B8R1.78 CC1(CCN1)C(O)=O Amb24483061 [1,0,0,1,0,0|2,0,0]=4 4149 B8R1.78 CC1(CCO1)C(O)=O Amb22001906 [1,0,0,1,0,0|1,1,0]=4 4150 B8R1.78 CC1(CNC1)C(O)=O Amb24077476 [1,0,0,1,0,0|2,0,0]=4 4151 B8R1.78 CC1(CNC1)C(O)=O Amb24561978 [1,0,0,1,0,0|2,0,0]=4 4152 B8R1.78 CC1(CSC1)C(O)=O Amb21960451 [1,0,0,1,0,0|1,0,0]=3 4153 B8R1.78 C[C@]1(CCN1)C(O)=O Amb25726906 [1,0,0,1,0,0|2,0,0]=4 4154 B8R1.78 NC(=O)C1(Br)CCC1 Amb24481413 [1,0,0,1,0,0|2,0,0]=4 4155 B8R1.78 NC(=O)C1(N)CCC1 Amb18523727 [1,0,0,1,0,0|1,0,0]=3 4156 B8R1.78 NC(=O)C1(N)CCC1 Amb22137941 [1,0,0,1,0,0|1,0,0]=3 4157 B8R1.78 NC(=O)C1(N)COC1 Amb24483241 [1,0,0,1,0,0|1,1,0]=4 4158 B8R1.78 NC(=O)C1(O)CCC1 Amb24122570 [1,0,0,1,0,0|2,0,0]=4 4159 B8R1.78 NC1(CCC1)C(=O)Cl Amb24567984 [1,0,0,1,0,0|1,0,0]=3 4160 B8R1.78 NC1(CNC1)C(O)=O Amb19895006 [1,0,0,1,0,0|1,0,0]=3 4161 B8R1.78 NC1(CNC1)C(O)=O Amb21960937 [1,0,0,1,0,0|1,0,0]=3 4162 B8R1.78 NC1(COC1)C(O)=O Amb18199133 [1,0,0,1,0,0|0,1,0]=3 4163 B8R1.78 NC1(CSC1)C(O)=O Amb21927718 [1,0,0,1,0,0|0,0,0]=2 4164 B8R1.78 OC(=O)C1(C)CCC1 Amb10843968 [1,0,0,1,0,0|1,0,0]=3 4165 B8R1.78 OC(=O)C1(C)COC1 Amb13883560 [1,0,0,1,0,0|1,1,0]=4 4166 B8R1.78 OC(=O)C1(Cl)CCC1 Amb24422884 [1,0,0,1,0,0|1,0,0]=3 4167 B8R1.78 OC(=O)C1(F)CCC1 Amb22886536 [1,0,0,1,0,0|1,0,0]=3 4168 B8R1.78 OC(=O)C1(F)CNC1 Amb23440120 [1,0,0,1,0,0|2,0,0]=4 4169 B8R1.78 OC(=O)C1(F)COC1 Amb24541298 [1,0,0,1,0,0|1,1,0]=4 4170 B8R1.78 OC(=O)C1(O)CNC1 Amb24122891 [1,0,0,1,0,0|2,0,0]=4 4171 B8R1.78 OC(=O)C1(O)COC1 Amb25714262 [1,0,0,1,0,0|1,1,0]=4 4172 B8R1.78 OC(=O)C1(O)CSC1 Amb25259612 [1,0,0,1,0,0|1,0,0]=3 4173 B10R1.8 CCC1CC(N)CC(=O)N1 Amb24479712 [0,0,0,1,0,1|2,0,0]=4 4174 B10R1.8 CCC1CC(O)CC(=O)O1 Amb25739723 [0,0,0,1,0,1|2,0,0]=4 4175 B10R1.16 CCCCC1COC(=O)C1 Amb25212009 [0,0,0,1,0,1|2,0,0]=4 4176 B10R1.16 CCCCC1COC(=O)N1 Amb24482077 [0,0,0,1,0,1|2,0,0]=4 4177 B10R1.16 CCCC[C@@H]1COC(=O)N1 Amb22225366 [0,0,0,1,0,1|2,0,0]=4 4178 B10R1.16 CCCC[C@H]1COC(=O)N1 Amb22226709 [0,0,0,1,0,1|2,0,0]=4 4179 B10R1.16 CSCCC1=CC(=O)NN1 Amb24061972 [0,0,0,1,0,1|1,0,1]=4 4180 B10R1.16 CSCCC1CC(=O)CC1 Amb25729865 [0,0,0,1,0,1|2,0,0]=4 4181 B10R1.16 CSCCC1CCC(=O)N1 Amb25727823 [0,0,0,1,0,1|2,0,0]=4 4182 B10R1.16 CSCC[C@H]1CCC(=O)N1 Amb24535995 [0,0,0,1,0,1|2,0,0]=4 4183 B10R1.16 CSCC[C@H]1COC(=O)N1 Amb25742954 [0,0,0,1,0,1|1,0,0]=3 4184 B10R1.18 CC(=O)CC1CCCCN1 Amb10607341 [0,0,0,1,0,1|2,0,0]=4 4185 B10R1.18 CC(=O)CC1CCSCC1 Amb24753559 [0,0,0,1,0,1|2,0,0]=4 4186 B10R1.18 CC(=O)C[C@@H]1CCCCN1 Amb24308760 [0,0,0,1,0,1|2,0,0]=4 4187 B10R1.18 CC(=O)NC1CCCCN1 Amb25073991 [0,0,0,1,0,1|2,0,0]=4 4188 B10R1.18 CC(=O)NC1CCSCC1 Amb24743400 [0,0,0,1,0,1|2,0,0]=4 4189 B10R1.18 NC(=O)CC1CCCCN1 Amb1076649 [0,0,0,1,0,1|2,0,0]=4 4190 B10R1.18 NC(=O)CC1CCCCN1 Amb22283730 [0,0,0,1,0,1|2,0,0]=4 4191 B10R1.18 NC(=O)NC1CCSCC1 Amb25041225 [0,0,0,1,0,1|2,0,0]=4 4192 B10R1.18 OC(=O)CC1CCCCN1 Amb10576328 [0,0,0,1,0,1|1,0,0]=3 4193 B10R1.18 OC(=O)CC1CCCCN1 Amb1083025 [0,0,0,1,0,1|1,0,0]=3 4194 B10R1.18 OC(=O)CC1CCCCN1 Amb22587703 [0,0,0,1,0,1|1,0,0]=3 4195 B10R1.18 OC(=O)CC1CCCCO1 Amb1091980 [0,0,0,1,0,1|2,0,0]=4 4196 B10R1.18 OC(=O)CC1CCSCC1 Amb18283322 [0,0,0,1,0,1|1,0,0]=3 4197 B10R1.18 OC(=O)CC1COCCN1 Amb21964558 [0,0,0,1,0,1|2,0,0]=4 4198 B10R1.18 OC(=O)CC1CSCCN1 Amb18199026 [0,0,0,1,0,1|2,0,0]=4 4199 B10R1.18 OC(=O)CC1NCCCS1 Amb18645532 [0,0,0,1,0,1|2,0,0]=4 4200 B10R1.18 OC(=O)CN1CCSCC1 Amb10072976 [0,0,0,1,0,1|2,0,0]=4 4201 B10R1.18 OC(=O)C[C@@H]1CCCCN1 Amb13885774 [0,0,0,1,0,1|1,0,0]=3 4202 B10R1.18 OC(=O)C[C@@H]1CCCCO1 Amb24361310 [0,0,0,1,0,1|2,0,0]=4 4203 B10R1.18 OC(=O)C[C@@H]1COCCN1 Amb22745748 [0,0,0,1,0,1|2,0,0]=4 4204 B10R1.18 OC(=O)C[C@H]1CCCCN1 Amb13885779 [0,0,0,1,0,1|1,0,0]=3 4205 B10R1.18 OC(=O)NC1CCCCC1 Amb22039352 [0,0,0,1,0,1|2,0,0]=4 4206 B10R1.54 CC1CC(CC1)CC(O)=O Amb18643912 [0,0,0,1,0,1|2,0,0]=4 4207 B10R1.54 CC1CCC(=CC(O)=O)N1 Amb25077323 [0,0,0,1,0,1|1,0,1]=4 4208 B10R1.54 CC1CCC(CC(O)=O)O1 Amb24715878 [0,0,0,1,0,1|2,0,0]=4 4209 B10R1.54 CN1CC(CC(O)=O)CC1 Amb21857556 [0,0,0,1,0,1|2,0,0]=4 4210 B10R1.54 OC(=O)CC1CCC(=O)N1 Amb2372619 [0,0,0,1,0,1|2,0,0]=4 4211 B10R1.54 OC(=O)C[C@@H]1CCC(=O)N1 Amb22587587 [0,0,0,1,0,1|2,0,0]=4 4212 B10R1.54 OC(=O)C[C@H]1CCC(=O)N1 Amb22587585 [0,0,0,1,0,1|2,0,0]=4 4213 B10R1.61 CC(=O)C1CCCCC1N Amb18124599 [0,0,0,1,0,1|2,0,0]=4 4214 B10R1.61 CC(=O)[C@@H]1CCCC[C@H]1N Amb25286505 [0,0,0,1,0,1|2,0,0]=4 4215 B10R1.61 CC1CCCCC1C(=O)O Amb1923858 [0,0,0,1,0,1|2,0,0]=4 4216 B10R1.61 CC1CCNCC1C(O)=O Amb18124644 [0,0,0,1,0,1|2,0,0]=4 4217 B10R1.61 CC1CCOCC1C(O)=O Amb22229855 [0,0,0,1,0,1|1,1,0]=4 4218 B10R1.61 C[C@@H]1CCCC[C@@H]1C(=O)O Amb10843964 [0,0,0,1,0,1|2,0,0]=4 4219 B10R1.61 C[C@@H]1CCCC[C@H]1C(=O)O Amb10843965 [0,0,0,1,0,1|2,0,0]=4 4220 B10R1.61 C[C@H]1CCCC[C@@H]1C(=O)O Amb10843960 [0,0,0,1,0,1|2,0,0]=4 4221 B10R1.61 C[C@H]1CCCC[C@H]1C(=O)O Amb10843953 [0,0,0,1,0,1|2,0,0]=4 4222 B10R1.61 C[C@H]1CCNC[C@@H]1C(O)=O Amb25228414 [0,0,0,1,0,1|2,0,0]=4 4223 B10R1.61 NC1C=CSCC1C(O)=O Amb24480458 [0,0,0,1,0,1|0,0,2]=4 4224 B10R1.61 NC1CC=CCC1C(O)=O Amb18563429 [0,0,0,1,0,1|1,0,1]=4 4225 B10R1.61 NC1CC=CCC1C(O)=O Amb22367594 [0,0,0,1,0,1|1,0,1]=4 4226 B10R1.61 NC1CCCCC1C(=O)N Amb1125131 [0,0,0,1,0,1|2,0,0]=4 4227 B10R1.61 NC1CCCCC1C(N)=O Amb20623397 [0,0,0,1,0,1|2,0,0]=4 4228 B10R1.61 NC1CCCCC1C(O)=O Amb20626164 [0,0,0,1,0,1|1,0,0]=3 4229 B10R1.61 NC1CCCOC1C(O)=O Amb18202149 [0,0,0,1,0,1|2,0,0]=4 4230 B10R1.61 NC1CCNCC1C(=O)O Amb13886611 [0,0,0,1,0,1|1,0,0]=3 4231 B10R1.61 NC1CCOCC1C(N)=O Amb24708311 [0,0,0,1,0,1|1,1,0]=4 4232 B10R1.61 NC1COCCC1C(O)=O Amb18202372 [0,0,0,1,0,1|2,0,0]=4 4233 B10R1.61 NC=1CCCCC1C(O)=O Amb22228577 [0,0,0,1,0,1|1,0,1]=4 4234 B10R1.61 N[C@@H]1C=CSC[C@@H]1C(O)=O Amb24635580 [0,0,0,1,0,1|0,0,2]=4 4235 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(O)=O Amb22800975 [0,0,0,1,0,1|1,0,1]=4 4236 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O Amb1993723 [0,0,0,1,0,1|1,0,1]=4 4237 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)N Amb10608207 [0,0,0,1,0,1|2,0,0]=4 4238 B10R1.61 N[C@@H]1CCCC[C@@H]1C(N)=O Amb22757841 [0,0,0,1,0,1|2,0,0]=4 4239 B10R1.61 N[C@@H]1CCCC[C@@H]1C(O)=O Amb19148605 [0,0,0,1,0,1|1,0,0]=3 4240 B10R1.61 N[C@@H]1CCCC[C@@H]1C(O)=O Amb22224856 [0,0,0,1,0,1|1,0,0]=3 4241 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)N Amb1994026 [0,0,0,1,0,1|2,0,0]=4 4242 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O Amb1993721 [0,0,0,1,0,1|1,0,0]=3 4243 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O Amb1993765 [0,0,0,1,0,1|1,0,0]=3 4244 B10R1.61 N[C@@H]1COCC[C@@H]1C(O)=O Amb23399726 [0,0,0,1,0,1|2,0,0]=4 4245 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O Amb1993722 [0,0,0,1,0,1|1,0,1]=4 4246 B10R1.61 N[C@H]1CCCC[C@@H]1C(N)=O Amb24567421 [0,0,0,1,0,1|2,0,0]=4 4247 B10R1.61 N[C@H]1CCCC[C@@H]1C(O)=O Amb22224868 [0,0,0,1,0,1|1,0,0]=3 4248 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Amb1993720 [0,0,0,1,0,1|1,0,0]=3 4249 B10R1.61 OC(=O)C1CCCCC1Cl Amb18126348 [0,0,0,1,0,1|2,0,0]=4 4250 B10R1.61 OC(=O)C1CCCCC1S Amb18280240 [0,0,0,1,0,1|2,0,0]=4 4251 B10R1.61 OC(=O)C1CNCCC1F Amb24331967 [0,0,0,1,0,1|2,0,0]=4 4252 B10R1.61 OC(=O)C1CNCCC1S Amb25104987 [0,0,0,1,0,1|2,0,0]=4 4253 B10R1.61 OC(=O)C=1CSCCC1Cl Amb25830464 [0,0,0,1,0,1|1,0,1]=4 4254 B10R1.61 OC(=O)[C@H]1CCCC[C@H]1Br Amb24546671 [0,0,0,1,0,1|2,0,0]=4 4255 B10R1.61 OC(=O)[C@H]1CCCC[C@H]1Cl Amb24728090 [0,0,0,1,0,1|2,0,0]=4 4256 B10R1.61 OC1CCNCC1C(O)=O Amb18124719 [0,0,0,1,0,1|2,0,0]=4 4257 B10R1.61 OC1CCSCC1C(O)=O Amb24524336 [0,0,0,1,0,1|1,0,0]=3 4258 B10R1.61 O[C@@H]1CCCC[C@H]1C(=O)O Amb16204296 [0,0,0,1,0,1|2,0,0]=4 4259 B10R1.61 O[C@@H]1CCNC[C@H]1C(O)=O Amb25174782 [0,0,0,1,0,1|2,0,0]=4 4260 B10R1.61 O[C@H]1CCCC[C@@H]1C(O)=O Amb25260394 [0,0,0,1,0,1|2,0,0]=4 4261 B10R1.97 CCCC1CC1CC(O)=O Amb24679540 [0,0,0,1,0,1|2,0,0]=4 4262 B10R1.110 CC1CC1C(C)CC(O)=O Amb24666851 [0,0,0,1,0,1|2,0,0]=4 4263 B10R1.115 CC1CCC1(N)CC(O)=O Amb25209192 [0,0,0,1,0,1|1,0,0]=3 4264 B10R1.130 CC1NC(=O)OC1CCC Amb25715759 [0,0,0,1,0,1|2,0,0]=4 4265 B10R1.130 CCCC1OC(=O)CC1O Amb24659467 [0,0,0,1,0,1|2,0,0]=4 4266 B10R1.130 CCCC1OC(=O)N=C1N Amb24520845 [0,0,0,1,0,1|1,0,1]=4 4267 B10R1.130 CCOC1OC(=O)C[C@@H]1N Amb25791663 [0,0,0,1,0,1|2,0,0]=4 4268 B10R1.130 CCO[C@H]1OC(=O)C[C@@H]1N Amb24515055 [0,0,0,1,0,1|2,0,0]=4 4269 B10R1.130 C[C@H]1NC(=O)O[C@H]1CCC Amb25174900 [0,0,0,1,0,1|2,0,0]=4 4270 B10R1.130 NC1CC(=O)OC1CCN Amb18644153 [0,0,0,1,0,1|2,0,0]=4 4271 B10R1.130 N[C@@H]1CC(=O)O[C@H]1CCN Amb24598224 [0,0,0,1,0,1|2,0,0]=4 4272 B10R1.130 N[C@H]1CC(=O)O[C@H]1CCN Amb24516599 [0,0,0,1,0,1|2,0,0]=4 4273 B10R1.144 CCCCC1CC1C(=O)O Amb10608641 [0,0,0,1,0,1|2,0,0]=4 4274 B10R1.144 CCCC[C@@H]1O[C@H]1C(O)=O Amb24585157 [0,0,0,1,0,1|2,0,0]=4 4275 B10R1.144 CCCC[C@H]1O[C@@H]1C(O)=O Amb24562255 [0,0,0,1,0,1|2,0,0]=4 4276 B10R1.154 CCC1CC1(N)CC(O)=O Amb24477009 [0,0,0,1,0,1|1,0,0]=3 4277 B10R1.154 CCC1C[C@]1(N)CC(O)=O Amb24598408 [0,0,0,1,0,1|1,0,0]=3 4278 B10R1.168 CCC1CC(CC(O)=O)C1 Amb24585666 [0,0,0,1,0,1|2,0,0]=4 4279 B10R1.192 CC1CCC(C)C1C(O)=O Amb25072605 [0,0,0,1,0,1|2,0,0]=4 4280 B10R1.192 CC1CCC(F)C1C(O)=O Amb20623940 [0,0,0,1,0,1|2,0,0]=4 4281 B10R1.192 CC1CCC(N)C1C(O)=O Amb20623939 [0,0,0,1,0,1|1,0,0]=3 4282 B10R1.192 CC1CCC(O)C1C(O)=O Amb20623938 [0,0,0,1,0,1|2,0,0]=4 4283 B10R1.192 CC1CCN(C)C1C(O)=O Amb24399193 [0,0,0,1,0,1|2,0,0]=4 4284 B10R1.192 CC=1CCC(C)C1C(O)=O Amb25694285 [0,0,0,1,0,1|2,0,0]=4 4285 B10R1.192 CN1CCC(N)C1C(O)=O Amb18831502 [0,0,0,1,0,1|1,0,0]=3 4286 B10R1.192 CN1CCC(N)[C@H]1C(O)=O Amb24450098 [0,0,0,1,0,1|1,0,0]=3 4287 B10R1.192 CN1CCC(O)C1C(O)=O Amb24441138 [0,0,0,1,0,1|2,0,0]=4 4288 B10R1.192 CN1CC[C@@H](O)[C@H]1C(O)=O Amb25324440 [0,0,0,1,0,1|2,0,0]=4 4289 B10R1.192 C[C@@H]1CC[C@H](C)[C@@H]1C(O)=O Amb25064285 [0,0,0,1,0,1|2,0,0]=4 4290 B10R1.192 C[C@H]1CCC(C)C1C(O)=O Amb25317238 [0,0,0,1,0,1|2,0,0]=4 4291 B10R1.192 C[C@H]1CC[C@@H](C)[C@@H]1C(O)=O Amb25739166 [0,0,0,1,0,1|2,0,0]=4 4292 B10R1.192 NC1CCS(=O)C1C(O)=O Amb24553822 [0,0,0,1,0,1|1,0,1]=4 4293 B10R1.266 CN(CC(O)=O)C1CSC1 Amb25253369 [0,0,0,1,0,1|2,0,0]=4 4294 B10R1.266 N[C@@H](CC(N)=O)C1CCC1 Amb25688130 [0,0,0,1,0,1|2,0,0]=4 4295 B10R1.266 N[C@@H](CC(O)=O)C1CCC1 Amb24538021 [0,0,0,1,0,1|1,0,0]=3 4296 B10R1.266 N[C@H](CC(O)=O)C1CCC1 Amb25324207 [0,0,0,1,0,1|1,0,0]=3 4297 B10R1.268 CC(CC1CC1)CC(O)=O Amb25147806 [0,0,0,1,0,1|2,0,0]=4 4298 B10R1.268 NC(CC1CC1)CC(O)=O Amb25704189 [0,0,0,1,0,1|1,0,0]=3 4299 B10R1.370 NC1(CC(O)=O)CCCC1 Amb22295785 [0,0,0,1,0,1|1,0,0]=3 4300 B10R1.370 NC1(CC(O)=O)CCCC1 Amb22337063 [0,0,0,1,0,1|1,0,0]=3 4301 B10R1.370 NC1(COCC1)CC(O)=O Amb22059549 [0,0,0,1,0,1|0,1,0]=3 4302 B10R1.370 NC1(CSCC1)CC(O)=O Amb23515102 [0,0,0,1,0,1|0,0,0]=2 4303 B10R1.370 OC(=O)CC1(C)CCCC1 Amb17194150 [0,0,0,1,0,1|2,0,0]=4 4304 B10R1.370 OC(=O)CC1(O)CCCC1 Amb18285919 [0,0,0,1,0,1|2,0,0]=4 4305 B10R1.370 OC(=O)CC1(O)CNCC1 Amb25135404 [0,0,0,1,0,1|2,0,0]=4 4306 B10R1.28 OP(O)(=O)[C@@H]1CCCCN1 Amb25742966 [0,1,0,1,0,0|2,0,0]=4 4307 B10R1.36 CCC1CC(N)P(O)(=O)O1 Amb25218931 [0,1,0,1,0,0|2,0,0]=4 4308 B10R1.36 CCC1C[C@@H](N)P(O)(=O)O1 Amb24443266 [0,1,0,1,0,0|2,0,0]=4 4309 B10R1.167 CCC1CC1(N)P(O)(O)=O Amb24375538 [0,1,0,1,0,0|2,0,0]=4 4310 B10R1.304 NC1(CSCC1)P(O)(O)=O Amb24478189 [0,1,0,1,0,0|1,0,0]=3 4311 B10R1.22 CC1CC(C)NC(=O)C1N Amb24509180 [0,1,0,1,0,0|2,0,0]=4 4312 B10R1.22 CC1CC(N)C(O)C(=O)O1 Amb24728818 [0,1,0,1,0,0|2,0,0]=4 4313 B10R1.22 CC1CC(O)C(O)C(=O)O1 Amb24544333 [0,1,0,1,0,0|2,0,0]=4 4314 B10R1.22 C[C@H]1C[C@@H](N)[C@H](O)C(=O)O1 Amb25174851 [0,1,0,1,0,0|2,0,0]=4 4315 B10R1.23 CC(=O)C(N)C1CCCC1 Amb25146248 [0,1,0,1,0,0|2,0,0]=4 4316 B10R1.23 CC(C(=O)O)C1CCCC1 Amb17087540 [0,1,0,1,0,0|2,0,0]=4 4317 B10R1.23 CC(C(O)=O)N1CCCC1 Amb21953997 [0,1,0,1,0,0|2,0,0]=4 4318 B10R1.23 CC(C1CC=CC1)C(O)=O Amb25077183 [0,1,0,1,0,0|2,0,0]=4 4319 B10R1.23 CC(C1CCCN1)C(O)=O Amb18202477 [0,1,0,1,0,0|2,0,0]=4 4320 B10R1.23 CC(C1CCNC1)C(O)=O Amb18831577 [0,1,0,1,0,0|2,0,0]=4 4321 B10R1.23 CC(C1CCOC1)C(O)=O Amb18831507 [0,1,0,1,0,0|1,1,0]=4 4322 B10R1.23 CC([C@@H]1CCCN1)C(O)=O Amb24744490 [0,1,0,1,0,0|2,0,0]=4 4323 B10R1.23 C[C@@H](N1CCCC1)C(O)=O Amb17935706 [0,1,0,1,0,0|2,0,0]=4 4324 B10R1.23 C[C@@H]([C@@H]1CCCN1)C(O)=O Amb25366363 [0,1,0,1,0,0|2,0,0]=4 4325 B10R1.23 NC(=O)C(Cl)C1CCSC1 Amb24420787 [0,1,0,1,0,0|2,0,0]=4 4326 B10R1.23 NC(=O)C(O)C1CCSC1 Amb24618840 [0,1,0,1,0,0|2,0,0]=4 4327 B10R1.23 NC(C1C=CCN1)C(O)=O Amb25344825 [0,1,0,1,0,0|1,0,1]=4 4328 B10R1.23 NC(C1CC=CC1)C(N)=O Amb25223920 [0,1,0,1,0,0|2,0,0]=4 4329 B10R1.23 NC(C1CC=CC1)C(O)=O Amb24470260 [0,1,0,1,0,0|1,0,0]=3 4330 B10R1.23 NC(C1CCC=C1)C(O)=O Amb18643720 [0,1,0,1,0,0|1,0,1]=4 4331 B10R1.23 NC(C1CCCC1)C(N)=O Amb18958717 [0,1,0,1,0,0|2,0,0]=4 4332 B10R1.23 NC(C1CCCC1)C(O)=O Amb19373068 [0,1,0,1,0,0|1,0,0]=3 4333 B10R1.23 NC(C1CCCC1)P(O)=O Amb24739738 [0,1,0,1,0,0|2,0,0]=4 4334 B10R1.23 NC(C1CCCN1)C(O)=O Amb25336088 [0,1,0,1,0,0|1,0,0]=3 4335 B10R1.23 NC(C1CCCO1)C(O)=O Amb18644193 [0,1,0,1,0,0|1,0,0]=3 4336 B10R1.23 NC(C1CCSC1)C(O)=O Amb25837887 [0,1,0,1,0,0|0,0,0]=2 4337 B10R1.23 NC(C1COCC1)C(N)=O Amb18950565 [0,1,0,1,0,0|1,1,0]=4 4338 B10R1.23 N[C@@H](C1CC=CC1)C(O)=O Amb25722994 [0,1,0,1,0,0|1,0,0]=3 4339 B10R1.23 N[C@@H](C1CCCC1)C(N)=O Amb24376349 [0,1,0,1,0,0|2,0,0]=4 4340 B10R1.23 N[C@@H](C1CCOC1)C(O)=O Amb24353330 [0,1,0,1,0,0|0,1,0]=3 4341 B10R1.23 N[C@@H]([C@@H]1C=CCO1)C(O)=O Amb25291629 [0,1,0,1,0,0|1,0,1]=4 4342 B10R1.23 N[C@@H]([C@@H]1CCOC1)C(O)=O Amb24621873 [0,1,0,1,0,0|0,1,0]=3 4343 B10R1.23 N[C@@H]([C@H]1CCCO1)C(O)=O Amb24641550 [0,1,0,1,0,0|1,0,0]=3 4344 B10R1.23 N[C@@H]([C@H]1CCOC1)C(O)=O Amb24621874 [0,1,0,1,0,0|0,1,0]=3 4345 B10R1.23 N[C@H](C1CCOC1)C(O)=O Amb24437668 [0,1,0,1,0,0|0,1,0]=3 4346 B10R1.23 N[C@H]([C@@H]1C=CCO1)C(O)=O Amb25238689 [0,1,0,1,0,0|1,0,1]=4 4347 B10R1.23 N[C@H]([C@@H]1CCOC1)C(O)=O Amb25237857 [0,1,0,1,0,0|0,1,0]=3 4348 B10R1.23 OC(=O)C(=O)N1CSCC1 Amb25795214 [0,1,0,1,0,0|1,0,1]=4 4349 B10R1.23 OC(=O)C(Br)C1CCCC1 Amb18130988 [0,1,0,1,0,0|2,0,0]=4 4350 B10R1.23 OC(=O)C(Cl)C1CCCC1 Amb18126355 [0,1,0,1,0,0|2,0,0]=4 4351 B10R1.23 OC(=O)C(Cl)C1CCOC1 Amb25789695 [0,1,0,1,0,0|1,1,0]=4 4352 B10R1.23 OC(=O)C(F)C1CCNC1 Amb25135110 [0,1,0,1,0,0|2,0,0]=4 4353 B10R1.23 OC(C1CCCC1)C(O)=O Amb18958313 [0,1,0,1,0,0|2,0,0]=4 4354 B10R1.23 OC(C1CNCC1)C(O)=O Amb18124721 [0,1,0,1,0,0|2,0,0]=4 4355 B10R1.23 OC(C1COCC1)C(O)=O Amb18952019 [0,1,0,1,0,0|1,1,0]=4 4356 B10R1.23 OC(C1CSCC1)C(O)=O Amb25788192 [0,1,0,1,0,0|1,0,0]=3 4357 B10R1.23 O[C@H]([C@@H]1CCCN1)C(O)=O Amb25344945 [0,1,0,1,0,0|2,0,0]=4 4358 B10R1.34 CC1C(N)C(=O)OC1CC Amb24357552 [0,1,0,1,0,0|1,0,0]=3 4359 B10R1.34 CC[C@@H]1OC(=O)[C@@H](O)[C@H]1O Amb25175501 [0,1,0,1,0,0|2,0,0]=4 4360 B10R1.34 C[C@@H]1[C@H](N)C(=O)OC1CC Amb24515062 [0,1,0,1,0,0|1,0,0]=3 4361 B10R1.34 C[C@@H]1[C@H](N)C(=O)O[C@H]1CC Amb25291601 [0,1,0,1,0,0|1,0,0]=3 4362 B10R1.34 C[C@H]1[C@H](N)C(=O)O[C@@H]1CC Amb24580894 [0,1,0,1,0,0|1,0,0]=3 4363 B10R1.34 NC1C(O)C(CBr)OC1=O Amb24477387 [0,1,0,1,0,0|2,0,0]=4 4364 B10R1.34 NC1CC(CO)N(O)C1=O Amb24523141 [0,1,0,1,0,0|2,0,0]=4 4365 B10R1.34 NC[C@H]1OC(=O)[C@@H](N)[C@@H]1N Amb25203877 [0,1,0,1,0,0|2,0,0]=4 4366 B10R1.34 N[C@@H]1[C@@H](N)[C@@H](CO)OC1=O Amb24527782 [0,1,0,1,0,0|2,0,0]=4 4367 B10R1.34 N[C@H]1C[C@@H](CO)N(O)C1=O Amb24615649 [0,1,0,1,0,0|2,0,0]=4 4368 B10R1.34 N[C@H]1[C@@H](N)[C@@H](CO)OC1=O Amb25224606 [0,1,0,1,0,0|2,0,0]=4 4369 B10R1.51 C[C@H]1[C@H](CO)[C@]1(N)C(O)=O Amb24598357 [0,1,0,1,0,0|2,0,0]=4 4370 B10R1.59 CC1CC(=O)NC1C(O)=O Amb25063723 [0,1,0,1,0,0|2,0,0]=4 4371 B10R1.59 CC1CC(C)NC1C(O)=O Amb25126900 [0,1,0,1,0,0|1,0,0]=3 4372 B10R1.59 CC1CC(N)C(O1)C(O)=O Amb24609573 [0,1,0,1,0,0|2,0,0]=4 4373 B10R1.59 CC1CC(O)C(N1)C(O)=O Amb25737391 [0,1,0,1,0,0|1,0,0]=3 4374 B10R1.59 CC1CC(O)NC1C(O)=O Amb24505217 [0,1,0,1,0,0|2,0,0]=4 4375 B10R1.59 CC1CN(C)CC1C(O)=O Amb24478023 [0,1,0,1,0,0|2,0,0]=4 4376 B10R1.59 CC=1C[C@@H](N)[C@H](C1)C(O)=O Amb24499611 [0,1,0,1,0,0|2,0,0]=4 4377 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(O)=O Amb24545555 [0,1,0,1,0,0|2,0,0]=4 4378 B10R1.59 C[C@@H]1CN(C)C[C@H]1C(O)=O Amb24643115 [0,1,0,1,0,0|2,0,0]=4 4379 B10R1.59 C[C@@H]1C[C@H](Cl)[C@H](O1)C(O)=O Amb24628935 [0,1,0,1,0,0|2,0,0]=4 4380 B10R1.59 OC(=O)C1NC(=O)CC1F Amb24468191 [0,1,0,1,0,0|2,0,0]=4 4381 B10R1.59 OC(=O)[C@@H]1NC(=O)C[C@H]1O Amb24567678 [0,1,0,1,0,0|2,0,0]=4 4382 B10R1.59 OC(=O)[C@H]1NC(=O)C[C@H]1O Amb24515079 [0,1,0,1,0,0|2,0,0]=4 4383 B10R1.86 CCCC1CCC1C(O)=O Amb24670782 [0,1,0,1,0,0|2,0,0]=4 4384 B10R1.86 COCC1CCC1C(O)=O Amb24713218 [0,1,0,1,0,0|1,1,0]=4 4385 B10R1.94 CC1C(CCC)OCC1=O Amb25263112 [0,1,0,1,0,0|2,0,0]=4 4386 B10R1.94 CCC[C@@H]1ONC(=O)[C@H]1N Amb24586765 [0,1,0,1,0,0|1,0,0]=3 4387 B10R1.155 CC[C@@H]1C[C@H]1[C@@H](N)C(O)=O Amb25245291 [0,1,0,1,0,0|1,0,0]=3 4388 B10R1.155 NC([C@H]1C[C@H]1CO)C(O)=O Amb24606173 [0,1,0,1,0,0|1,0,0]=3 4389 B10R1.163 N[C@@H]1[C@@H](C[C@H]1C(O)=O)CO Amb24626133 [0,1,0,1,0,0|2,0,0]=4 4390 B10R1.163 O[C@@H]1[C@@H](CO)N[C@H]1C(O)=O Amb24642070 [0,1,0,1,0,0|2,0,0]=4 4391 B10R1.275 CC1C(O)CCCOC1=O Amb25047982 [0,1,0,1,0,0|2,0,0]=4 4392 B10R1.275 CN1CCCCC(N)C1=O Amb22492778 [0,1,0,1,0,0|2,0,0]=4 4393 B10R1.275 CN1CCCC[C@@H](N)C1=O Amb17933194 [0,1,0,1,0,0|2,0,0]=4 4394 B10R1.275 CN1CCCC[C@@H](N)C1=O Amb22746499 [0,1,0,1,0,0|2,0,0]=4 4395 B10R1.275 NC1C(O)CCCNC1=O Amb25303111 [0,1,0,1,0,0|2,0,0]=4 4396 B10R1.275 NC1CCCCN(O)C1=O Amb24753640 [0,1,0,1,0,0|1,0,0]=3 4397 B10R1.275 N[C@H]1CCCCN(O)C1=O Amb25678144 [0,1,0,1,0,0|1,0,0]=3 4398 B10R1.275 OC1CCCCC(O)C1=O Amb25707517 [0,1,0,1,0,0|2,0,0]=4 4399 B10R1.278 CC(C(C)C1CC1)C(O)=O Amb18202584 [0,1,0,1,0,0|2,0,0]=4 4400 B10R1.278 CC(C(N)C(O)=O)C1CC1 Amb18202475 [0,1,0,1,0,0|1,0,0]=3 4401 B10R1.278 CC(C1CC1)C(N)C(N)=O Amb25107217 [0,1,0,1,0,0|2,0,0]=4 4402 B10R1.278 CC([C@H](N)C(O)=O)C1CC1 Amb24599396 [0,1,0,1,0,0|1,0,0]=3 4403 B10R1.278 NC(C(O)C1CC1)C(O)=O Amb18202143 [0,1,0,1,0,0|1,0,0]=3 4404 B10R1.278 OC(=O)C(Cl)C(Cl)C1CC1 Amb24482300 [0,1,0,1,0,0|2,0,0]=4 4405 B10R1.291 CC1(CCCC1N)C(O)=O Amb18643994 [0,1,0,1,0,0|2,0,0]=4 4406 B10R1.291 CC1(CCCC1O)C(O)=O Amb18644145 [0,1,0,1,0,0|2,0,0]=4 4407 B10R1.291 CC1(COCC1N)C(O)=O Amb25202537 [0,1,0,1,0,0|1,1,0]=4 4408 B10R1.291 CC1=CCCC1(C)C(O)=O Amb18643548 [0,1,0,1,0,0|2,0,0]=4 4409 B10R1.291 CC1=CCCC1(O)C(O)=O Amb24585235 [0,1,0,1,0,0|2,0,0]=4 4410 B10R1.291 CC1CCCC1(C)C(O)=O Amb18643950 [0,1,0,1,0,0|2,0,0]=4 4411 B10R1.291 CC1CCCC1(O)C(O)=O Amb24505300 [0,1,0,1,0,0|2,0,0]=4 4412 B10R1.291 CC1CSCC1(N)C(O)=O Amb24340085 [0,1,0,1,0,0|0,0,0]=2 4413 B10R1.291 CC1CSCC1(O)C(N)=O Amb24509382 [0,1,0,1,0,0|2,0,0]=4 4414 B10R1.291 CC1CSCC1(O)C(O)=O Amb24602284 [0,1,0,1,0,0|1,0,0]=3 4415 B10R1.291 CC1NCCC1(O)C(O)=O Amb25212774 [0,1,0,1,0,0|2,0,0]=4 4416 B10R1.291 CC1SCCC1(N)C(O)=O Amb25275870 [0,1,0,1,0,0|0,0,0]=2 4417 B10R1.291 CC1SCCC1(O)C(N)=O Amb24481024 [0,1,0,1,0,0|2,0,0]=4 4418 B10R1.291 CN1CCCC1(O)C(O)=O Amb24746682 [0,1,0,1,0,0|2,0,0]=4 4419 B10R1.291 CN1CCC[C@@]1(C)C(O)=O Amb25068442 [0,1,0,1,0,0|2,0,0]=4 4420 B10R1.291 C[C@@H]1CCC[C@@]1(C)C(O)=O Amb24715474 [0,1,0,1,0,0|2,0,0]=4 4421 B10R1.291 C[C@@H]1CCC[C@]1(C)C(O)=O Amb24580792 [0,1,0,1,0,0|2,0,0]=4 4422 B10R1.291 C[C@@H]1CCC[C@]1(N)C(N)=O Amb25214323 [0,1,0,1,0,0|2,0,0]=4 4423 B10R1.291 C[C@@H]1CCC[C@]1(N)C(O)=O Amb24562232 [0,1,0,1,0,0|1,0,0]=3 4424 B10R1.291 C[C@@H]1CSC[C@@]1(N)C(O)=O Amb24512166 [0,1,0,1,0,0|0,0,0]=2 4425 B10R1.291 C[C@@]1(CCC[C@@H]1N)C(O)=O Amb24580091 [0,1,0,1,0,0|2,0,0]=4 4426 B10R1.291 C[C@H]1CCC[C@@]1(C)C(O)=O Amb25340524 [0,1,0,1,0,0|2,0,0]=4 4427 B10R1.291 C[C@H]1CCC[C@]1(N)C(O)=O Amb24585699 [0,1,0,1,0,0|1,0,0]=3 4428 B10R1.291 C[C@H]1SCC[C@]1(O)C(O)=O Amb25240625 [0,1,0,1,0,0|1,0,0]=3 4429 B10R1.291 C[C@]1(CCC[C@@H]1N)C(O)=O Amb22504290 [0,1,0,1,0,0|2,0,0]=4 4430 B10R1.291 C[C@]1(CCC[C@H]1N)C(O)=O Amb25268531 [0,1,0,1,0,0|2,0,0]=4 4431 B10R1.291 NC1(COCC1F)C(O)=O Amb24722195 [0,1,0,1,0,0|0,1,0]=3 4432 B10R1.291 NC1CCCC1(N)C(N)=O Amb25703148 [0,1,0,1,0,0|2,0,0]=4 4433 B10R1.291 NC1CCCC1(O)C(O)=O Amb25368393 [0,1,0,1,0,0|2,0,0]=4 4434 B10R1.291 N[C@@H]1CCC[C@@]1(O)C(O)=O Amb25175063 [0,1,0,1,0,0|2,0,0]=4 4435 B10R1.291 N[C@@]1(CCC[C@@H]1O)C(O)=O Amb24597165 [0,1,0,1,0,0|1,0,0]=3 4436 B10R1.291 N[C@@]1(CCC[C@H]1F)C(O)=O Amb24761477 [0,1,0,1,0,0|1,0,0]=3 4437 B10R1.291 N[C@@]1(CCC[C@H]1O)C(O)=O Amb24604346 [0,1,0,1,0,0|1,0,0]=3 4438 B10R1.291 N[C@]1(CCCC1O)C(O)=O Amb24459542 [0,1,0,1,0,0|1,0,0]=3 4439 B10R1.291 N[C@]1(CCC[C@@H]1O)C(O)=O Amb24579395 [0,1,0,1,0,0|1,0,0]=3 4440 B10R1.291 N[C@]1(CCC[C@H]1O)C(O)=O Amb25174849 [0,1,0,1,0,0|1,0,0]=3 4441 B10R1.291 N[C@]1(COC[C@@H]1F)C(O)=O Amb24542712 [0,1,0,1,0,0|0,1,0]=3 4442 B10R1.291 OC(=O)C1(F)CCCC1F Amb24654072 [0,1,0,1,0,0|2,0,0]=4 4443 B10R1.291 OC(=O)C1(F)CNCC1F Amb24559376 [0,1,0,1,0,0|2,0,0]=4 4444 B10R1.319 CCCC1CC1(N)C(O)=O Amb24391690 [0,1,0,1,0,0|1,0,0]=3 4445 B10R1.319 CCC[C@@H]1C[C@]1(N)C(O)=O Amb24610769 [0,1,0,1,0,0|1,0,0]=3 4446 B10R1.319 CCC[C@@H]1O[C@@]1(C)C(O)=O Amb25340484 [0,1,0,1,0,0|2,0,0]=4 4447 B10R1.319 CSC[C@@H]1C[C@@]1(N)C(O)=O Amb24600099 [0,1,0,1,0,0|0,0,0]=2 4448 B10R1.319 CSC[C@@H]1C[C@]1(N)C(O)=O Amb25353330 [0,1,0,1,0,0|0,0,0]=2 4449 B10R1.319 N[C@]1(C[C@H]1CCO)C(O)=O Amb24598165 [0,1,0,1,0,0|1,0,0]=3 4450 B10R1.393 CCCC1(C)CC1C(O)=O Amb18297989 [0,1,0,1,0,0|2,0,0]=4 4451 B10R1.393 CCCC1(C)OC1C(O)=O Amb25320260 [0,1,0,1,0,0|2,0,0]=4 4452 B10R1.393 COCC1(C)CC1C(O)=O Amb18299135 [0,1,0,1,0,0|1,1,0]=4 4453 B10R1.393 COCC1(C)OC1C(O)=O Amb25757956 [0,1,0,1,0,0|1,1,0]=4 4454 B10R1.495 CC(C(O)=O)C1(O)CCC1 Amb18961465 [0,1,0,1,0,0|2,0,0]=4 4455 B10R1.495 CC(C(O)=O)C1(O)CSC1 Amb25228626 [0,1,0,1,0,0|1,0,0]=3 4456 B10R1.495 CC1(COC1)C(N)C(O)=O Amb24524694 [0,1,0,1,0,0|0,1,0]=3 4457 B10R1.495 C[C@@H](C(O)=O)C1(O)CCC1 Amb24182053 [0,1,0,1,0,0|2,0,0]=4 4458 B10R1.495 NC(C(O)=O)C1(F)COC1 Amb24735386 [0,1,0,1,0,0|0,1,0]=3 4459 B10R1.495 NC(C(O)=O)C1(S)CCC1 Amb24740669 [0,1,0,1,0,0|1,0,0]=3 4460 B10R1.495 OC(C(O)=O)C1(O)CCC1 Amb24561983 [0,1,0,1,0,0|2,0,0]=4 4461 B10R1.13 CC(=O)C1CCC(N)CN1 Amb24086446 [0,1,0,1,0,0|2,0,0]=4 4462 B10R1.13 CC1CCC(C=C1)C(O)=O Amb18124590 [0,1,0,1,0,0|2,0,0]=4 4463 B10R1.13 CC1CCC(CN1)C(O)=O Amb18643999 [0,1,0,1,0,0|1,0,0]=3 4464 B10R1.13 CC1CCC(NC1)C(O)=O Amb25324436 [0,1,0,1,0,0|1,0,0]=3 4465 B10R1.13 CC=1CCC(CC1)C(O)=O Amb18124574 [0,1,0,1,0,0|2,0,0]=4 4466 B10R1.13 CC=1CC[C@@H](CC1)C(O)=O Amb24746758 [0,1,0,1,0,0|2,0,0]=4 4467 B10R1.13 CC=1CC[C@H](CC1)C(O)=O Amb24505311 [0,1,0,1,0,0|2,0,0]=4 4468 B10R1.13 CN1CCC(CC1)C(=O)O Amb2236137 [0,1,0,1,0,0|2,0,0]=4 4469 B10R1.13 CN1CCC(CC1)C(=O)O Amb2237314 [0,1,0,1,0,0|2,0,0]=4 4470 B10R1.13 CN1CCC(CC1)C(O)=O Amb22491433 [0,1,0,1,0,0|2,0,0]=4 4471 B10R1.13 CN1CCC(CC1)C(O)=O Amb22491939 [0,1,0,1,0,0|2,0,0]=4 4472 B10R1.13 CN1CCC(CN1)C(O)=O Amb25311512 [0,1,0,1,0,0|1,0,0]=3 4473 B10R1.13 C[C@@H]1CC[C@@H](CC1)C(=O)O Amb10843977 [0,1,0,1,0,0|2,0,0]=4 4474 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(O)=O Amb24620510 [0,1,0,1,0,0|1,0,0]=3 4475 B10R1.13 C[C@@H]1CC[C@H](CN1)C(O)=O Amb24059653 [0,1,0,1,0,0|1,0,0]=3 4476 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(O)=O Amb24694579 [0,1,0,1,0,0|2,0,0]=4 4477 B10R1.13 C[C@H]1CC[C@H](CN1)C(O)=O Amb24580654 [0,1,0,1,0,0|1,0,0]=3 4478 B10R1.13 C[C@H]1CN[C@@H](CO1)C(O)=O Amb24699378 [0,1,0,1,0,0|2,0,0]=4 4479 B10R1.13 NC1CCC(OC1)C(O)=O Amb23596938 [0,1,0,1,0,0|2,0,0]=4 4480 B10R1.13 NC1CCC(SC1)C(O)=O Amb23596933 [0,1,0,1,0,0|2,0,0]=4 4481 B10R1.13 N[C@@H]1CC[C@@H](CC1)C(=O)O Amb10070763 [0,1,0,1,0,0|2,0,0]=4 4482 B10R1.13 N[C@H]1CC[C@@H](OC1)C(O)=O Amb24708815 [0,1,0,1,0,0|2,0,0]=4 4483 B10R1.13 OC(=O)C1CC=C(F)CN1 Amb25175831 [0,1,0,1,0,0|1,0,1]=4 4484 B10R1.13 OC(=O)C1CCC(=C)CC1 Amb15695314 [0,1,0,1,0,0|2,0,0]=4 4485 B10R1.13 OC(=O)C1CCC(=O)CN1 Amb21960863 [0,1,0,1,0,0|1,0,0]=3 4486 B10R1.13 OC(=O)C1CCC(=O)CO1 Amb23596936 [0,1,0,1,0,0|2,0,0]=4 4487 B10R1.13 OC(=O)C1CCC(=O)CS1 Amb23596925 [0,1,0,1,0,0|2,0,0]=4 4488 B10R1.13 OC(=O)C1CCC(=O)NN1 Amb23441127 [0,1,0,1,0,0|2,0,0]=4 4489 B10R1.13 OC(=O)C1CCC(CC1)[*] Amb20246716 [0,1,0,1,0,0|2,0,0]=4 4490 B10R1.13 OC(=O)C1CCC(Cl)CC1 Amb18126347 [0,1,0,1,0,0|2,0,0]=4 4491 B10R1.13 OC(=O)C1CCC(Cl)CN1 Amb25200089 [0,1,0,1,0,0|1,0,0]=3 4492 B10R1.13 OC(=O)C1CCC(F)CC1 Amb20670645 [0,1,0,1,0,0|2,0,0]=4 4493 B10R1.13 OC(=O)C1CCC(S)NC1 Amb24635693 [0,1,0,1,0,0|2,0,0]=4 4494 B10R1.13 OC(=O)C1CCS(=O)CC1 Amb25295426 [0,1,0,1,0,0|1,0,1]=4 4495 B10R1.13 OC(=O)C1CNC(=O)CN1 Amb22235954 [0,1,0,1,0,0|2,0,0]=4 4496 B10R1.13 OC(=O)C1CNC(=O)CN1 Amb22641428 [0,1,0,1,0,0|2,0,0]=4 4497 B10R1.13 OC(=O)[C@@H]1CCC(=O)CN1 Amb24655763 [0,1,0,1,0,0|1,0,0]=3 4498 B10R1.13 OC(=O)[C@@H]1CC[C@@H](Cl)CC1 Amb24482268 [0,1,0,1,0,0|2,0,0]=4 4499 B10R1.13 OC(=O)[C@@H]1CC[C@@H](F)CN1 Amb24763804 [0,1,0,1,0,0|1,0,0]=3 4500 B10R1.13 OC(=O)[C@@H]1CNC(=O)CN1 Amb22746776 [0,1,0,1,0,0|2,0,0]=4 4501 B10R1.13 OC(=O)[C@@H]1CNC(=O)CN1 Amb22756547 [0,1,0,1,0,0|2,0,0]=4 4502 B10R1.13 OC(=O)[C@H]1CC[C@@H](Cl)CC1 Amb25295435 [0,1,0,1,0,0|2,0,0]=4 4503 B10R1.13 OC(=O)[C@H]1CC[C@@H](Cl)CN1 Amb24745771 [0,1,0,1,0,0|1,0,0]=3 4504 B10R1.13 OC(=O)[C@H]1CC[C@@H](S)CC1 Amb25109333 [0,1,0,1,0,0|2,0,0]=4 4505 B10R1.13 OC(=O)[C@H]1CNC(=O)CN1 Amb24423079 [0,1,0,1,0,0|2,0,0]=4 4506 B10R1.13 OC1CCC(NC1)C(O)=O Amb22034512 [0,1,0,1,0,0|1,0,0]=3 4507 B10R1.13 OC1CCC(OC1)C(O)=O Amb23596937 [0,1,0,1,0,0|2,0,0]=4 4508 B10R1.13 OC1CCC(SC1)C(O)=O Amb23596932 [0,1,0,1,0,0|2,0,0]=4 4509 B10R1.13 OC1CC[C@H](NC1)C(O)=O Amb24401087 [0,1,0,1,0,0|1,0,0]=3 4510 B10R1.13 OC1CNC(CN1)C(O)=O Amb25332404 [0,1,0,1,0,0|2,0,0]=4 4511 B10R1.13 O[C@@H]1CC[C@@H](NC1)C(O)=O Amb23440007 [0,1,0,1,0,0|1,0,0]=3 4512 B10R1.13 O[C@@H]1CC[C@@H](NC1)C(O)=O Amb23440183 [0,1,0,1,0,0|1,0,0]=3 4513 B10R1.13 O[C@@H]1CC[C@H](CC1)C(O)=O Amb22387641 [0,1,0,1,0,0|2,0,0]=4 4514 B10R1.13 O[C@@H]1CC[C@H](NC1)C(O)=O Amb24120629 [0,1,0,1,0,0|1,0,0]=3 4515 B10R1.13 O[C@H]1CC[C@@H](OC1)C(O)=O Amb24725149 [0,1,0,1,0,0|2,0,0]=4 4516 B10R1.13 O[C@H]1CC[C@H](CC1)C(O)=O Amb22387642 [0,1,0,1,0,0|2,0,0]=4 4517 B10R1.58 CC(=O)C1CC(C)C(=O)O1 Amb25146781 [0,1,0,1,0,0|2,0,0]=4 4518 B10R1.58 CC(C)C1CC(N)C(=O)O1 Amb25200018 [0,1,0,1,0,0|1,0,0]=3 4519 B10R1.58 CC(O)C1CC(Br)C(=O)O1 Amb24370140 [0,1,0,1,0,0|2,0,0]=4 4520 B10R1.58 CC(O)C1CC(O)C(=O)O1 Amb25761049 [0,1,0,1,0,0|2,0,0]=4 4521 B10R1.58 CC1CC(CC1O)C(O)=O Amb25072588 [0,1,0,1,0,0|2,0,0]=4 4522 B10R1.58 CC1CC(CN1C)C(O)=O Amb18831573 [0,1,0,1,0,0|2,0,0]=4 4523 B10R1.58 CC1CC(NC1=O)C(O)=O Amb24561629 [0,1,0,1,0,0|2,0,0]=4 4524 B10R1.58 CC1C[C@H](NC1=O)C(O)=O Amb24425935 [0,1,0,1,0,0|2,0,0]=4 4525 B10R1.58 CC1C[C@H](NC1O)C(O)=O Amb25759035 [0,1,0,1,0,0|2,0,0]=4 4526 B10R1.58 CC1NC(CC1=O)C(O)=O Amb24681544 [0,1,0,1,0,0|1,0,1]=4 4527 B10R1.58 CC1NC(CC1C)C(O)=O Amb18831587 [0,1,0,1,0,0|1,0,0]=3 4528 B10R1.58 CC1NC(C[C@@H]1O)C(O)=O Amb25111979 [0,1,0,1,0,0|1,0,0]=3 4529 B10R1.58 CC1N[C@@H](CC1O)C(O)=O Amb24481172 [0,1,0,1,0,0|1,0,0]=3 4530 B10R1.58 CC1OC(CC1C)C(O)=O Amb24368255 [0,1,0,1,0,0|2,0,0]=4 4531 B10R1.58 CC1OC(CC1O)C(O)=O Amb24366663 [0,1,0,1,0,0|2,0,0]=4 4532 B10R1.58 C[C@@H](O)[C@@H]1C[C@H](O)C(=O)O1 Amb24515478 [0,1,0,1,0,0|2,0,0]=4 4533 B10R1.58 C[C@@H]1C[C@H](NC1=O)C(O)=O Amb25294315 [0,1,0,1,0,0|2,0,0]=4 4534 B10R1.58 C[C@@H]1N[C@@H](CC1=O)C(O)=O Amb25176921 [0,1,0,1,0,0|1,0,1]=4 4535 B10R1.58 C[C@@H]1O[C@H](C[C@H]1O)C(O)=O Amb24599918 [0,1,0,1,0,0|2,0,0]=4 4536 B10R1.58 C[C@H](O)[C@H]1CC(O)C(=O)O1 Amb24592500 [0,1,0,1,0,0|2,0,0]=4 4537 B10R1.58 C[C@H](O)[C@H]1C[C@@H](O)C(=O)O1 Amb25256354 [0,1,0,1,0,0|2,0,0]=4 4538 B10R1.58 C[C@H]1CC(C[C@@H]1C)C(O)=O Amb24745797 [0,1,0,1,0,0|2,0,0]=4 4539 B10R1.58 C[C@H]1O[C@H](C[C@@H]1O)C(O)=O Amb25323977 [0,1,0,1,0,0|2,0,0]=4 4540 B10R1.58 NC1CC(OC1=O)C(O)=O Amb25147458 [0,1,0,1,0,0|2,0,0]=4 4541 B10R1.58 OC(=O)C1CC(F)C(=O)N1 Amb24696741 [0,1,0,1,0,0|2,0,0]=4 4542 B10R1.58 OC(=O)C1CC(O)C(=O)N1 Amb24505111 [0,1,0,1,0,0|2,0,0]=4 4543 B10R1.58 OC(=O)[C@@H]1CC(F)C(=O)N1 Amb25360897 [0,1,0,1,0,0|2,0,0]=4 4544 B10R1.58 OC(=O)[C@H]1C[C@@H](F)C(=O)N1 Amb25259244 [0,1,0,1,0,0|2,0,0]=4 4545 B10R1.58 OC(=O)[C@H]1NC(=O)[C@@H](C1)F Amb10839466 [0,1,0,1,0,0|2,0,0]=4 4546 B10R1.58 OC(=O)[C@H]1NC(=O)[C@H](C1)F Amb10838332 [0,1,0,1,0,0|2,0,0]=4 4547 B10R1.80 CC1C(CC(C)O)OC1=O Amb24645891 [0,1,0,1,0,0|2,0,0]=4 4548 B10R1.147 CC1(C)CC[C@H](O)C(=O)O1 Amb25694370 [0,1,0,1,0,0|2,0,0]=4 4549 B10R1.190 C=C1CC1CC(N)C(O)=O Amb22730075 [0,1,0,1,0,0|1,0,0]=3 4550 B10R1.190 C=C1CC1CC(N)C(O)=O Amb24117524 [0,1,0,1,0,0|1,0,0]=3 4551 B10R1.190 C=C1CC1C[C@@H](N)C(O)=O Amb24640688 [0,1,0,1,0,0|1,0,0]=3 4552 B10R1.190 C=C1CC1C[C@H](N)C(O)=O Amb25235396 [0,1,0,1,0,0|1,0,0]=3 4553 B10R1.190 C=C1C[C@H]1C[C@H](N)C(O)=O Amb24597968 [0,1,0,1,0,0|1,0,0]=3 4554 B10R1.190 CC(NC1CC1C)C(O)=O Amb25040323 [0,1,0,1,0,0|2,0,0]=4 4555 B10R1.190 CC1CC1CC(N)C(O)=O Amb25147396 [0,1,0,1,0,0|1,0,0]=3 4556 B10R1.190 CC1CC1C[C@H](N)C(O)=O Amb25305763 [0,1,0,1,0,0|1,0,0]=3 4557 B10R1.190 C[C@@H]1S[C@@H]1C[C@H](N)C(O)=O Amb25202932 [0,1,0,1,0,0|0,0,0]=2 4558 B10R1.190 NC(CC1CC1=O)C(O)=O Amb24477414 [0,1,0,1,0,0|1,0,0]=3 4559 B10R1.190 NC(CC1CC1N)C(O)=O Amb23571908 [0,1,0,1,0,0|1,0,0]=3 4560 B10R1.190 N[C@@H](C[C@@H]1C[C@H]1N)C(O)=O Amb25302205 [0,1,0,1,0,0|1,0,0]=3 4561 B10R1.190 N[C@@H](C[C@H]1C[C@@H]1N)C(O)=O Amb25245233 [0,1,0,1,0,0|1,0,0]=3 4562 B10R1.190 N[C@H](C(=O)O)C[C@H]1CC1=C Amb17615983 [0,1,0,1,0,0|1,0,0]=3 4563 B10R1.205 C[C@@H](NCC1CC1)C(O)=O Amb25118332 [0,1,0,1,0,0|2,0,0]=4 4564 B10R1.205 C[C@@H](OCC1CC1)C(O)=O Amb25282110 [0,1,0,1,0,0|2,0,0]=4 4565 B10R1.205 C[C@H](NCC1CC1)C(O)=O Amb24474543 [0,1,0,1,0,0|2,0,0]=4 4566 B10R1.205 C[C@H](OCC1CC1)C(O)=O Amb24384555 [0,1,0,1,0,0|2,0,0]=4 4567 B10R1.205 NC(CCC1CC1)C(N)=O Amb25284806 [0,1,0,1,0,0|2,0,0]=4 4568 B10R1.205 NC(CCC1CC1)C(O)=O Amb18831582 [0,1,0,1,0,0|1,0,0]=3 4569 B10R1.205 NC(CNC1CC1)C(N)=O Amb25214047 [0,1,0,1,0,0|2,0,0]=4 4570 B10R1.205 N[C@@H](CCC1CC1)C(O)=O Amb25236249 [0,1,0,1,0,0|1,0,0]=3 4571 B10R1.205 OC(CCC1CC1)C(O)=O Amb25187335 [0,1,0,1,0,0|2,0,0]=4 4572 B10R1.332 N[C@@H]1CC[C@H](O)CNC1=O Amb25204714 [0,1,0,1,0,0|2,0,0]=4 4573 B10R1.349 CC(=O)C1CC(C1)C(O)=O Amb25113879 [0,1,0,1,0,0|2,0,0]=4 4574 B10R1.349 CC(C)C1CC(C1)C(O)=O Amb22497608 [0,1,0,1,0,0|2,0,0]=4 4575 B10R1.349 CC(C)[C@@H]1C[C@@H](C1)C(O)=O Amb22748923 [0,1,0,1,0,0|2,0,0]=4 4576 B10R1.349 CC(C)[C@@H]1C[C@H](C1)C(O)=O Amb24409814 [0,1,0,1,0,0|2,0,0]=4 4577 B10R1.349 CN(C)[C@H]1C[C@H](C1)C(O)=O Amb25338254 [0,1,0,1,0,0|2,0,0]=4 4578 B10R1.359 CC1(C)CC(CC1)C(O)=O Amb18643933 [0,1,0,1,0,0|2,0,0]=4 4579 B10R1.359 CC1(C)CCC(N1)C(O)=O Amb22755806 [0,1,0,1,0,0|1,0,0]=3 4580 B10R1.359 CC1(C)CCC(O1)C(O)=O Amb23455423 [0,1,0,1,0,0|2,0,0]=4 4581 B10R1.359 CC1(C)CSC(N1)C(O)=O Amb25258404 [0,1,0,1,0,0|2,0,0]=4 4582 B10R1.359 CC1(C)NCC(N1)C(O)=O Amb25852540 [0,1,0,1,0,0|2,0,0]=4 4583 B10R1.359 CC1(C)NC[C@H](N1)C(O)=O Amb25047969 [0,1,0,1,0,0|2,0,0]=4 4584 B10R1.359 CC1(F)CC(CC1)C(O)=O Amb25740509 [0,1,0,1,0,0|2,0,0]=4 4585 B10R1.359 CC1(O)CC(CC1)C(O)=O Amb23454111 [0,1,0,1,0,0|2,0,0]=4 4586 B10R1.359 CC1(O)CCC(N1)C(O)=O Amb25840357 [0,1,0,1,0,0|1,0,0]=3 4587 B10R1.359 CP1(=O)CC[C@H](N1)C(O)=O Amb24651009 [0,1,0,1,0,0|1,0,0]=3 4588 B10R1.359 C[N+]1(C)CC(CC1)C(O)=O Amb24533109 [0,1,0,1,0,0|2,0,0]=4 4589 B10R1.359 OC(=O)C1CCC(N1)(C)C Amb17593611 [0,1,0,1,0,0|1,0,0]=3 4590 B10R1.359 OC(=O)C1CCS(=O)(=O)N1 Amb19888363 [0,1,0,1,0,0|1,0,1]=4 4591 B10R1.359 OC(=O)C1CSC(N1)(C)C Amb1155998 [0,1,0,1,0,0|2,0,0]=4 4592 B10R1.359 OC(=O)C1CSC(N1)(C)C Amb2371339 [0,1,0,1,0,0|2,0,0]=4 4593 B10R1.359 OC(=O)[C@H]1CSC(N1)(C)C Amb2404830 [0,1,0,1,0,0|2,0,0]=4 4594 B10R1.360 CC(C)C1CC1(F)C(O)=O Amb24356680 [0,1,0,1,0,0|2,0,0]=4 4595 B10R1.360 CC(C)C1CC1(N)C(O)=O Amb24477051 [0,1,0,1,0,0|1,0,0]=3 4596 B10R1.360 CC(C)C1CC1(O)C(O)=O Amb24480445 [0,1,0,1,0,0|2,0,0]=4 4597 B10R1.360 CC(C)[C@@H]1C[C@@]1(N)C(O)=O Amb23452874 [0,1,0,1,0,0|1,0,0]=3 4598 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(O)=O Amb23452873 [0,1,0,1,0,0|1,0,0]=3 4599 B10R1.360 CC(O)C1CC1(N)C(O)=O Amb24477052 [0,1,0,1,0,0|1,0,0]=3 4600 B10R1.360 C[C@H](O)[C@@H]1C[C@]1(N)C(O)=O Amb24561781 [0,1,0,1,0,0|1,0,0]=3 4601 B10R1.360 NC1(CC1C(O)=O)C(O)=O Amb25124900 [0,1,0,1,0,0|2,0,0]=4 4602 B10R1.360 N[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb23452842 [0,1,0,1,0,0|2,0,0]=4 4603 B10R1.360 N[C@@]1(C[C@H]1C(O)=O)C(O)=O Amb23452828 [0,1,0,1,0,0|2,0,0]=4 4604 B10R1.360 N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24515142 [0,1,0,1,0,0|2,0,0]=4 4605 B10R1.365 CC1(C)CCC1(N)C(N)=O Amb24645016 [0,1,0,1,0,0|2,0,0]=4 4606 B10R1.365 CC1(C)CCC1(O)C(O)=O Amb24544085 [0,1,0,1,0,0|2,0,0]=4 4607 B10R1.368 CC(=C)C[C@H]1C[C@@H]1C(O)=O Amb25378774 [0,1,0,1,0,0|2,0,0]=4 4608 B10R1.368 CC(C)CC1CC1C(O)=O Amb18297987 [0,1,0,1,0,0|2,0,0]=4 4609 B10R1.470 CC1(CC(=O)CC1)C(O)=O Amb23454199 [0,1,0,1,0,0|2,0,0]=4 4610 B10R1.470 CC1(CC(N)CC1)C(O)=O Amb23454122 [0,1,0,1,0,0|2,0,0]=4 4611 B10R1.470 CC1(CC(O)CC1)C(O)=O Amb23454235 [0,1,0,1,0,0|2,0,0]=4 4612 B10R1.470 CC1(CC=C(N1)C)C(=O)O Amb17593567 [0,1,0,1,0,0|1,0,1]=4 4613 B10R1.470 CC1(CCC(=C)C1)C(O)=O Amb25789474 [0,1,0,1,0,0|2,0,0]=4 4614 B10R1.470 CC1(CCC(=O)N1)C(O)=O Amb23515108 [0,1,0,1,0,0|2,0,0]=4 4615 B10R1.470 CC1(CCC(O)N1)C(O)=O Amb25123888 [0,1,0,1,0,0|2,0,0]=4 4616 B10R1.470 CC1(CCC(O1)C)C(=O)O Amb17593620 [0,1,0,1,0,0|2,0,0]=4 4617 B10R1.470 CC1(CSS(=O)C1)C(O)=O Amb24482238 [0,1,0,1,0,0|2,0,0]=4 4618 B10R1.470 CC1CC(N)(CC1)C(N)=O Amb24334951 [0,1,0,1,0,0|2,0,0]=4 4619 B10R1.470 CC1CC(N)(CN1)C(O)=O Amb25291117 [0,1,0,1,0,0|1,0,0]=3 4620 B10R1.470 CC1CC(N)(CS1)C(O)=O Amb24436009 [0,1,0,1,0,0|0,0,0]=2 4621 B10R1.470 CC1CC(O)(CS1)C(N)=O Amb25737325 [0,1,0,1,0,0|2,0,0]=4 4622 B10R1.470 CC=1CCC(C)(C1)C(O)=O Amb18643549 [0,1,0,1,0,0|2,0,0]=4 4623 B10R1.470 CC=1CCC(C)(N1)C(O)=O Amb24513863 [0,1,0,1,0,0|1,0,1]=4 4624 B10R1.470 CN1CC(N)(CC1)C(N)=O Amb18280859 [0,1,0,1,0,0|2,0,0]=4 4625 B10R1.470 CN1CC(N)(CC1)C(O)=O Amb18280237 [0,1,0,1,0,0|1,0,0]=3 4626 B10R1.470 CN1CC(O)(CC1)C(O)=O Amb18279342 [0,1,0,1,0,0|2,0,0]=4 4627 B10R1.470 C[C@@H]1CC(O)(CC1)C(O)=O Amb24480707 [0,1,0,1,0,0|2,0,0]=4 4628 B10R1.470 C[C@@H]1C[C@@](N)(CS1)C(O)=O Amb24612036 [0,1,0,1,0,0|0,0,0]=2 4629 B10R1.470 C[C@H]1C[C@@](N)(CC1)C(O)=O Amb24373352 [0,1,0,1,0,0|1,0,0]=3 4630 B10R1.470 C[C@H]1C[C@](N)(CC1)C(O)=O Amb24515052 [0,1,0,1,0,0|1,0,0]=3 4631 B10R1.470 C[C@]1(CC(=O)CC1)C(O)=O Amb25693811 [0,1,0,1,0,0|2,0,0]=4 4632 B10R1.470 NC1CC(F)(CC1)C(O)=O Amb24352012 [0,1,0,1,0,0|2,0,0]=4 4633 B10R1.470 NC1CC(O)(CC1)C(O)=O Amb18124716 [0,1,0,1,0,0|2,0,0]=4 4634 B10R1.470 OC1CC(O)(CC1)C(O)=O Amb25213061 [0,1,0,1,0,0|2,0,0]=4 4635 B10R1.470 O[C@@H]1CC[C@@](C1)(N)C(=O)O Amb10066916 [0,1,0,1,0,0|1,0,0]=3 4636 B10R1.470 O[C@H]1CC[C@](C1)(N)C(=O)O Amb10066913 [0,1,0,1,0,0|1,0,0]=3 4637 B10R1.7 N[C@H]1CCCCCNC1=O Amb24561675 [0,1,0,1,0,0|2,0,0]=4 4638 B10R1.14 CC1CCC(N1)C(=O)OC Amb23440861 [0,1,0,1,0,0|1,0,0]=3 4639 B10R1.14 CC1CCC([NH2+]1)C(=O)OC Amb23440874 [0,1,0,1,0,0|1,0,1]=4 4640 B10R1.14 CC1CC[C@H](N1)C(=O)OC Amb25843220 [0,1,0,1,0,0|1,0,0]=3 4641 B10R1.14 CC1NC(CS1)C(=O)OC Amb24598201 [0,1,0,1,0,0|2,0,0]=4 4642 B10R1.14 CC1N[C@@H](CS1)C(=O)OC Amb24428971 [0,1,0,1,0,0|2,0,0]=4 4643 B10R1.14 CC=1CCC(C1)C(=O)OC Amb24527976 [0,1,0,1,0,0|2,0,0]=4 4644 B10R1.14 COC(=O)C1CCC(C)O1 Amb17939078 [0,1,0,1,0,0|2,0,0]=4 4645 B10R1.14 COC(=O)[C@@H]1CCC(=S)N1 Amb24066743 [0,1,0,1,0,0|2,0,0]=4 4646 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)N1 Amb25247552 [0,1,0,1,0,0|2,0,0]=4 4647 B10R1.14 COC(=O)[C@H]1CC[C@H](F)N1 Amb25174995 [0,1,0,1,0,0|2,0,0]=4 4648 B10R1.14 COC(=O)[C@H]1CN(C)CC1 Amb24334710 [0,1,0,1,0,0|2,0,0]=4 4649 B10R1.14 C[C@@H]1CC[C@@H](O1)C(=O)OC Amb24630211 [0,1,0,1,0,0|2,0,0]=4 4650 B10R1.14 C[C@@H]1N[C@H](CS1)C(=O)OC Amb24728282 [0,1,0,1,0,0|2,0,0]=4 4651 B10R1.14 C[C@H]1CC[C@H](C1)C(=O)OC Amb24578320 [0,1,0,1,0,0|2,0,0]=4 4652 B10R1.14 C[C@H]1CC[C@H](O1)C(=O)OC Amb25366304 [0,1,0,1,0,0|2,0,0]=4 4653 B10R1.14 C[C@H]1N[C@@H](CS1)C(=O)OC Amb24558327 [0,1,0,1,0,0|2,0,0]=4 4654 B10R1.14 ONC(=O)C1CCC(=O)N1 Amb24377086 [0,1,0,1,0,0|2,0,0]=4 4655 B10R1.15 CCC(=O)C1CCCCN1 Amb19373844 [0,1,0,1,0,0|2,0,0]=4 4656 B10R1.15 CCC(=O)C1CCCCN1 Amb23536940 [0,1,0,1,0,0|2,0,0]=4 4657 B10R1.15 CCC(=O)C1CCSCC1 Amb25146881 [0,1,0,1,0,0|2,0,0]=4 4658 B10R1.15 CNC(=O)C1CCCCN1 Amb15740884 [0,1,0,1,0,0|2,0,0]=4 4659 B10R1.15 COC(=O)C1CC=CCN1 Amb25147577 [0,1,0,1,0,0|1,0,1]=4 4660 B10R1.15 COC(=O)C1CCC=NN1 Amb24062282 [0,1,0,1,0,0|2,0,0]=4 4661 B10R1.15 COC(=O)C1CCCCN1 Amb1156676 [0,1,0,1,0,0|1,0,0]=3 4662 B10R1.15 COC(=O)C1CCCCN1 Amb2371538 [0,1,0,1,0,0|1,0,0]=3 4663 B10R1.15 COC(=O)C1CCCCO1 Amb17935766 [0,1,0,1,0,0|2,0,0]=4 4664 B10R1.15 COC(=O)C1CCCCS1 Amb23568621 [0,1,0,1,0,0|2,0,0]=4 4665 B10R1.15 COC(=O)C1CCCNN1 Amb24062288 [0,1,0,1,0,0|2,0,0]=4 4666 B10R1.15 COC(=O)N1CCCCN1 Amb24059998 [0,1,0,1,0,0|2,0,0]=4 4667 B10R1.15 COC(=O)[C@@H]1CCC=NN1 Amb25073189 [0,1,0,1,0,0|2,0,0]=4 4668 B10R1.15 COC(=O)[C@@H]1CNCCN1 Amb15690749 [0,1,0,1,0,0|2,0,0]=4 4669 B10R1.15 COC(=O)[C@@H]1CNCCN1 Amb22737176 [0,1,0,1,0,0|2,0,0]=4 4670 B10R1.15 COC(=O)[C@@H]1COCCN1 Amb10066914 [0,1,0,1,0,0|2,0,0]=4 4671 B10R1.15 COC(=O)[C@@H]1CSCCN1 Amb24182066 [0,1,0,1,0,0|2,0,0]=4 4672 B10R1.15 COC(=O)[C@@H]1NCCNC1 Amb15690748 [0,1,0,1,0,0|2,0,0]=4 4673 B10R1.15 COC(=O)[C@H]1CCCCN1 Amb10604194 [0,1,0,1,0,0|1,0,0]=3 4674 B10R1.15 COC(=O)[C@H]1CCCCO1 Amb25113469 [0,1,0,1,0,0|2,0,0]=4 4675 B10R1.15 COC(=O)[C@H]1CNCCN1 Amb22284323 [0,1,0,1,0,0|2,0,0]=4 4676 B10R1.15 COC(=O)[C@H]1CSCCN1 Amb25032615 [0,1,0,1,0,0|2,0,0]=4 4677 B10R1.15 NNC(=O)C1CCCCN1 Amb25082270 [0,1,0,1,0,0|2,0,0]=4 4678 B10R1.15 NNC(=O)[C@@H]1CCCCN1 Amb25704312 [0,1,0,1,0,0|2,0,0]=4 4679 B10R1.15 NOC(=O)C1CCOCC1 Amb16233776 [0,1,0,1,0,0|1,1,0]=4 4680 B10R1.15 OCC(=O)C1CCCCC1 Amb18063314 [0,1,0,1,0,0|2,0,0]=4 4681 B10R1.15 OCC(=O)C1CCCCN1 Amb25316399 [0,1,0,1,0,0|1,0,0]=3 4682 B10R1.15 OCC(=O)C1CCCCO1 Amb25146615 [0,1,0,1,0,0|2,0,0]=4 4683 B10R1.15 OCC(=O)N1CCCCN1 Amb24524436 [0,1,0,1,0,0|2,0,0]=4 4684 B10R1.15 ONC(=O)C1CCCCN1 Amb25835918 [0,1,0,1,0,0|1,0,0]=3 4685 B10R1.15 ONC(=O)C1CCCCO1 Amb24478073 [0,1,0,1,0,0|2,0,0]=4 4686 B10R1.15 ONC(=O)C1CCCCS1 Amb25822478 [0,1,0,1,0,0|2,0,0]=4 4687 B10R1.15 ONC(=O)C1CCNCC1 Amb24711017 [0,1,0,1,0,0|2,0,0]=4 4688 B10R1.15 ONC(=O)C1CCSCC1 Amb24397548 [0,1,0,1,0,0|1,0,0]=3 4689 B10R1.15 ONC(=O)C1COCCN1 Amb25055141 [0,1,0,1,0,0|2,0,0]=4 4690 B10R1.15 ONC(=O)C1CSCCN1 Amb24479440 [0,1,0,1,0,0|2,0,0]=4 4691 B10R1.15 ONC(=O)[C@@H]1CCCCN1 Amb25070719 [0,1,0,1,0,0|1,0,0]=3 4692 B10R1.29 CCCCC1N=COC1=O Amb24518667 [0,1,0,1,0,0|1,0,1]=4 4693 B10R1.29 CNCCC1C=NOC1=O Amb24741993 [0,1,0,1,0,0|1,0,1]=4 4694 B10R1.29 COCCC1CCOC1=O Amb23538244 [0,1,0,1,0,0|1,1,0]=4 4695 B10R1.29 CSCCC1CCNC1=O Amb24525426 [0,1,0,1,0,0|2,0,0]=4 4696 B10R1.29 CSCCC1N=COC1=O Amb24757013 [0,1,0,1,0,0|0,0,1]=3 4697 B10R1.29 CSCCN1CNCC1=O Amb24479456 [0,1,0,1,0,0|2,0,0]=4 4698 B10R1.29 CSCC[C@@H]1NCCC1=O Amb18830317 [0,1,0,1,0,0|1,0,0]=3 4699 B10R1.29 CSCC[C@@H]1NCCC1O Amb18198742 [0,1,0,1,0,0|1,0,1]=4 4700 B10R1.35 CCC1CC(CO)C(=O)O1 Amb24481296 [0,1,0,1,0,0|2,0,0]=4 4701 B10R1.99 CCCC1CC1C(=O)NO Amb24371074 [0,1,0,1,0,0|2,0,0]=4 4702 B10R1.99 CCC[C@@H]1C[C@@H]1C(=O)OC Amb24694330 [0,1,0,1,0,0|2,0,0]=4 4703 B10R1.99 CCC[C@@H]1C[C@H]1C(=O)NO Amb25802666 [0,1,0,1,0,0|2,0,0]=4 4704 B10R1.99 CCC[C@H]1C[C@H]1C(=O)OC Amb25347808 [0,1,0,1,0,0|2,0,0]=4 4705 B10R1.99 COC(=O)C1OC1CCC Amb25275181 [0,1,0,1,0,0|2,0,0]=4 4706 B10R1.99 COC(=O)[C@H]1O[C@H]1CCC Amb24515012 [0,1,0,1,0,0|2,0,0]=4 4707 B10R1.119 CC1CCC(C)C(O)C1=O Amb25717677 [0,1,0,1,0,0|2,0,0]=4 4708 B10R1.159 CC[C@@H]1C[C@@]1(N)C(=O)OC Amb23452881 [0,1,0,1,0,0|1,0,0]=3 4709 B10R1.159 CC[C@@H]1C[C@]1(N)C(=O)OC Amb23452885 [0,1,0,1,0,0|1,0,0]=3 4710 B10R1.159 COC(=O)C1(N)CC1C#C Amb23456095 [0,1,0,1,0,0|1,0,1]=4 4711 B10R1.159 COC(=O)C1(N)CC1C=C Amb10601397 [0,1,0,1,0,0|1,0,1]=4 4712 B10R1.159 COC(=O)C1(N)CC1C=C Amb25314372 [0,1,0,1,0,0|1,0,1]=4 4713 B10R1.159 COC(=O)C1(N)CC1CO Amb24419636 [0,1,0,1,0,0|2,0,0]=4 4714 B10R1.159 COC(=O)[C@@]1(N)C[C@@H]1C=C Amb24532385 [0,1,0,1,0,0|1,0,1]=4 4715 B10R1.159 COC(=O)[C@@]1(N)C[C@H]1C=C Amb22756636 [0,1,0,1,0,0|1,0,1]=4 4716 B10R1.159 COC(=O)[C@@]1(N)C[C@H]1C=C Amb24641397 [0,1,0,1,0,0|1,0,1]=4 4717 B10R1.159 COC(=O)[C@]1(N)C[C@H]1CO Amb24514805 [0,1,0,1,0,0|2,0,0]=4 4718 B10R1.169 CCC1CC(C1)C(=O)OC Amb23537800 [0,1,0,1,0,0|2,0,0]=4 4719 B10R1.169 COC(=O)C1CC(C1)OC Amb24643668 [0,1,0,1,0,0|1,1,0]=4 4720 B10R1.169 COC(=O)C1CC(C1)SC Amb24403832 [0,1,0,1,0,0|1,0,0]=3 4721 B10R1.169 COC(=O)[C@H]1C[C@H](C1)SC Amb24732177 [0,1,0,1,0,0|1,0,0]=3 4722 B10R1.176 CC1CC[C@H](CO)OC1=O Amb24466202 [0,1,0,1,0,0|2,0,0]=4 4723 B10R1.176 CCC1CCC(=O)C(N)C1 Amb18279405 [0,1,0,1,0,0|2,0,0]=4 4724 B10R1.176 CSC1NC(=O)C(I)CN1 Amb25778158 [0,1,0,1,0,0|2,0,0]=4 4725 B10R1.182 CC(C1CNC1)C(=O)NO Amb24453710 [0,1,0,1,0,0|2,0,0]=4 4726 B10R1.182 CNC(=O)C(N)C1CCC1 Amb24566381 [0,1,0,1,0,0|2,0,0]=4 4727 B10R1.182 CNC(=O)[C@@H](N)C1COC1 Amb25139776 [0,1,0,1,0,0|1,1,0]=4 4728 B10R1.182 COC(=O)C(N)C1COC1 Amb17933898 [0,1,0,1,0,0|0,1,0]=3 4729 B10R1.182 COC(=O)C(N)C1COC1 Amb22491917 [0,1,0,1,0,0|0,1,0]=3 4730 B10R1.182 COC(=O)C(N)C1COC1 Amb23440113 [0,1,0,1,0,0|0,1,0]=3 4731 B10R1.182 COC(=O)[C@@H](N)C1COC1 Amb22746885 [0,1,0,1,0,0|0,1,0]=3 4732 B10R1.182 COC(=O)[C@H](N)C1COC1 Amb24697637 [0,1,0,1,0,0|0,1,0]=3 4733 B10R1.184 CNC(=O)[C@@H](N)CC1CC1 Amb25065032 [0,1,0,1,0,0|2,0,0]=4 4734 B10R1.184 COC(=O)C(O)CC1CC1 Amb25074187 [0,1,0,1,0,0|2,0,0]=4 4735 B10R1.184 COC(=O)[C@@H](N)CC1CO1 Amb24470836 [0,1,0,1,0,0|0,1,0]=3 4736 B10R1.184 COC(=O)[C@@H](O)CC1CC1 Amb23401513 [0,1,0,1,0,0|2,0,0]=4 4737 B10R1.184 COC(=O)[C@H](O)CC1CC1 Amb24479465 [0,1,0,1,0,0|2,0,0]=4 4738 B10R1.184 NC(CC1CC1)C(=O)NN Amb25721804 [0,1,0,1,0,0|2,0,0]=4 4739 B10R1.184 N[C@@H](CC1CC1)C(=O)NN Amb24703214 [0,1,0,1,0,0|2,0,0]=4 4740 B10R1.217 CCCC[C@@H]1NC(=O)[C@@H]1O Amb25367857 [0,1,0,1,0,0|1,0,1]=4 4741 B10R1.217 CCCC[C@H]1NC(=O)[C@@H]1O Amb24517360 [0,1,0,1,0,0|1,0,1]=4 4742 B10R1.411 C#CC(=O)C1(N)CCCC1 Amb25340164 [0,1,0,1,0,0|2,0,0]=4 4743 B10R1.411 C#CC(=O)C1(N)COCC1 Amb25844994 [0,1,0,1,0,0|1,1,0]=4 4744 B10R1.411 CCC(=O)C1(N)CCCC1 Amb18831688 [0,1,0,1,0,0|2,0,0]=4 4745 B10R1.411 CCC(=O)C1(N)COCC1 Amb24453594 [0,1,0,1,0,0|1,1,0]=4 4746 B10R1.411 CNC(=O)C1(N)CCCC1 Amb13952411 [0,1,0,1,0,0|2,0,0]=4 4747 B10R1.411 CNC(=O)C1(N)CCCC1 Amb25773545 [0,1,0,1,0,0|2,0,0]=4 4748 B10R1.411 CNC(=O)C1(O)CSCC1 Amb24674813 [0,1,0,1,0,0|2,0,0]=4 4749 B10R1.411 COC(=O)C1(Br)COCC1 Amb25246533 [0,1,0,1,0,0|1,1,0]=4 4750 B10R1.411 COC(=O)C1(C)CCCC1 Amb19737282 [0,1,0,1,0,0|2,0,0]=4 4751 B10R1.411 COC(=O)C1(C)CNCC1 Amb20634440 [0,1,0,1,0,0|2,0,0]=4 4752 B10R1.411 COC(=O)C1(F)CCCC1 Amb24387644 [0,1,0,1,0,0|2,0,0]=4 4753 B10R1.411 COC(=O)C1(F)CNCC1 Amb20623411 [0,1,0,1,0,0|2,0,0]=4 4754 B10R1.411 COC(=O)C1(F)CNCC1 Amb22504333 [0,1,0,1,0,0|2,0,0]=4 4755 B10R1.411 COC(=O)C1(N)CC=CC1 Amb24618429 [0,1,0,1,0,0|1,0,1]=4 4756 B10R1.411 COC(=O)C1(N)COCC1 Amb20667782 [0,1,0,1,0,0|0,1,0]=3 4757 B10R1.411 COC(=O)C1(N)COCC1 Amb24550968 [0,1,0,1,0,0|0,1,0]=3 4758 B10R1.411 COC(=O)C1(N)CSCC1 Amb18281131 [0,1,0,1,0,0|0,0,0]=2 4759 B10R1.411 COC(=O)C1(N)CSSC1 Amb25199147 [0,1,0,1,0,0|1,0,0]=3 4760 B10R1.411 COC(=O)C1(O)CCCC1 Amb24116814 [0,1,0,1,0,0|2,0,0]=4 4761 B10R1.411 COC(=O)C1(O)CNCC1 Amb23515114 [0,1,0,1,0,0|2,0,0]=4 4762 B10R1.411 COC(=O)C1(O)COCC1 Amb20668950 [0,1,0,1,0,0|1,1,0]=4 4763 B10R1.411 COC(=O)C1(O)CSCC1 Amb18183491 [0,1,0,1,0,0|1,0,0]=3 4764 B10R1.411 COC(=O)[C@]1(N)CCC=C1 Amb25141874 [0,1,0,1,0,0|1,0,1]=4 4765 B10R1.411 COC(=O)[C@]1(N)CNCC1 Amb24606730 [0,1,0,1,0,0|1,0,0]=3 4766 B10R1.411 NC(=NO)C1(N)CCCC1 Amb25760385 [0,1,0,1,0,0|2,0,0]=4 4767 B10R1.411 NNC(=O)C1(N)CCCC1 Amb25146439 [0,1,0,1,0,0|2,0,0]=4 4768 B10R1.411 OCC(=O)C1(O)CCCC1 Amb24422495 [0,1,0,1,0,0|2,0,0]=4 4769 B10R1.411 ONC(=O)C1(F)COCC1 Amb24370991 [0,1,0,1,0,0|1,1,0]=4 4770 B10R1.420 COC(=O)C1(N)CCC1C Amb23456085 [0,1,0,1,0,0|1,0,0]=3 4771 B10R1.420 COC(=O)C1(O)CCC1C Amb25800772 [0,1,0,1,0,0|2,0,0]=4 4772 B10R1.420 COC(=O)[C@@]1(N)CC[C@@H]1C Amb24531462 [0,1,0,1,0,0|1,0,0]=3 4773 B10R1.25 CC1CCC(CN)C(=O)N1 Amb23590134 [0,1,0,1,0,0|2,0,0]=4 4774 B10R1.31 C=CC1CCC(N1)C(O)=O Amb24477091 [0,1,0,1,0,0|1,0,1]=4 4775 B10R1.31 CCC1CC(CN1)C(N)=O Amb25178694 [0,1,0,1,0,0|2,0,0]=4 4776 B10R1.31 CCC1CC(CO1)C(O)=O Amb25127111 [0,1,0,1,0,0|2,0,0]=4 4777 B10R1.31 CCC1CC(NC1)C(O)=O Amb22496300 [0,1,0,1,0,0|1,0,0]=3 4778 B10R1.31 CCC1CCC(N1)C(N)=O Amb18643962 [0,1,0,1,0,0|2,0,0]=4 4779 B10R1.31 CCC1CCC(N1)C(O)=O Amb24694112 [0,1,0,1,0,0|1,0,0]=3 4780 B10R1.31 CCC1CCC(O1)C(O)=O Amb20668759 [0,1,0,1,0,0|2,0,0]=4 4781 B10R1.31 CCC1CC[C@H](N1)C(O)=O Amb24376251 [0,1,0,1,0,0|1,0,0]=3 4782 B10R1.31 CCC1C[C@H](NC1)C(N)=O Amb25095764 [0,1,0,1,0,0|2,0,0]=4 4783 B10R1.31 CCC1N[C@@H](CS1)C(O)=O Amb18792350 [0,1,0,1,0,0|1,0,0]=3 4784 B10R1.31 CCC=1CCC(N1)C(O)=O Amb23560251 [0,1,0,1,0,0|1,0,1]=4 4785 B10R1.31 CCN1CCC(C1)C(=O)O Amb10607746 [0,1,0,1,0,0|2,0,0]=4 4786 B10R1.31 CCN1C[C@@H](CC1)C(O)=O Amb24733745 [0,1,0,1,0,0|2,0,0]=4 4787 B10R1.31 CC[C@@H]1C[C@H](NC1)C(O)=O Amb24629222 [0,1,0,1,0,0|1,0,0]=3 4788 B10R1.31 CC[C@@H]1N[C@@H](CS1)C(O)=O Amb25176269 [0,1,0,1,0,0|1,0,0]=3 4789 B10R1.31 CC[C@H]1CC[C@H](N1)C(N)=O Amb24700371 [0,1,0,1,0,0|2,0,0]=4 4790 B10R1.31 CC[C@H]1N[C@@H](CS1)C(O)=O Amb24760726 [0,1,0,1,0,0|1,0,0]=3 4791 B10R1.31 CNC1CC(CC1)C(O)=O Amb23454119 [0,1,0,1,0,0|2,0,0]=4 4792 B10R1.31 CNC1CNC(C1)C(O)=O Amb24449826 [0,1,0,1,0,0|1,0,0]=3 4793 B10R1.31 CN[C@@H]1CN[C@H](C1)C(O)=O Amb24514864 [0,1,0,1,0,0|1,0,0]=3 4794 B10R1.31 COC1CC(C=C1)C(O)=O Amb18643833 [0,1,0,1,0,0|1,1,0]=4 4795 B10R1.31 COC1CC(CC1)C(O)=O Amb24399167 [0,1,0,1,0,0|1,1,0]=4 4796 B10R1.31 COC1CNC(C1)C(N)=O Amb18951799 [0,1,0,1,0,0|1,1,0]=4 4797 B10R1.31 COC1CNC(C1)C(O)=O Amb18124718 [0,1,0,1,0,0|0,1,0]=3 4798 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(O)=O Amb24514992 [0,1,0,1,0,0|0,1,0]=3 4799 B10R1.31 CO[C@@H]1CN[C@H](C1)C(O)=O Amb24112984 [0,1,0,1,0,0|0,1,0]=3 4800 B10R1.31 CO[C@H]1CN[C@H](C1)C(O)=O Amb25231723 [0,1,0,1,0,0|0,1,0]=3 4801 B10R1.31 N#CC1CCC(N1)C(O)=O Amb25342936 [0,1,0,1,0,0|1,0,1]=4 4802 B10R1.31 N#C[C@@H]1CN[C@@H](C1)C(=O)O Amb10603138 [0,1,0,1,0,0|2,0,0]=4 4803 B10R1.31 N#C[C@@H]1CN[C@H](C1)C(O)=O Amb22745851 [0,1,0,1,0,0|2,0,0]=4 4804 B10R1.31 N#C[C@H]1CN[C@@H](C1)C(=O)O Amb10603133 [0,1,0,1,0,0|2,0,0]=4 4805 B10R1.31 NC[C@@H]1CC[C@@H](C1)C(=O)O Amb10066951 [0,1,0,1,0,0|2,0,0]=4 4806 B10R1.31 NC[C@@H]1CC[C@H](C1)C(=O)O Amb10066932 [0,1,0,1,0,0|2,0,0]=4 4807 B10R1.31 NC[C@@H]1C[C@H](NC1)C(O)=O Amb24117205 [0,1,0,1,0,0|2,0,0]=4 4808 B10R1.31 NC[C@H]1CC[C@@H](C1)C(=O)O Amb10066933 [0,1,0,1,0,0|2,0,0]=4 4809 B10R1.31 NC[C@H]1CC[C@H](C1)C(=O)O Amb10066930 [0,1,0,1,0,0|2,0,0]=4 4810 B10R1.31 NC[C@H]1C[C@H](NC1)C(O)=O Amb24117206 [0,1,0,1,0,0|2,0,0]=4 4811 B10R1.31 NOC1CNC(C1)C(O)=O Amb24356547 [0,1,0,1,0,0|1,1,0]=4 4812 B10R1.31 NO[C@@H]1CN[C@@H](C1)C(O)=O Amb25188204 [0,1,0,1,0,0|1,1,0]=4 4813 B10R1.31 OC(=O)C1CC(CCl)NN1 Amb24542379 [0,1,0,1,0,0|2,0,0]=4 4814 B10R1.31 OC(=O)C1CCC(CS)O1 Amb18285066 [0,1,0,1,0,0|2,0,0]=4 4815 B10R1.31 OC(=O)C1CCC(CS)S1 Amb25689446 [0,1,0,1,0,0|2,0,0]=4 4816 B10R1.31 OC(=O)[C@H]1C[C@H](CCl)NN1 Amb24605620 [0,1,0,1,0,0|2,0,0]=4 4817 B10R1.31 OCC1CC(CC1)C(O)=O Amb25697003 [0,1,0,1,0,0|2,0,0]=4 4818 B10R1.31 OCC1CC(NC1)C(O)=O Amb25685963 [0,1,0,1,0,0|2,0,0]=4 4819 B10R1.31 OCC1CCC(N1)C(O)=O Amb24502434 [0,1,0,1,0,0|1,0,0]=3 4820 B10R1.31 OCC1CCC(O1)C(O)=O Amb18285041 [0,1,0,1,0,0|2,0,0]=4 4821 B10R1.31 OCC1N[C@@H](CS1)C(O)=O Amb24594995 [0,1,0,1,0,0|2,0,0]=4 4822 B10R1.31 OC[C@@H]1CC[C@@H](N1)C(O)=O Amb25328970 [0,1,0,1,0,0|1,0,0]=3 4823 B10R1.31 OC[C@@H]1C[C@H](NC1)C(O)=O Amb24514873 [0,1,0,1,0,0|2,0,0]=4 4824 B10R1.31 OC[C@H]1CC[C@H](N1)C(O)=O Amb25213618 [0,1,0,1,0,0|1,0,0]=3 4825 B10R1.31 OC[C@H]1C[C@@H](CC1)C(O)=O Amb24514835 [0,1,0,1,0,0|2,0,0]=4 4826 B10R1.31 OC[C@H]1C[C@H](NC1)C(O)=O Amb25304927 [0,1,0,1,0,0|2,0,0]=4 4827 B10R1.160 CCC1CC1(SC)C(O)=O Amb25276918 [0,1,0,1,0,0|2,0,0]=4 4828 B10R1.160 NCC1(CC1CO)C(O)=O Amb25228881 [0,1,0,1,0,0|2,0,0]=4 4829 B10R1.194 C=C1CCC(C1N)C(O)=O Amb25690409 [0,1,0,1,0,0|1,0,1]=4 4830 B10R1.194 CC1CCC(C(O)=O)N1C Amb25141608 [0,1,0,1,0,0|1,0,0]=3 4831 B10R1.194 CC1CCC(C1N)C(O)=O Amb20623936 [0,1,0,1,0,0|1,0,0]=3 4832 B10R1.194 CC1SCC(C1N)C(O)=O Amb24741225 [0,1,0,1,0,0|2,0,0]=4 4833 B10R1.194 CN1C(CCC1=O)C(O)=O Amb18279438 [0,1,0,1,0,0|2,0,0]=4 4834 B10R1.194 CN1C(CCC1O)C(O)=O Amb24669369 [0,1,0,1,0,0|2,0,0]=4 4835 B10R1.194 CN1CCC(C(O)=O)C1=O Amb22001693 [0,1,0,1,0,0|2,0,0]=4 4836 B10R1.194 CN1[C@@H](CCC1=N)C(O)=O Amb24529279 [0,1,0,1,0,0|2,0,0]=4 4837 B10R1.194 CN1[C@@H](CCC1=O)C(O)=O Amb22756511 [0,1,0,1,0,0|2,0,0]=4 4838 B10R1.194 CN1[C@H](CCC1=O)C(O)=O Amb24480932 [0,1,0,1,0,0|2,0,0]=4 4839 B10R1.194 C[C@@H]1CC[C@@H](C(O)=O)N1C Amb24715908 [0,1,0,1,0,0|1,0,0]=3 4840 B10R1.194 C[C@@H]1CC[C@@H]([C@H]1C)C(O)=O Amb24562854 [0,1,0,1,0,0|2,0,0]=4 4841 B10R1.194 C[C@@H]1CC[C@@H]([C@H]1N)C(O)=O Amb24618144 [0,1,0,1,0,0|1,0,0]=3 4842 B10R1.194 C[C@@H]1CC[C@H](C(O)=O)N1C Amb24667763 [0,1,0,1,0,0|1,0,0]=3 4843 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(O)=O Amb24545060 [0,1,0,1,0,0|2,0,0]=4 4844 B10R1.194 C[C@@H]1[C@H](CCN1C)C(O)=O Amb18202481 [0,1,0,1,0,0|2,0,0]=4 4845 B10R1.194 C[C@H]1CC[C@@H](C(O)=O)N1C Amb24715909 [0,1,0,1,0,0|1,0,0]=3 4846 B10R1.194 C[C@H]1CC[C@H](C(O)=O)N1C Amb24539499 [0,1,0,1,0,0|1,0,0]=3 4847 B10R1.194 C[C@H]1CC[C@H]([C@H]1C)C(O)=O Amb25260395 [0,1,0,1,0,0|2,0,0]=4 4848 B10R1.194 C[C@H]1[C@H](CCN1C)C(O)=O Amb25227695 [0,1,0,1,0,0|2,0,0]=4 4849 B10R1.194 OC(=O)[C@@H]1CCC(=O)N1Cl Amb24078370 [0,1,0,1,0,0|2,0,0]=4 4850 B10R1.219 CCC(C1CCC1)C(O)=O Amb23590271 [0,1,0,1,0,0|2,0,0]=4 4851 B10R1.219 COC(C1CCC1)C(O)=O Amb25027993 [0,1,0,1,0,0|2,0,0]=4 4852 B10R1.219 N#CC(C1CCC1)C(O)=O Amb25797949 [0,1,0,1,0,0|1,0,1]=4 4853 B10R1.219 OCC(C1COC1)C(O)=O Amb24743829 [0,1,0,1,0,0|1,1,0]=4 4854 B10R1.229 CNC1(CCC1C)C(N)=O Amb25050846 [0,1,0,1,0,0|2,0,0]=4 4855 B10R1.348 CC(=O)C1CCCCCN1 Amb25169359 [0,1,0,1,0,0|2,0,0]=4 4856 B10R1.348 NC(=O)C1CCCCCN1 Amb23596651 [0,1,0,1,0,0|2,0,0]=4 4857 B10R1.348 NC(=O)C1CCNCCN1 Amb24680938 [0,1,0,1,0,0|2,0,0]=4 4858 B10R1.348 NC(=O)C1CNCCCN1 Amb25147425 [0,1,0,1,0,0|2,0,0]=4 4859 B10R1.348 NC(=O)C1COCCCN1 Amb25271527 [0,1,0,1,0,0|2,0,0]=4 4860 B10R1.348 OC(=O)C1CCC=CCC1 Amb22364688 [0,1,0,1,0,0|2,0,0]=4 4861 B10R1.348 OC(=O)C1CCCCC=C1 Amb25230619 [0,1,0,1,0,0|2,0,0]=4 4862 B10R1.348 OC(=O)C1CCCNCC1 Amb18831588 [0,1,0,1,0,0|2,0,0]=4 4863 B10R1.348 OC(=O)C1CCCOCC1 Amb18831505 [0,1,0,1,0,0|1,1,0]=4 4864 B10R1.348 OC(=O)C1CCCSCC1 Amb18199262 [0,1,0,1,0,0|1,0,0]=3 4865 B10R1.348 OC(=O)C1CNCCCO1 Amb17739810 [0,1,0,1,0,0|2,0,0]=4 4866 B10R1.348 OC(=O)C1CNCCCO1 Amb22523333 [0,1,0,1,0,0|2,0,0]=4 4867 B10R1.348 OC(=O)C1CNCCCS1 Amb25350672 [0,1,0,1,0,0|2,0,0]=4 4868 B10R1.348 OC(=O)C1CSCCCN1 Amb24374437 [0,1,0,1,0,0|1,0,0]=3 4869 B10R1.348 OC(=O)[C@@H]1CCCCC[NH2+]1 Amb10576587 [0,1,0,1,0,0|1,0,1]=4 4870 B10R1.348 OC(=O)[C@H]1CCCNCC1 Amb24479341 [0,1,0,1,0,0|2,0,0]=4 4871 B10R1.348 OC(=O)[C@H]1COCCCN1 Amb24730670 [0,1,0,1,0,0|1,0,0]=3 4872 B10R1.437 CCCCC1(CC1)C(O)=O Amb18062336 [0,1,0,1,0,0|2,0,0]=4 4873 B10R1.437 CNCCC1(CC1)C(O)=O Amb25216352 [0,1,0,1,0,0|2,0,0]=4 4874 B10R1.437 COCCC1(CC1)C(O)=O Amb20622891 [0,1,0,1,0,0|1,1,0]=4 4875 B10R1.437 CSCCC1(CC1)C(O)=O Amb24732629 [0,1,0,1,0,0|1,0,0]=3 4876 B10R1.469 CCC(CC1CC1)C(O)=O Amb18831634 [0,1,0,1,0,0|2,0,0]=4 4877 B10R1.469 COC(CC1CC1)C(O)=O Amb25243296 [0,1,0,1,0,0|2,0,0]=4 4878 B10R1.469 N#CC(CC1CC1)C(O)=O Amb25216051 [0,1,0,1,0,0|1,0,1]=4 4879 B10R1.469 NCC(CC1CC1)C(O)=O Amb19021768 [0,1,0,1,0,0|1,0,0]=3 4880 B10R1.477 CCC1(CCCC1)C(O)=O Amb18286199 [0,1,0,1,0,0|2,0,0]=4 4881 B10R1.477 CCC1(CNCC1)C(O)=O Amb22059208 [0,1,0,1,0,0|2,0,0]=4 4882 B10R1.477 CCC1(COCC1)C(O)=O Amb18964298 [0,1,0,1,0,0|1,1,0]=4 4883 B10R1.477 CNC1(CCCC1)C(C)=O Amb25782620 [0,1,0,1,0,0|2,0,0]=4 4884 B10R1.477 CNC1(CCCC1)C(N)=O Amb18950554 [0,1,0,1,0,0|2,0,0]=4 4885 B10R1.477 CNC1(CCCC1)C(O)=O Amb22587341 [0,1,0,1,0,0|1,0,0]=3 4886 B10R1.477 CNC1(COCC1)C(N)=O Amb24505208 [0,1,0,1,0,0|1,1,0]=4 4887 B10R1.477 CNC1(COCC1)C(O)=O Amb24476836 [0,1,0,1,0,0|0,1,0]=3 4888 B10R1.477 CNC1(CSCC1)C(N)=O Amb18281480 [0,1,0,1,0,0|1,0,0]=3 4889 B10R1.477 COC1(CCCC1)C(O)=O Amb18953819 [0,1,0,1,0,0|2,0,0]=4 4890 B10R1.477 COC1(COCC1)C(O)=O Amb25132849 [0,1,0,1,0,0|1,1,0]=4 4891 B10R1.477 COC1(CSCC1)C(O)=O Amb18953814 [0,1,0,1,0,0|1,0,0]=3 4892 B10R1.477 CSC1(CCCC1)C(O)=O Amb18953834 [0,1,0,1,0,0|2,0,0]=4 4893 B10R1.477 NCC1(CCCC1)C(N)=O Amb18957372 [0,1,0,1,0,0|2,0,0]=4 4894 B10R1.477 NCC1(CCCC1)C(O)=O Amb21955748 [0,1,0,1,0,0|1,0,0]=3 4895 B10R1.477 NCC1(CNCC1)C(O)=O Amb25368686 [0,1,0,1,0,0|1,0,0]=3 4896 B10R1.477 NCC1(COCC1)C(O)=O Amb25839450 [0,1,0,1,0,0|0,1,0]=3 4897 B10R1.477 NNC1(CCCC1)C(O)=O Amb25265249 [0,1,0,1,0,0|1,0,0]=3 4898 B10R1.477 OC(=O)C1(CCCC1)C=O Amb24479448 [0,1,0,1,0,0|2,0,0]=4 4899 B10R1.477 OC(=O)C1(CCCC1)NCl Amb25320868 [0,1,0,1,0,0|1,0,0]=3 4900 B10R1.477 OC(=O)C1(CF)COCC1 Amb24587792 [0,1,0,1,0,0|1,1,0]=4 4901 B10R1.477 OC(=O)C1(CF)CSCC1 Amb25276646 [0,1,0,1,0,0|1,0,0]=3 4902 B10R1.477 OCC1(CCCC1)C(=O)O Amb17399884 [0,1,0,1,0,0|2,0,0]=4 4903 B10R1.477 ONC1(CCCC1)C(O)=O Amb24579782 [0,1,0,1,0,0|1,0,0]=3 4904 B10R1.113 CC1CC(CCN1)C(O)=O Amb18831574 [0,1,0,1,0,0|2,0,0]=4 4905 B10R1.113 CC1CC(CNC1)C(O)=O Amb18643998 [0,1,0,1,0,0|2,0,0]=4 4906 B10R1.113 CC1CC(NCC1)C(=O)O Amb13886199 [0,1,0,1,0,0|1,0,0]=3 4907 B10R1.113 CC1CC(NCC1)C(O)=O Amb19375550 [0,1,0,1,0,0|1,0,0]=3 4908 B10R1.113 CC1CC(NCO1)C(O)=O Amb25039959 [0,1,0,1,0,0|0,1,0]=3 4909 B10R1.113 CC1CC(OCC1)C(O)=O Amb25266110 [0,1,0,1,0,0|2,0,0]=4 4910 B10R1.113 CC1CC(OCO1)C(O)=O Amb24753574 [0,1,0,1,0,0|1,1,0]=4 4911 B10R1.113 CC1CCCC(N1)C(O)=O Amb19959953 [0,1,0,1,0,0|1,0,0]=3 4912 B10R1.113 CC1CCCC(O1)C(O)=O Amb24529278 [0,1,0,1,0,0|2,0,0]=4 4913 B10R1.113 CC1CCNC(O1)C(O)=O Amb25702339 [0,1,0,1,0,0|2,0,0]=4 4914 B10R1.113 CC1CCOC(O1)C(O)=O Amb24524607 [0,1,0,1,0,0|2,0,0]=4 4915 B10R1.113 CC1COCC(N1)C(N)=O Amb23585370 [0,1,0,1,0,0|2,0,0]=4 4916 B10R1.113 CC1COCC(N1)C(O)=O Amb23585511 [0,1,0,1,0,0|1,0,0]=3 4917 B10R1.113 CC1CSCC(N1)C(O)=O Amb18645533 [0,1,0,1,0,0|1,0,0]=3 4918 B10R1.113 CC1NC(CCS1)C(O)=O Amb18278331 [0,1,0,1,0,0|0,0,0]=2 4919 B10R1.113 CC1OC(CCO1)C(O)=O Amb24502216 [0,1,0,1,0,0|1,1,0]=4 4920 B10R1.113 CC=1CC(CCC1)C(O)=O Amb18643566 [0,1,0,1,0,0|2,0,0]=4 4921 B10R1.113 CC=1CC(NCC1)C(O)=O Amb25761256 [0,1,0,1,0,0|1,0,1]=4 4922 B10R1.113 CC=1CCCC(N1)C(O)=O Amb25300583 [0,1,0,1,0,0|1,0,1]=4 4923 B10R1.113 CC=1CCC[C@H](N1)C(O)=O Amb24549209 [0,1,0,1,0,0|1,0,1]=4 4924 B10R1.113 CC=1NCC[C@H](N1)C(O)=O Amb22348409 [0,1,0,1,0,0|1,0,1]=4 4925 B10R1.113 CN1CC(NCC1)C(=O)O Amb10602764 [0,1,0,1,0,0|2,0,0]=4 4926 B10R1.113 CN1CC(NCC1)C(O)=O Amb22587697 [0,1,0,1,0,0|2,0,0]=4 4927 B10R1.113 CN1CC(NCC1)C(O)=O Amb22754371 [0,1,0,1,0,0|2,0,0]=4 4928 B10R1.113 CN1CC(OCC1)C(O)=O Amb18946166 [0,1,0,1,0,0|2,0,0]=4 4929 B10R1.113 CN1CC(OCC1)C(O)=O Amb19514725 [0,1,0,1,0,0|2,0,0]=4 4930 B10R1.113 CN1C[C@@H](CCC1)C(O)=O Amb22751960 [0,1,0,1,0,0|2,0,0]=4 4931 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O Amb10843963 [0,1,0,1,0,0|2,0,0]=4 4932 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(O)=O Amb25168905 [0,1,0,1,0,0|1,0,0]=3 4933 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(O)=O Amb25378882 [0,1,0,1,0,0|2,0,0]=4 4934 B10R1.113 C[C@@H]1COC[C@@H](N1)C(O)=O Amb25102766 [0,1,0,1,0,0|1,0,0]=3 4935 B10R1.113 C[C@@H]1CSC[C@H](N1)C(O)=O Amb24565699 [0,1,0,1,0,0|1,0,0]=3 4936 B10R1.113 C[C@@H]1C[C@@H](NCC1)C(O)=O Amb24725617 [0,1,0,1,0,0|1,0,0]=3 4937 B10R1.113 C[C@@H]1C[C@H](CNC1)C(O)=O Amb25095251 [0,1,0,1,0,0|2,0,0]=4 4938 B10R1.113 C[C@@H]1C[C@H](NCC1)C(O)=O Amb22744764 [0,1,0,1,0,0|1,0,0]=3 4939 B10R1.113 C[C@H]1CC(CCC1)C(O)=O Amb25824115 [0,1,0,1,0,0|2,0,0]=4 4940 B10R1.113 C[C@H]1CCC[C@H](O1)C(O)=O Amb24622482 [0,1,0,1,0,0|2,0,0]=4 4941 B10R1.113 C[C@H]1C[C@@H](CCC1)C(O)=O Amb24657322 [0,1,0,1,0,0|2,0,0]=4 4942 B10R1.113 C[C@H]1C[C@@H](NCC1)C(N)=O Amb24514977 [0,1,0,1,0,0|2,0,0]=4 4943 B10R1.113 C[C@H]1C[C@@H](OCC1)C(O)=O Amb25168475 [0,1,0,1,0,0|2,0,0]=4 4944 B10R1.113 N=C1N[C@@H](CCN1)C(O)=O Amb25123864 [0,1,0,1,0,0|1,0,1]=4 4945 B10R1.113 NC(=O)C1CC(O)CCN1 Amb24439182 [0,1,0,1,0,0|2,0,0]=4 4946 B10R1.113 NC(=O)[C@@H]1C[C@@H](O)CCN1 Amb25378735 [0,1,0,1,0,0|2,0,0]=4 4947 B10R1.113 NC(=O)[C@@H]1C[C@H](O)CCN1 Amb24537178 [0,1,0,1,0,0|2,0,0]=4 4948 B10R1.113 NC1=NC(CCS1)C(O)=O Amb25756997 [0,1,0,1,0,0|0,0,2]=4 4949 B10R1.113 NC1CC(NCC1)C(O)=O Amb25111737 [0,1,0,1,0,0|1,0,0]=3 4950 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Amb10873166 [0,1,0,1,0,0|2,0,0]=4 4951 B10R1.113 N[C@@H]1C[C@@H](CCC1)C(O)=O Amb20241307 [0,1,0,1,0,0|2,0,0]=4 4952 B10R1.113 N[C@@H]1C[C@@H](CCC1)C(O)=O Amb23439976 [0,1,0,1,0,0|2,0,0]=4 4953 B10R1.113 N[C@@H]1C[C@H](CCC1)C(O)=O Amb22746829 [0,1,0,1,0,0|2,0,0]=4 4954 B10R1.113 N[C@@H]1C[C@H](CCC1)C(O)=O Amb23439848 [0,1,0,1,0,0|2,0,0]=4 4955 B10R1.113 N[C@H]1C[C@@H](NCC1)C(O)=O Amb25305570 [0,1,0,1,0,0|1,0,0]=3 4956 B10R1.113 N[C@H]1C[C@H](CCC1)C(O)=O Amb20241308 [0,1,0,1,0,0|2,0,0]=4 4957 B10R1.113 O=C1CCC[C@H](N1)C(=O)O Amb10576327 [0,1,0,1,0,0|1,0,1]=4 4958 B10R1.113 O=C1CCNC(C1)C(=O)O Amb13889089 [0,1,0,1,0,0|1,0,1]=4 4959 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O Amb13889084 [0,1,0,1,0,0|1,0,1]=4 4960 B10R1.113 OC(=O)C1CC(Cl)CCN1 Amb24441476 [0,1,0,1,0,0|1,0,0]=3 4961 B10R1.113 OC(=O)C1CC(F)CCN1 Amb24423965 [0,1,0,1,0,0|1,0,0]=3 4962 B10R1.113 OC(=O)C1CCCC(Br)C1 Amb24478263 [0,1,0,1,0,0|2,0,0]=4 4963 B10R1.113 OC(=O)C1CCCC(Cl)C1 Amb18126349 [0,1,0,1,0,0|2,0,0]=4 4964 B10R1.113 OC(=O)C1CCNC(=N1)C Amb16193456 [0,1,0,1,0,0|1,0,1]=4 4965 B10R1.113 OC(=O)C1CCNC(=O)N1 Amb24659979 [0,1,0,1,0,0|1,0,1]=4 4966 B10R1.113 OC(=O)C1CNCC(=O)N1 Amb22235985 [0,1,0,1,0,0|2,0,0]=4 4967 B10R1.113 OC(=O)C1COCC(=O)N1 Amb18862478 [0,1,0,1,0,0|2,0,0]=4 4968 B10R1.113 OC(=O)[C@@H]1CCC[C@@H](Br)C1 Amb25366201 [0,1,0,1,0,0|2,0,0]=4 4969 B10R1.113 OC(=O)[C@@H]1CCC[C@H](Cl)C1 Amb24511905 [0,1,0,1,0,0|2,0,0]=4 4970 B10R1.113 OC(=O)[C@@H]1CCOC(=O)N1 Amb24745665 [0,1,0,1,0,0|0,1,1]=4 4971 B10R1.113 OC(=O)[C@@H]1CNCC(=O)N1 Amb22746774 [0,1,0,1,0,0|2,0,0]=4 4972 B10R1.113 OC(=O)[C@@H]1C[C@@H](Cl)CNN1 Amb24557811 [0,1,0,1,0,0|2,0,0]=4 4973 B10R1.113 OC(=O)[C@@H]1C[C@@H](F)CCN1 Amb25214695 [0,1,0,1,0,0|1,0,0]=3 4974 B10R1.113 OC(=O)[C@H]1CCNC(=O)N1 Amb24479098 [0,1,0,1,0,0|1,0,1]=4 4975 B10R1.113 OC(=O)[C@H]1COCC(=O)N1 Amb25235172 [0,1,0,1,0,0|2,0,0]=4 4976 B10R1.113 OC(=O)[C@H]1C[C@H](Cl)CNN1 Amb24710060 [0,1,0,1,0,0|2,0,0]=4 4977 B10R1.113 OC1CCCC(C1)C(O)=O Amb18644123 [0,1,0,1,0,0|2,0,0]=4 4978 B10R1.113 OC1CCCC(O1)C(O)=O Amb24426494 [0,1,0,1,0,0|2,0,0]=4 4979 B10R1.113 OC1CCC[C@H](N1)C(O)=O Amb24479127 [0,1,0,1,0,0|1,0,0]=3 4980 B10R1.113 OC1CCNC(C1)C(O)=O Amb24117443 [0,1,0,1,0,0|1,0,0]=3 4981 B10R1.113 OC1CNNC(C1)C(O)=O Amb18644257 [0,1,0,1,0,0|2,0,0]=4 4982 B10R1.113 O[C@@H]1CCC[C@@H](C1)C(O)=O Amb22899465 [0,1,0,1,0,0|2,0,0]=4 4983 B10R1.113 O[C@@H]1CCC[C@H](C1)C(O)=O Amb22899464 [0,1,0,1,0,0|2,0,0]=4 4984 B10R1.113 O[C@@H]1CCNC(C1)C(O)=O Amb25296203 [0,1,0,1,0,0|1,0,0]=3 4985 B10R1.113 O[C@@H]1CCN[C@@H](C1)C(=O)O Amb10606703 [0,1,0,1,0,0|1,0,0]=3 4986 B10R1.113 O[C@@H]1CCN[C@@H](C1)C(O)=O Amb22386828 [0,1,0,1,0,0|1,0,0]=3 4987 B10R1.113 O[C@@H]1CCN[C@H](C1)C(O)=O Amb22748263 [0,1,0,1,0,0|1,0,0]=3 4988 B10R1.113 O[C@H]1CCC[C@@H](C1)C(O)=O Amb24546990 [0,1,0,1,0,0|2,0,0]=4 4989 B10R1.113 O[C@H]1CCN[C@@H](C1)C(O)=O Amb22388540 [0,1,0,1,0,0|1,0,0]=3 4990 B10R1.113 O[C@H]1CCN[C@H](C1)C(O)=O Amb20241913 [0,1,0,1,0,0|1,0,0]=3 4991 B10R1.113 O[C@H]1CNN[C@H](C1)C(O)=O Amb24622480 [0,1,0,1,0,0|2,0,0]=4 4992 B10R1.116 CC1CCC1C(O)C(O)=O Amb25042981 [0,1,0,1,0,0|2,0,0]=4 4993 B10R1.118 CC1OC(=O)C(O)CC1O Amb25051397 [0,1,0,1,0,0|2,0,0]=4 4994 B10R1.203 CC(CC1(C)CC1)C(O)=O Amb24426872 [0,1,0,1,0,0|2,0,0]=4 4995 B10R1.203 CC(CC1(F)CC1)C(O)=O Amb24552140 [0,1,0,1,0,0|2,0,0]=4 4996 B10R1.203 CC(CC1(O)CC1)C(O)=O Amb24559581 [0,1,0,1,0,0|2,0,0]=4 4997 B10R1.203 CC1(CC(N)C(O)=O)CC1 Amb24120612 [0,1,0,1,0,0|1,0,0]=3 4998 B10R1.203 CC1(CC(N)C(O)=O)N=N1 Amb25076040 [0,1,0,1,0,0|2,0,0]=4 4999 B10R1.203 CC1(C[C@H](N)C(O)=O)N=N1 Amb24529254 [0,1,0,1,0,0|2,0,0]=4 5000 B10R1.204 CC(CC1CCN1)C(O)=O Amb24651293 [0,1,0,1,0,0|2,0,0]=4 5001 B10R1.204 CC(NC1CCC1)C(O)=O Amb18989323 [0,1,0,1,0,0|2,0,0]=4 5002 B10R1.204 CC(NC1CNC1)C(O)=O Amb24725468 [0,1,0,1,0,0|2,0,0]=4 5003 B10R1.204 CC(NC1COC1)C(O)=O Amb24397480 [0,1,0,1,0,0|1,1,0]=4 5004 B10R1.204 CC(NC1CSC1)C(O)=O Amb24549893 [0,1,0,1,0,0|1,0,0]=3 5005 B10R1.204 CC(OC1CCC1)C(O)=O Amb18977476 [0,1,0,1,0,0|2,0,0]=4 5006 B10R1.204 CC(OC1COC1)C(O)=O Amb24480855 [0,1,0,1,0,0|1,1,0]=4 5007 B10R1.204 CC(OC1CSC1)C(O)=O Amb25364553 [0,1,0,1,0,0|1,0,0]=3 5008 B10R1.204 CC(SC1CCC1)C(O)=O Amb24396553 [0,1,0,1,0,0|2,0,0]=4 5009 B10R1.204 CC(SC1COC1)C(O)=O Amb25767324 [0,1,0,1,0,0|1,1,0]=4 5010 B10R1.204 C[C@@H](NC1CCC1)C(O)=O Amb24529168 [0,1,0,1,0,0|2,0,0]=4 5011 B10R1.204 C[C@@H](NC1CNC1)C(O)=O Amb24509177 [0,1,0,1,0,0|2,0,0]=4 5012 B10R1.204 C[C@@H](NC1COC1)C(O)=O Amb25766094 [0,1,0,1,0,0|1,1,0]=4 5013 B10R1.204 C[C@@H](OC1CCC1)C(O)=O Amb25808190 [0,1,0,1,0,0|2,0,0]=4 5014 B10R1.204 C[C@H](NC1CCC1)C(O)=O Amb22641924 [0,1,0,1,0,0|2,0,0]=4 5015 B10R1.204 NC(CC1CCC1)C(O)=O Amb21963935 [0,1,0,1,0,0|1,0,0]=3 5016 B10R1.204 NC(CC1COC1)C(N)=O Amb25072501 [0,1,0,1,0,0|1,1,0]=4 5017 B10R1.204 NC(CC1CSC1)C(N)=O Amb25212560 [0,1,0,1,0,0|1,0,0]=3 5018 B10R1.204 NC(CN1CCC1)C(N)=O Amb25125098 [0,1,0,1,0,0|2,0,0]=4 5019 B10R1.204 N[C@@H](CC1CCC1)C(O)=O Amb22641837 [0,1,0,1,0,0|1,0,0]=3 5020 B10R1.204 N[C@H](CC1CCC1)C(O)=O Amb19889667 [0,1,0,1,0,0|1,0,0]=3 5021 B10R1.204 N[C@H](CC1COC1)C(N)=O Amb25320681 [0,1,0,1,0,0|1,1,0]=4 5022 B10R1.204 OC(CC1CCC1)C(O)=O Amb25701846 [0,1,0,1,0,0|2,0,0]=4 5023 B10R1.235 CCC1(C)CC(C1)C(O)=O Amb24687077 [0,1,0,1,0,0|2,0,0]=4 5024 B10R1.244 CC1(CO)CC(N)C(=O)O1 Amb24610564 [0,1,0,1,0,0|2,0,0]=4 5025 B10R1.244 CCC1(C)CC(Br)C(=O)O1 Amb24478194 [0,1,0,1,0,0|2,0,0]=4 5026 B10R1.244 CCC1(C)CC(N)C(=O)O1 Amb25147524 [0,1,0,1,0,0|1,0,0]=3 5027 B10R1.244 CC[C@@]1(C)CC(Br)C(=O)O1 Amb25733541 [0,1,0,1,0,0|2,0,0]=4 5028 B10R1.244 C[C@@]1(CO)C[C@@H](N)C(=O)O1 Amb25175052 [0,1,0,1,0,0|2,0,0]=4 5029 B10R1.244 C[C@@]1(CO)C[C@H](N)C(=O)O1 Amb24598578 [0,1,0,1,0,0|2,0,0]=4 5030 B10R1.244 C[C@]1(CO)C[C@H](N)C(=O)O1 Amb24699452 [0,1,0,1,0,0|2,0,0]=4 5031 B10R1.331 CC1C(C)CC1(N)C(N)=O Amb25720460 [0,1,0,1,0,0|2,0,0]=4 5032 B10R1.484 CC1(CC1(O)C(O)=O)CC Amb24480743 [0,1,0,1,0,0|2,0,0]=4 5033 B10R1.490 COC1CC(N)(C1)C(O)=O Amb25054956 [0,1,0,1,0,0|0,1,0]=3 5034 B10R1.490 NC1(CC(C1)CO)C(O)=O Amb25223041 [0,1,0,1,0,0|2,0,0]=4 5035 B10R1.490 NC[C@@H]1C[C@](N)(C1)C(O)=O Amb25127996 [0,1,0,1,0,0|2,0,0]=4 5036 B10R1.490 N[C@@]1(C[C@@H](CF)C1)C(O)=O Amb24446551 [0,1,0,1,0,0|2,0,0]=4 5037 B10R1.490 N[C@@]1(C[C@H](C1)CO)C(O)=O Amb25292195 [0,1,0,1,0,0|2,0,0]=4 5038 B10R1.93 CCCC1CC(C1)C(O)=O Amb23537724 [0,1,0,1,0,0|2,0,0]=4 5039 B10R1.93 CCCN1CC(C1)C(O)=O Amb24353714 [0,1,0,1,0,0|2,0,0]=4 5040 B10R1.93 CCNC1CC(C1)C(O)=O Amb20622657 [0,1,0,1,0,0|2,0,0]=4 5041 B10R1.93 CCOC1CC(C1)C(O)=O Amb23448945 [0,1,0,1,0,0|1,1,0]=4 5042 B10R1.93 COCC1CC(C1)C(O)=O Amb25835213 [0,1,0,1,0,0|1,1,0]=4 5043 B10R1.131 CCCC1CC(O)C(=O)O1 Amb25306351 [0,1,0,1,0,0|2,0,0]=4 5044 B10R1.131 CSCC1CN(C(=O)O1)N Amb17594038 [0,1,0,1,0,0|1,0,0]=3 5045 B10R1.131 C\C=C\[C@H]1C[C@@H](O)C(=O)O1 Amb25271871 [0,1,0,1,0,0|2,0,0]=4 5046 B10R1.131 NC1CC(CCN)OC1=O Amb24351646 [0,1,0,1,0,0|1,0,0]=3 5047 B10R1.131 NC1CC(CCO)OC1=O Amb24596483 [0,1,0,1,0,0|1,0,0]=3 5048 B10R1.131 N[C@H]1C[C@@H](CCN)OC1=O Amb25224176 [0,1,0,1,0,0|1,0,0]=3 5049 B10R1.363 CC(=O)C1(N)CCCCC1 Amb1091885 [0,1,0,1,0,0|2,0,0]=4 5050 B10R1.363 CC(=O)C1(N)CCCCC1 Amb22283957 [0,1,0,1,0,0|2,0,0]=4 5051 B10R1.363 CC1(CC=CCC1)C(O)=O Amb18643550 [0,1,0,1,0,0|2,0,0]=4 5052 B10R1.363 CC1(CCCCN1)C(O)=O Amb21959568 [0,1,0,1,0,0|1,0,0]=3 5053 B10R1.363 CC1(CCNCC1)C(O)=O Amb19891294 [0,1,0,1,0,0|2,0,0]=4 5054 B10R1.363 CC1(CCOCO1)C(O)=O Amb24648903 [0,1,0,1,0,0|1,1,0]=4 5055 B10R1.363 CC1(CNCCC1)C(O)=O Amb19148847 [0,1,0,1,0,0|2,0,0]=4 5056 B10R1.363 CC1(COCCC1)C(O)=O Amb18949055 [0,1,0,1,0,0|1,1,0]=4 5057 B10R1.363 C[C@@]1(CC=CCC1)C(O)=O Amb25286768 [0,1,0,1,0,0|2,0,0]=4 5058 B10R1.363 C[C@@]1(CCCCN1)C(N)=O Amb25147419 [0,1,0,1,0,0|2,0,0]=4 5059 B10R1.363 C[C@@]1(CCCCN1)C(O)=O Amb22262934 [0,1,0,1,0,0|1,0,0]=3 5060 B10R1.363 C[C@@]1(CCCCO1)C(O)=O Amb24659158 [0,1,0,1,0,0|2,0,0]=4 5061 B10R1.363 C[C@]1(CCCCN1)C(O)=O Amb22262937 [0,1,0,1,0,0|1,0,0]=3 5062 B10R1.363 C[C@]1(COCCN1)C(O)=O Amb25320322 [0,1,0,1,0,0|1,1,0]=4 5063 B10R1.363 NC(=O)C1(N)CCNCC1 Amb18278418 [0,1,0,1,0,0|2,0,0]=4 5064 B10R1.363 NC(=O)C1(N)CCOCC1 Amb18278286 [0,1,0,1,0,0|1,1,0]=4 5065 B10R1.363 NC(=O)C1(N)CCSCC1 Amb18278809 [0,1,0,1,0,0|1,0,0]=3 5066 B10R1.363 NC(=O)C1(N)COCCC1 Amb22059476 [0,1,0,1,0,0|1,1,0]=4 5067 B10R1.363 NC(=O)C1(N)CSCCC1 Amb18948520 [0,1,0,1,0,0|1,0,0]=3 5068 B10R1.363 NC(=O)C1(O)CCSCC1 Amb18800545 [0,1,0,1,0,0|2,0,0]=4 5069 B10R1.363 NC(=O)C1(O)CSCCC1 Amb18792351 [0,1,0,1,0,0|2,0,0]=4 5070 B10R1.363 NC1(CCCCC1)C(O)=O Amb22406331 [0,1,0,1,0,0|1,0,0]=3 5071 B10R1.363 NC1(CCCCC1)P(O)=O Amb25723526 [0,1,0,1,0,0|2,0,0]=4 5072 B10R1.363 NC1(CCNCC1)C(O)=O Amb22168380 [0,1,0,1,0,0|1,0,0]=3 5073 B10R1.363 NC1(CCSCC1)C(O)=O Amb17943831 [0,1,0,1,0,0|0,0,0]=2 5074 B10R1.363 NC1(CNCCC1)C(O)=O Amb20242317 [0,1,0,1,0,0|1,0,0]=3 5075 B10R1.363 NC1(CNCCC1)C(O)=O Amb22756826 [0,1,0,1,0,0|1,0,0]=3 5076 B10R1.363 NC1(COCCC1)C(O)=O Amb19958927 [0,1,0,1,0,0|0,1,0]=3 5077 B10R1.363 NC1(COCCC1)C(O)=O Amb22270206 [0,1,0,1,0,0|0,1,0]=3 5078 B10R1.363 NC1(CSCCC1)C(O)=O Amb18948549 [0,1,0,1,0,0|0,0,0]=2 5079 B10R1.363 N[C@@]1(CSCCC1)C(O)=O Amb25116300 [0,1,0,1,0,0|0,0,0]=2 5080 B10R1.363 N[C@]1(COCCC1)C(O)=O Amb20241217 [0,1,0,1,0,0|0,1,0]=3 5081 B10R1.363 N[C@]1(CSCCC1)C(O)=O Amb25347561 [0,1,0,1,0,0|0,0,0]=2 5082 B10R1.363 OC(=O)C1(Br)CCCCC1 Amb18130989 [0,1,0,1,0,0|2,0,0]=4 5083 B10R1.363 OC(=O)C1(Br)CCOCC1 Amb25828678 [0,1,0,1,0,0|1,1,0]=4 5084 B10R1.363 OC(=O)C1(C)CCCCC1 Amb1148788 [0,1,0,1,0,0|2,0,0]=4 5085 B10R1.363 OC(=O)C1(C)CCCCC1 Amb2388313 [0,1,0,1,0,0|2,0,0]=4 5086 B10R1.363 OC(=O)C1(C)CCCCO1 Amb10072964 [0,1,0,1,0,0|2,0,0]=4 5087 B10R1.363 OC(=O)C1(C)CCCNC1 Amb17622036 [0,1,0,1,0,0|2,0,0]=4 5088 B10R1.363 OC(=O)C1(C)CCNCC1 Amb15701613 [0,1,0,1,0,0|2,0,0]=4 5089 B10R1.363 OC(=O)C1(C)CCOCC1 Amb10843981 [0,1,0,1,0,0|1,1,0]=4 5090 B10R1.363 OC(=O)C1(C)CCSCC1 Amb10843982 [0,1,0,1,0,0|1,0,0]=3 5091 B10R1.363 OC(=O)C1(Cl)CCOCC1 Amb18646184 [0,1,0,1,0,0|1,1,0]=4 5092 B10R1.363 OC(=O)C1(F)CC=CCC1 Amb24597626 [0,1,0,1,0,0|2,0,0]=4 5093 B10R1.363 OC(=O)C1(F)CCCCC1 Amb10603425 [0,1,0,1,0,0|2,0,0]=4 5094 B10R1.363 OC(=O)C1(F)CCNCC1 Amb17739849 [0,1,0,1,0,0|2,0,0]=4 5095 B10R1.363 OC(=O)C1(F)CCNCC1 Amb19374711 [0,1,0,1,0,0|2,0,0]=4 5096 B10R1.363 OC(=O)C1(F)CCOCC1 Amb16233480 [0,1,0,1,0,0|1,1,0]=4 5097 B10R1.363 OC(=O)C1(F)CCSCC1 Amb25218006 [0,1,0,1,0,0|1,0,0]=3 5098 B10R1.363 OC(=O)C1(F)CNCCC1 Amb24062229 [0,1,0,1,0,0|2,0,0]=4 5099 B10R1.363 OC(=O)C1(F)COCCC1 Amb25178890 [0,1,0,1,0,0|1,1,0]=4 5100 B10R1.363 OC(=O)C1(N)CCCCC1 Amb1153058 [0,1,0,1,0,0|1,0,0]=3 5101 B10R1.363 OC(=O)C1(N)CCNCC1 Amb16230706 [0,1,0,1,0,0|1,0,0]=3 5102 B10R1.363 OC(=O)C1(O)CC=CCC1 Amb24480446 [0,1,0,1,0,0|2,0,0]=4 5103 B10R1.363 OC(=O)C1(O)CCCCC1 Amb1159102 [0,1,0,1,0,0|2,0,0]=4 5104 B10R1.363 OC(=O)C1(O)CCCCN1 Amb24669624 [0,1,0,1,0,0|1,0,0]=3 5105 B10R1.363 OC(=O)C1(O)CCNCC1 Amb10552861 [0,1,0,1,0,0|2,0,0]=4 5106 B10R1.363 OC(=O)C1(O)CCNCC1 Amb21961528 [0,1,0,1,0,0|2,0,0]=4 5107 B10R1.363 OC(=O)C1(O)CCOCC1 Amb18944710 [0,1,0,1,0,0|1,1,0]=4 5108 B10R1.363 OC(=O)C1(O)CCSCC1 Amb18945166 [0,1,0,1,0,0|1,0,0]=3 5109 B10R1.363 OC(=O)C1(O)CNCCC1 Amb18202374 [0,1,0,1,0,0|2,0,0]=4 5110 B10R1.363 OC(=O)C1(O)COCCC1 Amb24568440 [0,1,0,1,0,0|1,1,0]=4 5111 B10R1.363 OC(=O)C1(O)CSCCC1 Amb18948510 [0,1,0,1,0,0|1,0,0]=3 5112 B10R1.363 OC(=O)C1(S)CCCCC1 Amb22499381 [0,1,0,1,0,0|2,0,0]=4 5113 B10R1.363 OC(=O)C1([NH3+])CCCCC1 Amb16204277 [0,1,0,1,0,0|1,0,1]=4 5114 B10R1.363 OC(=O)[C@@]1(O)CC=CCC1 Amb24402982 [0,1,0,1,0,0|2,0,0]=4 5115 B10R1.363 OC(=O)[C@]1(F)CNCCC1 Amb24502317 [0,1,0,1,0,0|2,0,0]=4 5116 B10R1.451 N[C@@]1(CC[C@H]1CO)C(O)=O Amb24629045 [0,1,0,1,0,0|1,0,0]=3 5117 B10R1.333 CC1CC1C(C)(N)C(N)=O Amb24440412 [0,1,0,1,0,0|2,0,0]=4 5118 B10R1.333 CC1CC1C(C)(O)C(O)=O Amb25322367 [0,1,0,1,0,0|2,0,0]=4 5119 B10R1.354 CC(F)(C1CCC1)C(O)=O Amb25178889 [0,1,0,1,0,0|2,0,0]=4 5120 B10R1.354 CC(O)(C1CCC1)C(O)=O Amb18202406 [0,1,0,1,0,0|2,0,0]=4 5121 B10R1.354 C[C@@](N)(C1CCC1)C(O)=O Amb25095933 [0,1,0,1,0,0|1,0,0]=3 5122 B10R1.354 C[C@](N)(C1CCC1)C(O)=O Amb24470367 [0,1,0,1,0,0|1,0,0]=3 5123 B10R1.356 CC(C)(CC1CC1)C(O)=O Amb21962125 [0,1,0,1,0,0|2,0,0]=4 5124 B10R1.356 CC(N)(CC1CC1)C(N)=O Amb25684627 [0,1,0,1,0,0|2,0,0]=4 5125 B10R1.356 C[C@](N)(CC1CC1)C(O)=O Amb24395176 [0,1,0,1,0,0|1,0,0]=3 5126 B10R1.356 OC(=O)C(F)(F)CC1CC1 Amb25703701 [0,1,0,1,0,0|2,0,0]=4 5127 B10R2.61 O=C1NC2CC1NCC2 Amb25104840 [0,0,0,2,0,0|2,0,0]=4 5128 B10R2.61 O=C1OC2CNNC1C2 Amb24333571 [0,0,0,2,0,0|2,0,0]=4 5129 B10R2.61 O=C1O[C@@H]2C[C@H]1NCC2 Amb25291145 [0,0,0,2,0,0|1,0,0]=3 5130 B10R2.178 O=C1NCC2CCC1N2 Amb18642437 [0,0,0,2,0,0|2,0,0]=4 5131 B10R2.178 O=C1NCC2CC[C@@H]1N2 Amb25135365 [0,0,0,2,0,0|2,0,0]=4 5132 B10R2.178 O=C1NC[C@@H]2CC[C@H]1N2 Amb24586924 [0,0,0,2,0,0|2,0,0]=4 5133 B10R2.62 O=C1OC2CCC1CC2 Amb22731693 [0,0,0,2,0,0|2,0,0]=4 5134 B10R2.344 OC(=O)C12CC1CCC2 Amb25127064 [0,0,0,2,0,0|2,0,0]=4 5135 B10R2.344 OC(=O)C12CC1CCN2 Amb17774958 [0,0,0,2,0,0|1,0,0]=3 5136 B10R2.344 OC(=O)C12CC1NCC2 Amb25737515 [0,0,0,2,0,0|2,0,0]=4 5137 B10R2.344 OC(=O)C12CCNC1C2 Amb10610567 [0,0,0,2,0,0|2,0,0]=4 5138 B10R2.344 OC(=O)C12CNCC1C2 Amb10610568 [0,0,0,2,0,0|2,0,0]=4 5139 B10R2.344 OC(=O)C12CNCC1C2 Amb23439718 [0,0,0,2,0,0|2,0,0]=4 5140 B10R2.344 OC(=O)[C@@]12CC1CCN2 Amb18792525 [0,0,0,2,0,0|1,0,0]=3 5141 B10R2.344 OC(=O)[C@@]12CC1CCN2 Amb25201805 [0,0,0,2,0,0|1,0,0]=3 5142 B10R2.344 OC(=O)[C@@]12C[C@@H]1CCN2 Amb19514545 [0,0,0,2,0,0|1,0,0]=3 5143 B10R2.344 OC(=O)[C@@]12C[C@@H]1CCN2 Amb23440603 [0,0,0,2,0,0|1,0,0]=3 5144 B10R2.344 OC(=O)[C@@]12NCCC1C2 Amb2371887 [0,0,0,2,0,0|1,0,0]=3 5145 B10R2.344 OC(=O)[C@]12CC1CCN2 Amb17719275 [0,0,0,2,0,0|1,0,0]=3 5146 B10R2.344 OC(=O)[C@]12COC[C@H]1C2 Amb24745705 [0,0,0,2,0,0|1,1,0]=4 5147 B10R2.344 OC(=O)[C@]12C[C@@H]1CCN2 Amb25375723 [0,0,0,2,0,0|1,0,0]=3 5148 B10R2.345 OC(=O)C12CCC1CC2 Amb24743262 [0,0,0,2,0,0|2,0,0]=4 5149 B10R2.345 OC(=O)C12CCN1CC2 Amb24078257 [0,0,0,2,0,0|2,0,0]=4 5150 B10R2.345 OC(=O)[C@@]12CC[C@@H]1CC2 Amb24372279 [0,0,0,2,0,0|2,0,0]=4 5151 B10R2.351 CC(=O)C1C2CSCC21 Amb24566763 [0,0,0,2,0,0|2,0,0]=4 5152 B10R2.351 OC(=O)C1C2CNCC21 Amb18203279 [0,0,0,2,0,0|2,0,0]=4 5153 B10R2.351 OC(=O)C1C2CNCC21 Amb24277089 [0,0,0,2,0,0|2,0,0]=4 5154 B10R2.351 OC(=O)C1C2COCC21 Amb19957781 [0,0,0,2,0,0|1,1,0]=4 5155 B10R2.351 OC(=O)C1[C@H]2CCC[C@H]21 Amb25218626 [0,0,0,2,0,0|2,0,0]=4 5156 B10R2.351 OC(=O)C1[C@H]2CNC[C@H]21 Amb24758246 [0,0,0,2,0,0|2,0,0]=4 5157 B10R2.351 OC(=O)[C@@H]1[C@@H]2CNC[C@@H]21 Amb24477697 [0,0,0,2,0,0|2,0,0]=4 5158 B10R2.351 OC(=O)[C@@H]1[C@@H]2COC[C@@H]21 Amb22748606 [0,0,0,2,0,0|1,1,0]=4 5159 B10R2.351 OC(=O)[C@@H]1[C@H]2CNC[C@H]21 Amb22893495 [0,0,0,2,0,0|2,0,0]=4 5160 B10R2.351 OC(=O)[C@@H]1[C@H]2COC[C@H]21 Amb24183373 [0,0,0,2,0,0|1,1,0]=4 5161 B10R2.355 NC(=O)[C@@H]1NC[C@@H]2C[C@@H]21 Amb25328113 [0,0,0,2,0,0|2,0,0]=4 5162 B10R2.355 O=C(Cl)C1NCC2CC21 Amb25273890 [0,0,0,2,0,0|2,0,0]=4 5163 B10R2.355 OC(=O)C1NCC2C1C2 Amb2444163 [0,0,0,2,0,0|1,0,0]=3 5164 B10R2.355 OC(=O)C1NCC2OC12 Amb24398573 [0,0,0,2,0,0|2,0,0]=4 5165 B10R2.355 OC(=O)C1NC[C@@H]2[C@@H]1C2 Amb10068967 [0,0,0,2,0,0|1,0,0]=3 5166 B10R2.355 OC(=O)C1SCC2CC21 Amb18202403 [0,0,0,2,0,0|2,0,0]=4 5167 B10R2.355 OC(=O)[C@@H]1NC[C@@H]2C[C@@H]21 Amb22737256 [0,0,0,2,0,0|1,0,0]=3 5168 B10R2.355 OC(=O)[C@@H]1NC[C@H]2C[C@H]21 Amb18792526 [0,0,0,2,0,0|1,0,0]=3 5169 B10R2.355 OC(=O)[C@@H]1NC[C@H]2C[C@H]21 Amb23440593 [0,0,0,2,0,0|1,0,0]=3 5170 B10R2.355 OC(=O)[C@H]1NCC2CC21 Amb25854292 [0,0,0,2,0,0|1,0,0]=3 5171 B10R2.355 OC(=O)[C@H]1NC[C@@H]2C[C@H]12 Amb17913042 [0,0,0,2,0,0|1,0,0]=3 5172 B10R2.355 OC(=O)[C@H]1NC[C@@H]2O[C@H]12 Amb25175074 [0,0,0,2,0,0|2,0,0]=4 5173 B10R2.355 OC(=O)[C@H]1NC[C@@H]2[C@H]1C2 Amb2372044 [0,0,0,2,0,0|1,0,0]=3 5174 B10R2.355 OC(=O)[C@H]1NC[C@H]2O[C@@H]12 Amb24567662 [0,0,0,2,0,0|2,0,0]=4 5175 B10R2.355 OC(=O)[C@H]1NC[C@H]2[C@@H]1C2 Amb2372045 [0,0,0,2,0,0|1,0,0]=3 5176 B10R2.355 [C@H]12C[C@H]1C(NC2)C(O)=O Amb17872475 [0,0,0,2,0,0|1,0,0]=3 5177 B10R2.357 NC(=O)C1CC2CC2N1 Amb25066699 [0,0,0,2,0,0|2,0,0]=4 5178 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 Amb22504301 [0,0,0,2,0,0|2,0,0]=4 5179 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 Amb22746576 [0,0,0,2,0,0|2,0,0]=4 5180 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 Amb22746662 [0,0,0,2,0,0|2,0,0]=4 5181 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 Amb22746663 [0,0,0,2,0,0|2,0,0]=4 5182 B10R2.357 NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 Amb22745970 [0,0,0,2,0,0|2,0,0]=4 5183 B10R2.357 NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 Amb22755779 [0,0,0,2,0,0|2,0,0]=4 5184 B10R2.357 OC(=O)C1CC2C(C1)O2 Amb16233359 [0,0,0,2,0,0|1,1,0]=4 5185 B10R2.357 OC(=O)C1CC2CC2C1 Amb23439567 [0,0,0,2,0,0|2,0,0]=4 5186 B10R2.357 OC(=O)C1CC2CC2N1 Amb18203281 [0,0,0,2,0,0|1,0,0]=3 5187 B10R2.357 OC(=O)C1CC2CC2S1 Amb18202402 [0,0,0,2,0,0|2,0,0]=4 5188 B10R2.357 OC(=O)[C@@H]1CC2C[C@@H]2N1 Amb24745752 [0,0,0,2,0,0|1,0,0]=3 5189 B10R2.357 OC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 Amb18792527 [0,0,0,2,0,0|1,0,0]=3 5190 B10R2.357 OC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 Amb23439721 [0,0,0,2,0,0|1,0,0]=3 5191 B10R2.357 OC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2 Amb2372046 [0,0,0,2,0,0|1,0,0]=3 5192 B10R2.357 OC(=O)[C@@H]1C[C@H]2C[C@H]2C1 Amb24532832 [0,0,0,2,0,0|2,0,0]=4 5193 B10R2.357 OC(=O)[C@@H]1C[C@H]2C[C@H]2N1 Amb17719277 [0,0,0,2,0,0|1,0,0]=3 5194 B10R2.357 OC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 Amb2372541 [0,0,0,2,0,0|1,0,0]=3 5195 B10R2.19 NC12CC(CC1=O)CC2 Amb23580751 [0,0,0,2,0,0|2,0,0]=4 5196 B10R2.346 NC(=O)C1NC2CC1C2 Amb24579183 [0,0,0,2,0,0|2,0,0]=4 5197 B10R2.348 OC(=O)C12CCC(C1)C2 Amb17593309 [0,0,0,2,0,0|2,0,0]=4 5198 B10R2.348 OC(=O)[C@]12C[C@H](C1)CC2 Amb24601403 [0,0,0,2,0,0|2,0,0]=4 5199 B10R2.633 OC(=O)C1CC1C2CC2 Amb18960095 [0,0,0,2,0,0|2,0,0]=4 5200 B10R2.633 OC(=O)[C@@H]1C[C@@H]1C2CC2 Amb25292209 [0,0,0,2,0,0|2,0,0]=4 5201 B10R2.633 OC(=O)[C@H]1C[C@@H]1C2CC2 Amb25261465 [0,0,0,2,0,0|2,0,0]=4 5202 B10R2.638 CC(=O)C1CC12CSC2 Amb24756970 [0,0,0,2,0,0|2,0,0]=4 5203 B10R2.638 OC(=O)C1CC12CSC2 Amb24654863 [0,0,0,2,0,0|1,0,0]=3 5204 B10R2.649 NC1(CC12CC2)C(N)=O Amb25365292 [0,0,0,2,0,0|2,0,0]=4 5205 B10R2.649 N[C@@]1(CC12CC2)C(O)=O Amb24548839 [0,0,0,2,0,0|1,0,0]=3 5206 B10R2.649 OC(=O)C1(Cl)CC12CC2 Amb24340116 [0,0,0,2,0,0|2,0,0]=4 5207 B10R2.646 OC(=O)C1CC2(C1)CC2 Amb23452520 [0,0,0,2,0,0|2,0,0]=4 5208 B10R0.78 CCCCC(O)C#CC(O)=O Amb24650964 [0,0,0,0,0,2|2,0,0]=4 5209 B10R0.78 CCCCC(O)CCC(O)=O Amb17689111 [0,0,0,0,0,2|2,0,0]=4