0 B11R0.29 CC(=N)NCCC[C@@H](N)C(O)=O Amb19132784 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.29 CC(=O)NCSC[C@@H](N)C(N)=O Amb23439024 [0,0,0,0,0,0|3,0,0]=3 2 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22745261 [0,0,0,0,0,0|2,0,0]=2 3 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22747127 [0,0,0,0,0,0|2,0,0]=2 4 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb23438964 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.29 CC(=O)NCSC[C@H](N)C(N)=O Amb19930742 [0,0,0,0,0,0|3,0,0]=3 6 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22231424 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22349445 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.29 NC(=N)NCCCC(C(=O)O)N Amb1151252 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.29 NC(=N)NCCCC(N)C(O)=O Amb22349947 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.29 NC(=N)NCCCC(O)C(O)=O Amb22730085 [0,0,0,0,0,0|2,0,0]=2 11 B11R0.29 NC(=N)NCCC[C@@H](C(=O)N)N Amb16232536 [0,0,0,0,0,0|2,0,0]=2 12 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745064 [0,0,0,0,0,0|1,0,0]=1 13 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745189 [0,0,0,0,0,0|1,0,0]=1 14 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745210 [0,0,0,0,0,0|1,0,0]=1 15 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745478 [0,0,0,0,0,0|1,0,0]=1 16 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745921 [0,0,0,0,0,0|1,0,0]=1 17 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22748687 [0,0,0,0,0,0|1,0,0]=1 18 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22801409 [0,0,0,0,0,0|1,0,0]=1 19 B11R0.29 NC(=N)NOCCC(N)C(O)=O Amb22261558 [0,0,0,0,0,0|2,0,0]=2 20 B11R0.29 NC(=N)NOCC[C@@H](C(=O)O)N Amb10843206 [0,0,0,0,0,0|2,0,0]=2 21 B11R0.29 NC(=N)NOCC[C@H](N)C(O)=O Amb22338123 [0,0,0,0,0,0|2,0,0]=2 22 B11R0.29 NC(=N)N\C=C\CC(N)C(O)=O Amb25097765 [0,0,0,0,0,0|1,0,2]=3 23 B11R0.29 NC(=O)NCCCC(N)C([O-])=O Amb22330608 [0,0,0,0,0,0|1,0,2]=3 24 B11R0.29 NC(=O)NCCC[C@@H](N)C(O)=O Amb22744872 [0,0,0,0,0,0|1,0,1]=2 25 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)S Amb19930603 [0,0,0,0,0,0|1,1,1]=3 26 B11R0.29 NC(=O)NCCC[C@H](N)C(O)=O Amb22169596 [0,0,0,0,0,0|1,0,1]=2 27 B11R0.29 NC(=O)[C@@H](N)CCCNC(N)=N Amb22899566 [0,0,0,0,0,0|2,0,0]=2 28 B11R0.29 NC(=S)NCCCC(N)C(O)=O Amb22470953 [0,0,0,0,0,0|1,0,1]=2 29 B11R0.29 NC(=S)NCCC[C@@H](N)C(O)=O Amb22799910 [0,0,0,0,0,0|1,0,1]=2 30 B11R0.29 NC(CSCCC(O)=O)C(O)=O Amb22734793 [0,0,0,0,0,0|4,0,0]=4 31 B11R0.29 NC(N)=NCCCC(N)C(O)=O Amb19866551 [0,0,0,0,0,0|1,0,2]=3 32 B11R0.29 N[13C](=N)N[13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337496 [0,0,0,0,0,0|1,0,0]=1 33 B11R0.29 N[C@@H](CCCCB(O)O)C(O)=O Amb22747786 [0,0,0,0,0,0|4,0,0]=4 34 B11R0.29 N[C@@H](CCCCC(O)=O)C(O)=O Amb22746360 [0,0,0,0,0,0|3,0,0]=3 35 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O Amb17942890 [0,0,0,0,0,0|1,0,0]=1 36 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O Amb17942891 [0,0,0,0,0,0|1,0,0]=1 37 B11R0.29 OC(=O)CCCCC(C(=O)O)C Amb10844066 [0,0,0,0,0,0|4,0,0]=4 38 B11R0.29 OC(=O)CCSC[C@@H](C(=O)O)N Amb17610546 [0,0,0,0,0,0|4,0,0]=4 39 B11R0.29 [15NH2]C(=[15NH])[15NH]CCC[C@H]([15NH2])C(O)=O Amb22353583 [0,0,0,0,0,0|1,0,0]=1 40 B10R0.55 CC(=O)NCCCC(N)=NO Amb18182415 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.75 C=CCCCC[C@@H](N)C(O)=O Amb22747247 [1,0,0,0,0,0|1,0,1]=3 42 B10R0.75 C=CCCCC[C@H](N)C(O)=O Amb22270014 [1,0,0,0,0,0|1,0,1]=3 43 B10R0.75 CC#CCCCC(C)C(O)=O Amb25380144 [1,0,0,0,0,0|2,0,1]=4 44 B10R0.75 CC#CCCCC(N)C(N)=O Amb24762939 [1,0,0,0,0,0|2,0,1]=4 45 B10R0.75 CC#CCCC[C@@H](N)C(O)=O Amb25383152 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.75 CC#CCCC[C@H](N)C(O)=O Amb25382982 [1,0,0,0,0,0|1,0,1]=3 47 B10R0.75 CC#CCSCC(N)C(O)=O Amb18183766 [1,0,0,0,0,0|2,0,1]=4 48 B10R0.75 CC#CCSC[C@@H](N)C(O)=O Amb18803385 [1,0,0,0,0,0|2,0,1]=4 49 B10R0.75 CCCCCCC(C(=O)O)C Amb10843971 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.75 CCCCCC[C@H](C(=O)O)N Amb16183913 [1,0,0,0,0,0|1,0,1]=3 51 B10R0.97 C=C(F)CCCCCC(O)=O Amb22641493 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.97 CC(=O)NCCCCC(O)=O Amb22330473 [1,0,0,0,0,0|1,0,0]=2 53 B10R0.97 CC(=O)NCCCNC(C)=O Amb17918643 [1,0,0,0,0,0|3,0,0]=4 54 B10R0.97 CC(=O)NCCCNC(N)=N Amb24762922 [1,0,0,0,0,0|3,0,0]=4 55 B10R0.97 CC(=O)NCCOCC(O)=O Amb24271178 [1,0,0,0,0,0|2,0,0]=3 56 B10R0.97 CC(CCCCCC(=O)O)C Amb16232096 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.97 CC(O)CCCCCC(O)=O Amb24117232 [1,0,0,0,0,0|2,0,1]=4 58 B10R0.97 NC(=N)NCCCCC(O)=O Amb23523074 [1,0,0,0,0,0|1,0,0]=2 59 B10R0.97 NC(=N)SCCCCC(O)=O Amb19787005 [1,0,0,0,0,0|2,0,0]=3 60 B10R0.97 OC(=O)CCCCNC(=O)N Amb1154252 [1,0,0,0,0,0|1,0,1]=3 61 B10R0.97 OC(=O)CCCCSC(=N)N Amb1289596 [1,0,0,0,0,0|2,0,0]=3 62 B10R0.97 OC(=O)CCCCSC(=[NH2+])N Amb1156024 [1,0,0,0,0,0|2,0,1]=4 63 B12R0.86 CC(=O)OCCCC(C)C(=O)OC Amb22052650 [0,1,0,0,0,0|3,0,0]=4 64 B12R0.86 COC(=O)[C@H](CCCNC(=N)N)N Amb16232499 [0,1,0,0,0,0|1,0,0]=2 65 B12R0.86 CSC(=O)[C@@H](N)CCCNC(N)=O Amb19930482 [0,1,0,0,0,0|1,1,1]=4 66 B12R0.186 CNC(=N)NCCC[C@@H](N)C(O)=O Amb22747925 [0,1,0,0,0,0|0,0,0]=1 67 B12R0.186 CNC(=N)NCCC[C@@H](N)C(O)=O Amb22799909 [0,1,0,0,0,0|0,0,0]=1 68 B12R0.186 CSC(=N)NCCCC(C(=O)O)N Amb17617832 [0,1,0,0,0,0|0,0,0]=1 69 B12R0.186 CSC(=N)NCCC[C@@H](N)C(O)=O Amb22799911 [0,1,0,0,0,0|0,0,0]=1 70 B12R0.186 CSC(=N)NCCC[C@@H](N)C(O)=O Amb22799912 [0,1,0,0,0,0|0,0,0]=1 71 B12R0.186 CSC(=N)NCCC[C@H](N)C(O)=O Amb22349931 [0,1,0,0,0,0|0,0,0]=1 72 B12R0.186 NC(CCCNC(=O)CI)C(O)=O Amb22731439 [0,1,0,0,0,0|1,0,0]=2 73 B12R0.186 NNC(=N)NCCC[C@H](N)C(O)=O Amb22053012 [0,1,0,0,0,0|1,0,0]=2 74 B12R0.186 N[C@@H](CCCNC(=N)NO)C(O)=O Amb19930455 [0,1,0,0,0,0|1,0,0]=2 75 B12R0.186 N[C@@H](CCCNC(=N)NO)C(O)=O Amb22800944 [0,1,0,0,0,0|1,0,0]=2 76 B12R0.186 N[C@@H](CCCNC(=O)CI)C(O)=O Amb19930302 [0,1,0,0,0,0|1,0,0]=2 77 B12R0.186 N\C(\NCCC[C@@H](N)C(O)=O)=N\O Amb19132635 [0,1,0,0,0,0|1,0,0]=2 78 B12R0.627 N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O Amb22750715 [0,1,0,0,0,0|3,0,0]=4 79 B12R0.627 N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O Amb22388589 [0,1,0,0,0,0|3,0,0]=4 80 B12R0.692 CC(=O)NCCNC(C)(C)C(O)=O Amb18319648 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.104 CC1CCC(CC(N)C(O)=O)O1 Amb24429444 [0,0,0,1,0,0|2,0,1]=4 82 B12R1.104 CC1CCC(C[C@H](N)C(O)=O)O1 Amb24457337 [0,0,0,1,0,0|2,0,1]=4 83 B12R1.104 Cc1[nH]cc(C[C@@H](N)C(O)=O)[n]1 Amb22748498 [0,0,0,1,0,0|0,0,2]=3 84 B12R1.104 Cc1[nH]cc(C[C@H](N)C(O)=O)[n]1 Amb24710097 [0,0,0,1,0,0|0,0,2]=3 85 B12R1.104 Cc1[n]c(CC(N)C(O)=O)[n]o1 Amb18198697 [0,0,0,1,0,0|2,0,1]=4 86 B12R1.104 Cc1[n]c(C[C@@H](N)C(O)=O)c[s]1 Amb25667151 [0,0,0,1,0,0|1,0,2]=4 87 B12R1.104 Cc1c[s]c(CC(N)C(O)=O)[n]1 Amb25149859 [0,0,0,1,0,0|2,0,1]=4 88 B12R1.104 Cc1c[s]c(C[C@@H](N)C(O)=O)[n]1 Amb24450434 [0,0,0,1,0,0|2,0,1]=4 89 B12R1.104 Cc1c[s]c(C[C@H](N)C(O)=O)[n]1 Amb25770644 [0,0,0,1,0,0|2,0,1]=4 90 B12R1.104 Cc1cc(CC(N)C(O)=O)[n][nH]1 Amb18826087 [0,0,0,1,0,0|2,0,1]=4 91 B12R1.104 Cc1coc(CC(N)C(O)=O)[n]1 Amb18825741 [0,0,0,1,0,0|2,0,1]=4 92 B12R1.104 Cc1nc(cs1)CC(C(=O)O)N Amb17065744 [0,0,0,1,0,0|1,0,2]=4 93 B12R1.104 NC(Cc1c[nH]c(Br)[n]1)C(O)=O Amb25104250 [0,0,0,1,0,0|1,0,2]=4 94 B12R1.104 NC(Cc1c[nH]c(O)[n]1)C(O)=O Amb25293793 [0,0,0,1,0,0|1,0,2]=4 95 B12R1.104 NC=1NCC(CC(N)C(O)=O)N1 Amb25343273 [0,0,0,1,0,0|1,0,0]=2 96 B12R1.104 N[C@@H](CC1CCC(=O)O1)C(O)=O Amb25138674 [0,0,0,1,0,0|3,0,0]=4 97 B12R1.104 N[C@@H](CC=1CN=C(S)N1)C(O)=O Amb25258420 [0,0,0,1,0,0|1,0,2]=4 98 B12R1.104 N[C@@H](C[C@@H]1CNC(=N)N1)C(O)=O Amb24626578 [0,0,0,1,0,0|1,0,0]=2 99 B12R1.104 N[C@@H](Cc1c[nH]c(Br)[n]1)C(O)=O Amb24448385 [0,0,0,1,0,0|1,0,2]=4 100 B12R1.104 N[C@@H](Cc1c[nH]c(Cl)[n]1)C(O)=O Amb25265735 [0,0,0,1,0,0|1,0,2]=4 101 B12R1.104 N[C@@H](Cc1c[nH]c(O)[n]1)C(O)=O Amb24740842 [0,0,0,1,0,0|1,0,2]=4 102 B12R1.104 N[C@H](Cc1c[nH]c(I)[n]1)C(O)=O Amb25034861 [0,0,0,1,0,0|1,0,2]=4 103 B12R1.104 Nc1[nH]cc(C[C@H](N)C(O)=O)[n]1 Amb25367260 [0,0,0,1,0,0|1,0,2]=4 104 B12R1.110 CC(=O)OCC1CC(N)C(=O)O1 Amb24634736 [0,0,0,1,0,0|2,0,0]=3 105 B12R1.110 CC(=O)OCC1CC(O)C(=O)O1 Amb24493330 [0,0,0,1,0,0|3,0,0]=4 106 B12R1.110 CC(=O)OC[C@@H]1C[C@H](N)C(=O)O1 Amb25264901 [0,0,0,1,0,0|2,0,0]=3 107 B12R1.225 CC(C1CCCC(=O)C1)C(O)=O Amb25257918 [0,0,0,1,0,0|3,0,0]=4 108 B12R1.225 CC1CC(CCC1)C(N)C(O)=O Amb24271219 [0,0,0,1,0,0|2,0,1]=4 109 B12R1.225 CN1CC(CCC1)C(N)C(O)=O Amb18825355 [0,0,0,1,0,0|3,0,0]=4 110 B12R1.225 C[C@@H]([C@@H]1CCCC(=O)C1)C(O)=O Amb25247387 [0,0,0,1,0,0|3,0,0]=4 111 B12R1.225 C[C@H]([C@@H]1CCCC(=O)C1)C(O)=O Amb25201009 [0,0,0,1,0,0|3,0,0]=4 112 B12R1.225 NC(=O)C(N)C1CC(=O)CCC1 Amb24726940 [0,0,0,1,0,0|3,0,0]=4 113 B12R1.225 NC(C1CC(O)CCC1)C(O)=O Amb25206426 [0,0,0,1,0,0|2,0,1]=4 114 B12R1.225 NC(C1CCCC(=O)C1)C(O)=O Amb25310755 [0,0,0,1,0,0|2,0,0]=3 115 B12R1.225 N[C@@H](C1CCNC(=N)N1)C(O)=O Amb25751181 [0,0,0,1,0,0|1,0,0]=2 116 B12R1.225 N[C@H]([C@@H]1CCNC(=N)N1)C(O)=O Amb24565789 [0,0,0,1,0,0|1,0,0]=2 117 B12R1.225 OC(=O)C(F)C1CC(=O)CCC1 Amb24363145 [0,0,0,1,0,0|3,0,0]=4 118 B12R1.258 CC(=O)N1CC(NCC1)C(O)=O Amb21861338 [0,0,0,1,0,0|3,0,0]=4 119 B12R1.258 CC(=O)N1CC(OCC1)C(O)=O Amb18946244 [0,0,0,1,0,0|3,0,0]=4 120 B12R1.258 CC(=O)N1CCSC(C1)C(=O)O Amb2371184 [0,0,0,1,0,0|3,0,0]=4 121 B12R1.258 CC(=O)N1C[C@@H](CCC1)C(O)=O Amb24062231 [0,0,0,1,0,0|2,0,0]=3 122 B12R1.258 CC(=O)N1C[C@@H](OCC1)C(O)=O Amb25809490 [0,0,0,1,0,0|3,0,0]=4 123 B12R1.258 CC(=O)N1C[C@H](CCC1)C(O)=O Amb24062233 [0,0,0,1,0,0|2,0,0]=3 124 B12R1.258 CC(=O)N1C[C@H](OCC1)C(O)=O Amb24657287 [0,0,0,1,0,0|3,0,0]=4 125 B12R1.258 CC(C)=C1CC(CCC1)C(O)=O Amb25783943 [0,0,0,1,0,0|3,0,0]=4 126 B12R1.258 CC(C)C1CCCC(N1)C(O)=O Amb18198577 [0,0,0,1,0,0|2,0,1]=4 127 B12R1.258 CC(C)[C@H]1CCC[C@H](N1)C(O)=O Amb24635872 [0,0,0,1,0,0|2,0,1]=4 128 B12R1.258 CS(=O)N1C[C@@H](CCC1)C(O)=O Amb24536648 [0,0,0,1,0,0|3,0,0]=4 129 B12R1.258 NC(=N)N1CCCC(C1)C(=O)Cl Amb24062221 [0,0,0,1,0,0|3,0,0]=4 130 B12R1.258 NC(=O)C1CCCC(N1)C(O)=O Amb24588927 [0,0,0,1,0,0|2,0,1]=4 131 B12R1.258 NC(=O)N1CC(CCC1)C(O)=O Amb22586925 [0,0,0,1,0,0|2,0,1]=4 132 B12R1.258 NC(=O)N1C[C@@H](CCC1)C(O)=O Amb24436089 [0,0,0,1,0,0|2,0,1]=4 133 B12R1.258 NC(=O)[C@@H]1CCC[C@@H](N1)C(O)=O Amb24576611 [0,0,0,1,0,0|2,0,1]=4 134 B12R1.258 NC(=S)N1CCCC(C1)C(O)=O Amb25242015 [0,0,0,1,0,0|2,0,1]=4 135 B12R1.258 OC(=O)C1CCCC(N1)C(=O)O Amb13886289 [0,0,0,1,0,0|3,0,0]=4 136 B12R1.258 OC(=O)C1CCCN(C1)C(C)C Amb1110834 [0,0,0,1,0,0|2,0,1]=4 137 B12R1.258 OC(=O)N1CC(CCC1)C(O)=O Amb22274580 [0,0,0,1,0,0|3,0,0]=4 138 B12R1.389 CC(=C)CC1CCC(N1)C(O)=O Amb25697744 [0,0,0,1,0,0|2,0,0]=3 139 B12R1.389 CC(=O)CC1NC(CS1)C(O)=O Amb24453381 [0,0,0,1,0,0|3,0,0]=4 140 B12R1.389 CC(=O)NC1CSC(C1)C(O)=O Amb18190166 [0,0,0,1,0,0|3,0,0]=4 141 B12R1.389 CC(=O)N[C@@H]1CC[C@@H](C1)C(O)=O Amb25783230 [0,0,0,1,0,0|2,0,0]=3 142 B12R1.389 CC(=O)N[C@@H]1CN[C@@H](C1)C(O)=O Amb25324168 [0,0,0,1,0,0|3,0,0]=4 143 B12R1.389 CS(=O)NC1CC(CC1)C(O)=O Amb25177226 [0,0,0,1,0,0|3,0,0]=4 144 B12R1.389 NC(=N)NC=1CC[C@H](N1)C(O)=O Amb25040870 [0,0,0,1,0,0|1,0,2]=4 145 B12R1.389 OC(=O)CC1CC[C@H](N1)C(O)=O Amb25727925 [0,0,0,1,0,0|3,0,0]=4 146 B12R1.389 OC(=O)C[C@H]1CC[C@H](N1)C(O)=O Amb25174934 [0,0,0,1,0,0|3,0,0]=4 147 B12R1.1382 N[C@@H]([C@@H]1CC[C@H]1C(O)=O)C(O)=O Amb25288168 [0,0,0,1,0,0|3,0,0]=4 148 B12R1.1388 CC(=O)N1CCCC1(O)C(O)=O Amb25361015 [0,0,0,1,0,0|2,0,0]=3 149 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(O)=O Amb22504332 [0,0,0,1,0,0|2,0,0]=3 150 B12R1.1388 CC(=O)N1CCSC1(C)C(O)=O Amb22471581 [0,0,0,1,0,0|3,0,0]=4 151 B12R1.1388 CC(=O)[C@@H]1CCC[C@]1(C)C(O)=O Amb24642065 [0,0,0,1,0,0|3,0,0]=4 152 B12R1.1388 CC(C)C1CCCC1(N)C(O)=O Amb25738079 [0,0,0,1,0,0|2,0,1]=4 153 B12R1.1388 CC(C)[C@@H]1CCC[C@@]1(N)C(O)=O Amb24626616 [0,0,0,1,0,0|2,0,1]=4 154 B12R1.1388 CC(C)[C@@H]1CCC[C@]1(N)C(O)=O Amb24628756 [0,0,0,1,0,0|2,0,1]=4 155 B12R1.1388 CC(C)[C@H]1CCC[C@@]1(N)C(O)=O Amb25174821 [0,0,0,1,0,0|2,0,1]=4 156 B12R1.1388 NC(=O)N1CCCC1(O)C(O)=O Amb18647795 [0,0,0,1,0,0|2,0,1]=4 157 B12R1.1388 NC1(CCCC1C(O)=O)C(O)=O Amb24470134 [0,0,0,1,0,0|3,0,0]=4 158 B12R1.1388 N[C@@]1(CCC[C@H]1C(O)=O)C(O)=O Amb25089845 [0,0,0,1,0,0|3,0,0]=4 159 B12R1.1815 CC(C)CC1CCC1(N)C(O)=O Amb23456078 [0,0,0,1,0,0|2,0,1]=4 160 B12R1.1815 CC1(CCC1NC(N)=O)C(O)=O Amb24724615 [0,0,0,1,0,0|2,0,1]=4 161 B12R1.1815 C[C@]1(CC[C@@H]1NC(N)=O)C(O)=O Amb25363342 [0,0,0,1,0,0|2,0,1]=4 162 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [0,0,0,0,1,0|1,0,0]=2 163 B10R0.98 CC(=O)NCC[C@@H](C)C(O)=O Amb25384439 [0,0,0,0,1,0|2,0,0]=3 164 B10R0.98 CC(=O)NCC[C@H](C)C(O)=O Amb25384440 [0,0,0,0,1,0|2,0,0]=3 165 B10R0.98 CC(=O)NOCC(N)C(O)=O Amb25385232 [0,0,0,0,1,0|2,0,0]=3 166 B10R0.98 CC(=O)NSCC(C)C(O)=O Amb21929061 [0,0,0,0,1,0|3,0,0]=4 167 B10R0.98 CC(=O)OCC[C@@H](N)C(O)=O Amb19130288 [0,0,0,0,1,0|2,0,0]=3 168 B10R0.98 CC(C)=C=CCC(N)C(O)=O Amb24710300 [0,0,0,0,1,0|1,0,2]=4 169 B10R0.98 CC(C)=CCCC(C)C(O)=O Amb18644857 [0,0,0,0,1,0|2,0,1]=4 170 B10R0.98 CC(C)=CCCC(O)C(O)=O Amb24762777 [0,0,0,0,1,0|2,0,1]=4 171 B10R0.98 CC(C)=CCC[C@@H](C)C(O)=O Amb25385187 [0,0,0,0,1,0|2,0,1]=4 172 B10R0.98 CC(C)=CCC[C@H](C)C(O)=O Amb25384978 [0,0,0,0,1,0|2,0,1]=4 173 B10R0.98 CC(C)=CCC[C@H](N)C(O)=O Amb25383796 [0,0,0,0,1,0|1,0,1]=3 174 B10R0.98 CC(C)=CSCC(N)C(O)=O Amb25386034 [0,0,0,0,1,0|2,0,1]=4 175 B10R0.98 CC(C)CCC[C@@H](N)C(O)=O Amb22745714 [0,0,0,0,1,0|1,0,1]=3 176 B10R0.98 CC(CCCC(C)N)C(O)=O Amb19337779 [0,0,0,0,1,0|1,0,2]=4 177 B10R0.98 CC(CCCC(C)N)C(O)=O Amb22059651 [0,0,0,0,1,0|1,0,2]=4 178 B10R0.98 CC(CCCC(O)=O)C(O)=O Amb18645273 [0,0,0,0,1,0|3,0,0]=4 179 B10R0.98 CC(CCNC(C)=N)S(C)=O Amb25382103 [0,0,0,0,1,0|3,0,0]=4 180 B10R0.98 NC(=N)NCCC(C(=O)O)N Amb16233058 [0,0,0,0,1,0|1,0,0]=2 181 B10R0.98 NC(=N)NCC[C@@H](N)C(O)=O Amb22745595 [0,0,0,0,1,0|1,0,0]=2 182 B10R0.98 NC(=N)NCC[C@H](N)C(O)=O Amb20240584 [0,0,0,0,1,0|1,0,0]=2 183 B10R0.98 NC(=N)NOC[C@H](N)C(O)=O Amb25383805 [0,0,0,0,1,0|2,0,0]=3 184 B10R0.98 NC(=O)CCCC(C(=O)O)N Amb17614984 [0,0,0,0,1,0|1,0,1]=3 185 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [0,0,0,0,1,0|1,0,1]=3 186 B10R0.98 NC(=O)NCCC(S)C(O)=O Amb25385685 [0,0,0,0,1,0|2,0,1]=4 187 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [0,0,0,0,1,0|1,0,1]=3 188 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [0,0,0,0,1,0|1,0,1]=3 189 B10R0.98 NC(=O)NCC[C@H](S)C(O)=O Amb25385201 [0,0,0,0,1,0|2,0,1]=4 190 B10R0.98 NC(CCCC(O)=O)C(O)=O Amb22740152 [0,0,0,0,1,0|2,0,0]=3 191 B10R0.98 NC(CCCC([O-])=O)C([O-])=O Amb22053651 [0,0,0,0,1,0|2,0,1]=4 192 B10R0.98 NC(CSCC(O)=O)C(O)=O Amb23566716 [0,0,0,0,1,0|3,0,0]=4 193 B10R0.98 NC(N)=NCCC(N)C(O)=O Amb22492813 [0,0,0,0,1,0|1,0,2]=4 194 B10R0.98 N[C@H](CSCC(O)=O)C(O)=O Amb22745445 [0,0,0,0,1,0|3,0,0]=4 195 B10R0.98 OC(=O)CCCC(O)C(O)=O Amb21963897 [0,0,0,0,1,0|3,0,0]=4 196 B10R0.98 OC(=O)CCC[C@H](O)C(O)=O Amb22270000 [0,0,0,0,1,0|3,0,0]=4 197 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N Amb16232500 [0,0,0,0,1,0|3,0,0]=4 198 B12R0.42 CC(=N)NCCCCC(N)C(O)=O Amb22231013 [0,0,0,0,0,1|0,0,0]=1 199 B12R0.42 CC(=N)NCCCCC(N)C(O)=O Amb22730116 [0,0,0,0,0,1|0,0,0]=1 200 B12R0.42 CC(=N)NCCCC[C@@H](C(=O)O)N Amb17616045 [0,0,0,0,0,1|0,0,0]=1 201 B12R0.42 CC(=N)NCCCC[C@@H](N)C(O)=O Amb19132782 [0,0,0,0,0,1|0,0,0]=1 202 B12R0.42 CC(=N)NCCCC[C@@H](N)C(O)=O Amb22800621 [0,0,0,0,0,1|0,0,0]=1 203 B12R0.42 CC(=O)NCCCC[C@@H](N)C(O)=O Amb24323525 [0,0,0,0,0,1|1,0,0]=2 204 B12R0.42 CC(=[NH2+])NCCCC[C@@H](N)C(O)=O Amb22799859 [0,0,0,0,0,1|0,0,1]=2 205 B12R0.42 CC(C)NCCCC[C@@H](N)C(O)=O Amb22801133 [0,0,0,0,0,1|1,0,1]=3 206 B12R0.42 NC(=N)NCCCC[C@@H](C(=O)O)N Amb16183863 [0,0,0,0,0,1|1,0,0]=2 207 B12R0.42 NC(=N)NCCCC[C@@H](N)C(O)=O Amb19132515 [0,0,0,0,0,1|1,0,0]=2 208 B12R0.42 NC(=O)NCCCC[C@H](C(=O)O)N Amb16183831 [0,0,0,0,0,1|1,0,1]=3 209 B12R0.42 N[C@@H](CCCCCC(O)=O)C(O)=O Amb17678794 [0,0,0,0,0,1|3,0,0]=4 210 B12R0.42 OC(=O)CCCCCC(C(=O)O)N Amb10807509 [0,0,0,0,0,1|3,0,0]=4 211 B9R0.2 CC(=O)CCCCCC=O Amb25290329 [2,0,0,0,0,0|2,0,0]=4 212 B9R0.2 CC(=O)NCCCCC=O Amb24524516 [2,0,0,0,0,0|1,0,0]=3 213 B9R0.2 CC(=O)NCCCOC=O Amb25340400 [2,0,0,0,0,0|2,0,0]=4 214 B9R0.2 CC(C)=CCCCCC=O Amb18643636 [2,0,0,0,0,0|2,0,0]=4 215 B9R0.2 CCCCCCCC(O)=O Amb22352272 [2,0,0,0,0,0|1,0,1]=4 216 B9R0.2 CCCCCCCC(O)=O Amb22353407 [2,0,0,0,0,0|1,0,1]=4 217 B9R0.2 CCCCCCC[13C](O)=O Amb20243497 [2,0,0,0,0,0|1,0,1]=4 218 B9R0.2 CCCCCCNC(C)=N Amb25288761 [2,0,0,0,0,0|1,0,1]=4 219 B9R0.2 CCCCCC[13CH2]C(O)=O Amb22367410 [2,0,0,0,0,0|1,0,1]=4 220 B9R0.2 CCCCCC[13CH2][13C](O)=O Amb22367490 [2,0,0,0,0,0|1,0,1]=4 221 B9R0.2 CCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22351826 [2,0,0,0,0,0|1,0,1]=4 222 B9R0.2 CCNCCCCC(O)=O Amb24385094 [2,0,0,0,0,0|0,0,1]=3 223 B9R0.2 CCNCCNCC(O)=O Amb24568313 [2,0,0,0,0,0|1,0,1]=4 224 B9R0.2 CCNCCOCC(O)=O Amb18111801 [2,0,0,0,0,0|1,0,1]=4 225 B9R0.2 CNCCCCCC(O)=O Amb25704769 [2,0,0,0,0,0|2,0,0]=4 226 B9R0.2 COCCCCCC(=O)O Amb10607872 [2,0,0,0,0,0|2,0,0]=4 227 B9R0.2 COCCCCNC(C)=N Amb25334905 [2,0,0,0,0,0|2,0,0]=4 228 B9R0.2 CONCCCCC(N)=O Amb24414497 [2,0,0,0,0,0|2,0,0]=4 229 B9R0.2 CONCCCCC(O)=O Amb25694999 [2,0,0,0,0,0|1,0,0]=3 230 B9R0.2 CSCCCCNC(C)=N Amb25075050 [2,0,0,0,0,0|2,0,0]=4 231 B9R0.2 CSSCCCCC(O)=O Amb24429106 [2,0,0,0,0,0|2,0,0]=4 232 B9R0.2 C[13CH2]CCCCCC(O)=O Amb22367488 [2,0,0,0,0,0|1,0,1]=4 233 B9R0.2 C\C=C/CCCCC(C)=O Amb25129045 [2,0,0,0,0,0|2,0,0]=4 234 B9R0.2 C\C=C/COCCC(O)=O Amb24377336 [2,0,0,0,0,0|2,0,0]=4 235 B9R0.2 C\C=C\CCCCC(C)=O Amb25252247 [2,0,0,0,0,0|2,0,0]=4 236 B9R0.2 C\C=C\CCCCC(O)=O Amb18643887 [2,0,0,0,0,0|1,0,0]=3 237 B9R0.2 C\C=C\COCCC(O)=O Amb24478110 [2,0,0,0,0,0|2,0,0]=4 238 B9R0.2 NC(=N)NCCCCCO Amb19823705 [2,0,0,0,0,0|1,0,1]=4 239 B9R0.2 OCCCCCNC(=N)N Amb2234594 [2,0,0,0,0,0|1,0,1]=4 240 B9R0.2 OCCCCCNC(=O)C Amb15769972 [2,0,0,0,0,0|1,0,1]=4 241 B9R0.2 [13CH3]CCCCCCC(O)=O Amb22367137 [2,0,0,0,0,0|1,0,1]=4 242 B9R0.2 [13CH3][13CH2]CCCCCC(O)=O Amb22367489 [2,0,0,0,0,0|1,0,1]=4 243 B9R0.46 C\C=C\CCCC(C)C=O Amb18643631 [2,0,0,0,0,0|2,0,0]=4 244 B9R0.55 CC(=N)NCCCC(N)=O Amb25729267 [2,0,0,0,0,0|0,0,1]=3 245 B9R0.55 CC(=N)NCCNC(N)=O Amb24425058 [2,0,0,0,0,0|1,0,1]=4 246 B9R0.55 CC(N)CCCNC(C)=O Amb24481145 [2,0,0,0,0,0|1,0,1]=4 247 B9R0.55 CC(O)CCCNC(N)=N Amb24481150 [2,0,0,0,0,0|2,0,0]=4 248 B9R0.55 NC(=O)CCCNC(N)=N Amb24477974 [2,0,0,0,0,0|1,0,1]=4 249 B9R0.47 C#CCCC[C@@H](N)C(O)=O Amb24077358 [2,0,0,0,0,0|0,0,2]=4 250 B9R0.47 C#CCCC[C@H](N)C(O)=O Amb24088878 [2,0,0,0,0,0|0,0,2]=4 251 B9R0.47 C=CCCCC(Cl)C(O)=O Amb18645742 [2,0,0,0,0,0|1,0,1]=4 252 B9R0.47 C=CCCCC(N)C(O)=O Amb22002149 [2,0,0,0,0,0|0,0,1]=3 253 B9R0.47 C=CCCC[C@@H](N)C(N)=O Amb25824644 [2,0,0,0,0,0|1,0,1]=4 254 B9R0.47 C=CCCC[C@@H](N)C(O)=O Amb22831130 [2,0,0,0,0,0|0,0,1]=3 255 B9R0.47 C=CCCC[C@@H](O)C(O)=O Amb24714998 [2,0,0,0,0,0|1,0,1]=4 256 B9R0.47 C=CCCC[C@H](O)C(O)=O Amb24763769 [2,0,0,0,0,0|1,0,1]=4 257 B9R0.47 C=CCOC[C@H](N)C(O)=O Amb24713287 [2,0,0,0,0,0|1,0,1]=4 258 B9R0.47 C=CCSC[C@@H](N)C(O)=O Amb22745979 [2,0,0,0,0,0|1,0,1]=4 259 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231426 [2,0,0,0,0,0|1,0,1]=4 260 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231427 [2,0,0,0,0,0|1,0,1]=4 261 B9R0.47 CC#CCC[C@@H](N)C(O)=O Amb25835847 [2,0,0,0,0,0|0,0,2]=4 262 B9R0.47 CC(CCCC=C)C(O)=O Amb18643893 [2,0,0,0,0,0|1,0,1]=4 263 B9R0.47 CC=C=CCC(N)C(O)=O Amb24427636 [2,0,0,0,0,0|0,0,2]=4 264 B9R0.47 CCCCCC(Br)C(O)=O Amb18130346 [2,0,0,0,0,0|1,0,1]=4 265 B9R0.47 CCCCCC(C(=O)O)F Amb17593693 [2,0,0,0,0,0|1,0,1]=4 266 B9R0.47 CCCCCC(Cl)C(O)=O Amb18646187 [2,0,0,0,0,0|1,0,1]=4 267 B9R0.47 CCCCCC(N)C(C)=O Amb24446263 [2,0,0,0,0,0|1,0,1]=4 268 B9R0.47 CCCCCC(N)C(N)=O Amb25843277 [2,0,0,0,0,0|1,0,1]=4 269 B9R0.47 CCCCCC(O)C(O)=O Amb17778103 [2,0,0,0,0,0|1,0,1]=4 270 B9R0.47 CCCCC[C@@H](C(=O)O)C Amb10844510 [2,0,0,0,0,0|1,0,1]=4 271 B9R0.47 CCCCC[C@@H](N)C(O)=O Amb22745982 [2,0,0,0,0,0|0,0,1]=3 272 B9R0.47 CCCCC[C@H](C(=O)O)C Amb10844515 [2,0,0,0,0,0|1,0,1]=4 273 B9R0.47 CCCCC[C@H](N)C(N)=O Amb24502148 [2,0,0,0,0,0|1,0,1]=4 274 B9R0.47 CCCCC[C@H](N)C(O)=O Amb17943098 [2,0,0,0,0,0|0,0,1]=3 275 B9R0.47 CCCCC[C@H](O)C(O)=O Amb25728353 [2,0,0,0,0,0|1,0,1]=4 276 B9R0.47 CCCOCC(N)C(O)=O Amb24621740 [2,0,0,0,0,0|1,0,1]=4 277 B9R0.47 CCCSC[C@@H](N)C(O)=O Amb18792511 [2,0,0,0,0,0|1,0,1]=4 278 B9R0.47 CCSCCC(C(=O)O)N Amb2137050 [2,0,0,0,0,0|1,0,1]=4 279 B9R0.47 CCSCCC(N)C(O)=O Amb22904200 [2,0,0,0,0,0|1,0,1]=4 280 B9R0.47 CCSCC[C@@H](C(=O)O)N Amb17613844 [2,0,0,0,0,0|1,0,1]=4 281 B9R0.47 CCSCC[C@H](C(=O)O)N Amb17613843 [2,0,0,0,0,0|1,0,1]=4 282 B9R0.47 CC[Se]CCC(C(=O)O)N Amb17620056 [2,0,0,0,0,0|1,0,1]=4 283 B9R0.47 CNCCCC(C)C(O)=O Amb25313872 [2,0,0,0,0,0|1,0,0]=3 284 B9R0.47 CNCCCC(N)C(O)=O Amb18644279 [2,0,0,0,0,0|0,0,0]=2 285 B9R0.47 CNCCC[C@H](N)C(O)=O Amb24377155 [2,0,0,0,0,0|0,0,0]=2 286 B9R0.47 CNCCOC(C)C(O)=O Amb18630742 [2,0,0,0,0,0|2,0,0]=4 287 B9R0.47 CNCCSC(F)C(O)=O Amb24601985 [2,0,0,0,0,0|2,0,0]=4 288 B9R0.47 CNOCCC(N)C(O)=O Amb24477008 [2,0,0,0,0,0|1,0,0]=3 289 B9R0.47 COCCCC(N)C(C)=O Amb24628741 [2,0,0,0,0,0|2,0,0]=4 290 B9R0.47 COCCCC(N)C(O)=O Amb20628315 [2,0,0,0,0,0|1,0,0]=3 291 B9R0.47 COCCCC(N)C(O)=O Amb22058809 [2,0,0,0,0,0|1,0,0]=3 292 B9R0.47 COCCC[C@@H](N)C(O)=O Amb25081508 [2,0,0,0,0,0|1,0,0]=3 293 B9R0.47 COCCC[C@H](N)C(O)=O Amb25378737 [2,0,0,0,0,0|1,0,0]=3 294 B9R0.47 COCSCC(N)C(O)=O Amb25287934 [2,0,0,0,0,0|2,0,0]=4 295 B9R0.47 COCSC[C@@H](N)C(O)=O Amb25225221 [2,0,0,0,0,0|2,0,0]=4 296 B9R0.47 COCSC[C@H](N)C(O)=O Amb25275942 [2,0,0,0,0,0|2,0,0]=4 297 B9R0.47 CONCCC(N)C(O)=O Amb25311314 [2,0,0,0,0,0|1,0,0]=3 298 B9R0.47 CSCCCC(C(=O)O)N Amb17594057 [2,0,0,0,0,0|1,0,0]=3 299 B9R0.47 CSCCCC(O)C(O)=O Amb25169340 [2,0,0,0,0,0|2,0,0]=4 300 B9R0.47 CSCSC[C@@H](N)C(O)=O Amb25360905 [2,0,0,0,0,0|2,0,0]=4 301 B9R0.47 CSSCC[C@H](N)C(O)=O Amb25111241 [2,0,0,0,0,0|2,0,0]=4 302 B9R0.47 C\C=C/SC[C@H](N)C(O)=O Amb24602399 [2,0,0,0,0,0|1,0,1]=4 303 B9R0.47 C\C=C\SCC(N)C(O)=O Amb24355928 [2,0,0,0,0,0|1,0,1]=4 304 B9R0.47 NC(CCCC#N)C(O)=O Amb25242567 [2,0,0,0,0,0|0,0,2]=4 305 B9R0.47 NC(CCCCCl)C(O)=O Amb25141944 [2,0,0,0,0,0|1,0,1]=4 306 B9R0.47 NC(CCCCS)C(O)=O Amb25363159 [2,0,0,0,0,0|1,0,1]=4 307 B9R0.47 NC(CCCNO)C(O)=O Amb24722710 [2,0,0,0,0,0|1,0,0]=3 308 B9R0.47 NC(CCC[13CH2][15NH2])C(O)=O Amb22351283 [2,0,0,0,0,0|0,0,2]=4 309 B9R0.47 NC(CCNC=O)C(O)=O Amb24355941 [2,0,0,0,0,0|1,0,0]=3 310 B9R0.47 NC(CCNCO)C(O)=O Amb25701616 [2,0,0,0,0,0|1,0,1]=4 311 B9R0.47 NCCCCC(N)C(O)=O Amb22349470 [2,0,0,0,0,0|0,0,2]=4 312 B9R0.47 NCCCCC(N)C(O)=O Amb22489521 [2,0,0,0,0,0|0,0,2]=4 313 B9R0.47 NCCCCC(N)[13C](O)=O Amb22338743 [2,0,0,0,0,0|0,0,2]=4 314 B9R0.47 NCCCCC([15NH2])C(O)=O Amb22351358 [2,0,0,0,0,0|0,0,2]=4 315 B9R0.47 NCCCC[13CH](N)C(O)=O Amb22351886 [2,0,0,0,0,0|0,0,2]=4 316 B9R0.47 NCCCC[13CH](N)[13C](O)=O Amb22336528 [2,0,0,0,0,0|0,0,2]=4 317 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22744766 [2,0,0,0,0,0|0,0,2]=4 318 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22746247 [2,0,0,0,0,0|0,0,2]=4 319 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22750565 [2,0,0,0,0,0|0,0,2]=4 320 B9R0.47 NCCCC[C@H](C(=O)O)N Amb10072417 [2,0,0,0,0,0|0,0,2]=4 321 B9R0.47 NCCCC[C@H]([15NH2])C(O)=O Amb22354049 [2,0,0,0,0,0|0,0,2]=4 322 B9R0.47 NNCCCC(N)C(O)=O Amb24378076 [2,0,0,0,0,0|0,0,1]=3 323 B9R0.47 NNCCC[C@H](N)C(O)=O Amb24623157 [2,0,0,0,0,0|0,0,1]=3 324 B9R0.47 NOCCCC(N)C(O)=O Amb24117962 [2,0,0,0,0,0|1,0,1]=4 325 B9R0.47 N[13CH2]CCCC(N)C(O)=O Amb22367560 [2,0,0,0,0,0|0,0,2]=4 326 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337497 [2,0,0,0,0,0|0,0,2]=4 327 B9R0.47 N[14CH2][14CH2][14CH2][14CH2][14CH](N)[14C](O)=O Amb22349598 [2,0,0,0,0,0|0,0,2]=4 328 B9R0.47 N[C@@H](C(=O)O)CSCC=C Amb10843878 [2,0,0,0,0,0|1,0,1]=4 329 B9R0.47 N[C@@H](CCCCO)C(O)=O Amb22900800 [2,0,0,0,0,0|1,0,1]=4 330 B9R0.47 N[C@@H](CCCCS)C(O)=O Amb25729289 [2,0,0,0,0,0|1,0,1]=4 331 B9R0.47 N[C@@H](CCCC[NH3+])C(O)=O Amb22801419 [2,0,0,0,0,0|0,0,2]=4 332 B9R0.47 N[C@@H](CCCNO)C(O)=O Amb25075377 [2,0,0,0,0,0|1,0,0]=3 333 B9R0.47 N[C@@H](CCNC#N)C(O)=O Amb24505130 [2,0,0,0,0,0|0,0,2]=4 334 B9R0.47 N[C@@H](CCNC=O)C(O)=O Amb24692356 [2,0,0,0,0,0|1,0,0]=3 335 B9R0.47 N[C@@H](CCNCO)C(O)=O Amb24760325 [2,0,0,0,0,0|1,0,1]=4 336 B9R0.47 O=CCCCC(C(=O)O)N Amb17619026 [2,0,0,0,0,0|1,0,0]=3 337 B9R0.47 OC(CCNC=O)C(O)=O Amb24480985 [2,0,0,0,0,0|2,0,0]=4 338 B9R0.47 O[C@@H](CCNC=O)C(O)=O Amb24481075 [2,0,0,0,0,0|2,0,0]=4 339 B9R0.47 [15NH2]CCCCC([15NH2])C(O)=O Amb22363194 [2,0,0,0,0,0|0,0,2]=4 340 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(O)=O Amb22353587 [2,0,0,0,0,0|0,0,2]=4 341 B11R0.42 C=CCCCCC[C@@H](N)C(O)=O Amb22745701 [1,1,0,0,0,0|1,0,1]=4 342 B11R0.42 CCCCCCCC(C(=O)O)N Amb2229635 [1,1,0,0,0,0|1,0,1]=4 343 B11R0.42 CCCCCCC[C@@H](N)C(O)=O Amb22747720 [1,1,0,0,0,0|1,0,1]=4 344 B11R0.42 CCCCCSC[C@H](N)C(O)=O Amb22451173 [1,1,0,0,0,0|1,0,1]=4 345 B11R0.42 CCCCSCC[C@H](C(=O)O)N Amb17610162 [1,1,0,0,0,0|1,0,1]=4 346 B11R0.42 CCNCCCCC(C(=O)O)N Amb17614099 [1,1,0,0,0,0|0,0,1]=3 347 B11R0.42 CCOCCSC[C@@H](N)C(O)=O Amb19132222 [1,1,0,0,0,0|1,0,1]=4 348 B11R0.42 NC(CCCCNC=O)C(O)=O Amb22362874 [1,1,0,0,0,0|1,0,0]=3 349 B11R0.42 N[C@@H](CCCCNC=O)C(O)=O Amb22799599 [1,1,0,0,0,0|1,0,0]=3 350 B11R0.141 CCNC(=O)CC[C@@H](N)C(O)=O Amb19134042 [1,1,0,0,0,0|0,0,2]=4 351 B11R0.6 CC(C)=CCC[C@@H](C)CC(O)=O Amb22338417 [1,1,0,0,0,0|2,0,0]=4 352 B11R0.6 CC(C)=CCC[C@H](C)CC(O)=O Amb22336425 [1,1,0,0,0,0|2,0,0]=4 353 B11R0.111 COC(=O)CCCCCC(=O)O Amb13887311 [1,1,0,0,0,0|2,0,0]=4 354 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb10602546 [0,1,0,0,1,0|2,0,0]=4 355 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb17594468 [0,1,0,0,1,0|2,0,0]=4 356 B11R0.150 N[C@H](C(=O)O)CC[C@H](C(=O)O)N Amb10603182 [0,1,0,0,1,0|2,0,0]=4 357 B13R0.204 CCC(=O)NCCCC[C@@H](N)C(O)=O Amb24184174 [0,1,0,0,0,1|1,0,0]=3 358 B13R0.204 NC(CCCCNC(=O)CI)C(O)=O Amb22733147 [0,1,0,0,0,1|1,0,0]=3 359 B13R0.204 N[C@@H](CCCCNC(=O)CI)C(O)=O Amb19930301 [0,1,0,0,0,1|1,0,0]=3 360 B13R0.353 CN(C)C(=N)NCCC[C@@H](N)C(O)=O Amb19131962 [0,1,0,0,0,1|2,0,0]=4 361 B13R0.353 CN(C)C(=N)NCCC[C@H](N)C(O)=O Amb22352114 [0,1,0,0,0,1|2,0,0]=4 362 B13R0.1406 CC(=N)NCC#CCC(C)(N)C(O)=O Amb25232596 [0,1,0,0,0,1|0,0,1]=3 363 B13R0.261 CCOC(=O)[C@H](N)CCCNC(N)=N Amb22230508 [0,2,0,0,0,0|1,0,0]=3 364 B13R0.91 C=CCC(=N)NCCC[C@H](N)C(O)=O Amb19930620 [0,2,0,0,0,0|0,0,0]=2 365 B13R0.1121 CNC(NC)=NCCC[C@@H](N)C(O)=O Amb19131964 [0,2,0,0,0,0|0,0,2]=4 366 B11R1.23 NC(CO)C1CC(=O)NCC1 Amb25801188 [1,0,0,1,0,0|1,0,1]=4 367 B11R1.159 CN(C)N1CCCC(N)C1=O Amb25302801 [1,0,0,1,0,0|2,0,0]=4 368 B11R1.266 O=CC1CCCN(C1)C(=O)C Amb17080480 [1,0,0,1,0,0|2,0,0]=4 369 B11R1.35 NC(CC1CC=CC1)C(N)=O Amb25208605 [1,0,0,1,0,0|2,0,0]=4 370 B11R1.35 NC(CC1CCNC1)C(O)=O Amb22002696 [1,0,0,1,0,0|0,0,1]=3 371 B11R1.35 NC(CC1CCOC1)C(O)=O Amb18979090 [1,0,0,1,0,0|1,0,1]=4 372 B11R1.35 NC(Cc1c[15nH]c[15n]1)C(O)=O Amb22367418 [1,0,0,1,0,0|0,0,2]=4 373 B11R1.35 NC(Cc1c[nH]c[n]1)[13C](O)=O Amb22367519 [1,0,0,1,0,0|0,0,2]=4 374 B11R1.35 N[C@@H](CC1CCNC1)C(O)=O Amb22228974 [1,0,0,1,0,0|0,0,1]=3 375 B11R1.35 N[C@@H](CC1CCOC1)C(O)=O Amb18797502 [1,0,0,1,0,0|1,0,1]=4 376 B11R1.35 N[C@@H](Cc1c[nH]c[n]1)C(O)=O Amb22750687 [1,0,0,1,0,0|0,0,2]=4 377 B11R1.35 N[C@H](CC1CCNC1)C(O)=O Amb22228965 [1,0,0,1,0,0|0,0,1]=3 378 B11R1.35 [15NH2]C(Cc1c[nH]c[n]1)C(O)=O Amb22367419 [1,0,0,1,0,0|0,0,2]=4 379 B11R1.35 [15NH2][13C@@H]([13CH2][13c]1[13cH][15nH][13cH][15n]1)[13C](O)=O Amb22353557 [1,0,0,1,0,0|0,0,2]=4 380 B11R1.35 [15NH2][13C@@H]([13CH2][13c]1[13cH][nH][13cH][n]1)[13C](O)=O Amb22338897 [1,0,0,1,0,0|0,0,2]=4 381 B11R1.35 [15NH2][C@@H](Cc1c[15nH]c[15n]1)C(O)=O Amb22362613 [1,0,0,1,0,0|0,0,2]=4 382 B11R1.35 [15NH2][C@@H](Cc1c[nH]c[n]1)C(O)=O Amb22339013 [1,0,0,1,0,0|0,0,2]=4 383 B11R1.36 CC(C(=O)O)C1CCNCC1 Amb10607938 [1,0,0,1,0,0|1,0,1]=4 384 B11R1.36 CC(C(=O)O)C1CCNCC1 Amb13949185 [1,0,0,1,0,0|1,0,1]=4 385 B11R1.36 NC(C(O)=O)N1CCNCC1 Amb24501423 [1,0,0,1,0,0|1,0,1]=4 386 B11R1.36 NC(C1CC=CCC1)C(N)=O Amb18954272 [1,0,0,1,0,0|2,0,0]=4 387 B11R1.36 NC(C1CCCOC1)C(O)=O Amb22011581 [1,0,0,1,0,0|2,0,0]=4 388 B11R1.36 NC(C1CCCSC1)C(O)=O Amb18197110 [1,0,0,1,0,0|2,0,0]=4 389 B11R1.36 NC(C1CCNCC1)C(O)=O Amb18199899 [1,0,0,1,0,0|0,0,1]=3 390 B11R1.36 NC(C1CCNCC1)C(O)=O Amb24081007 [1,0,0,1,0,0|0,0,1]=3 391 B11R1.36 NC(C1CCOCC1)C(O)=O Amb21858398 [1,0,0,1,0,0|1,0,1]=4 392 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 Amb16232103 [1,0,0,1,0,0|1,0,1]=4 393 B11R1.36 N[C@@H](C1CCCC=C1)C(O)=O Amb25339911 [1,0,0,1,0,0|1,0,1]=4 394 B11R1.36 N[C@@H](C1CCCCC1)C(O)=O Amb20240588 [1,0,0,1,0,0|1,0,1]=4 395 B11R1.36 N[C@@H](C1CCCOC1)C(O)=O Amb25847027 [1,0,0,1,0,0|2,0,0]=4 396 B11R1.36 N[C@@H](C1CCOCC1)C(O)=O Amb23399650 [1,0,0,1,0,0|1,0,1]=4 397 B11R1.36 N[C@@H]([C@H]1CCCC=C1)C(O)=O Amb25227486 [1,0,0,1,0,0|1,0,1]=4 398 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 Amb10603259 [1,0,0,1,0,0|1,0,1]=4 399 B11R1.36 N[C@H](C1CCCCC1)C(O)=O Amb20242426 [1,0,0,1,0,0|1,0,1]=4 400 B11R1.36 N[C@H](C1CCCOC1)C(O)=O Amb25144455 [1,0,0,1,0,0|2,0,0]=4 401 B11R1.36 N[C@H](C1CCNCC1)C(O)=O Amb25111066 [1,0,0,1,0,0|0,0,1]=3 402 B11R1.36 OC(=O)C(C1CCCNC1)N Amb13885812 [1,0,0,1,0,0|2,0,0]=4 403 B11R1.36 OC(=O)C(F)C1CCNCC1 Amb24409024 [1,0,0,1,0,0|1,0,1]=4 404 B11R1.36 OC(C1CC=CCC1)C(O)=O Amb18952026 [1,0,0,1,0,0|2,0,0]=4 405 B11R1.36 OC(C1CCNCC1)C(O)=O Amb18830397 [1,0,0,1,0,0|1,0,1]=4 406 B11R1.89 CC(C1CCNC1=O)C(O)=O Amb25178585 [1,0,0,1,0,0|2,0,0]=4 407 B11R1.89 CN1CCCC1C(N)C(O)=O Amb25683390 [1,0,0,1,0,0|2,0,0]=4 408 B11R1.89 NC(C1CCCC1=O)C(O)=O Amb24595573 [1,0,0,1,0,0|2,0,0]=4 409 B11R1.124 C=CC[C@H]1CC[C@H](N1)C(O)=O Amb24512707 [1,0,0,1,0,0|1,0,1]=4 410 B11R1.124 CCCC1CCC(N1)C(O)=O Amb24423990 [1,0,0,1,0,0|1,0,1]=4 411 B11R1.124 CCC[C@H]1CC[C@@H](N1)C(O)=O Amb25338321 [1,0,0,1,0,0|1,0,1]=4 412 B11R1.124 CCNC1CC(CC1)C(O)=O Amb23454120 [1,0,0,1,0,0|1,0,1]=4 413 B11R1.124 COCC1CCC(N1)C(O)=O Amb24441382 [1,0,0,1,0,0|2,0,0]=4 414 B11R1.124 COC[C@@H]1CC[C@H](N1)C(O)=O Amb24547011 [1,0,0,1,0,0|2,0,0]=4 415 B11R1.124 COC[C@H]1CC[C@H](N1)C(O)=O Amb25369771 [1,0,0,1,0,0|2,0,0]=4 416 B11R1.124 OC(=O)[C@H]1C[C@H](CC1)NC=O Amb24630669 [1,0,0,1,0,0|2,0,0]=4 417 B11R1.231 CCCC[C@@H]1C[C@H](N)C(=O)O1 Amb25263992 [1,0,0,1,0,0|1,0,1]=4 418 B11R1.231 CCCC[C@H]1C[C@H](N)C(=O)O1 Amb25179026 [1,0,0,1,0,0|1,0,1]=4 419 B11R1.332 NC(CCC1CCC1)C(O)=O Amb24765840 [1,0,0,1,0,0|1,0,1]=4 420 B11R1.332 N[C@@H](CCC1CCC1)C(O)=O Amb24765842 [1,0,0,1,0,0|1,0,1]=4 421 B11R1.332 N[C@H](CCC1CCC1)C(O)=O Amb24765843 [1,0,0,1,0,0|1,0,1]=4 422 B11R1.421 CC[C@@H]1CCC[C@@]1(N)C(O)=O Amb25227403 [1,0,0,1,0,0|1,0,1]=4 423 B11R1.421 CC[C@@H]1CCC[C@]1(N)C(O)=O Amb25295379 [1,0,0,1,0,0|1,0,1]=4 424 B11R1.421 CC[C@H]1CCC[C@@]1(N)C(O)=O Amb24557381 [1,0,0,1,0,0|1,0,1]=4 425 B11R1.421 CC[C@H]1CCC[C@]1(N)C(O)=O Amb24571144 [1,0,0,1,0,0|1,0,1]=4 426 B11R1.497 CC1CCCC[C@H](N1)C(O)=O Amb25119161 [1,0,0,1,0,0|1,0,1]=4 427 B11R1.497 CC=1NCCCC(N1)C(O)=O Amb25807925 [1,0,0,1,0,0|0,0,1]=3 428 B11R1.497 CC=1NCCC[C@H](N1)C(O)=O Amb25060168 [1,0,0,1,0,0|0,0,1]=3 429 B11R1.497 N=C1NC(CCCN1)C(O)=O Amb25321896 [1,0,0,1,0,0|0,0,0]=2 430 B11R1.497 OC(=O)C1CCCCC(=O)N1 Amb19515429 [1,0,0,1,0,0|2,0,0]=4 431 B11R1.497 OC(=O)[C@@H]1CCCNC(=O)N1 Amb24692630 [1,0,0,1,0,0|1,0,0]=3 432 B11R1.520 CC1NCCCC1(N)C(N)=O Amb24550032 [1,0,0,1,0,0|1,0,1]=4 433 B11R1.520 C[C@@H]1CCCC[C@]1(N)C(O)=O Amb25263952 [1,0,0,1,0,0|1,0,1]=4 434 B11R1.520 C[C@H]1CCCC[C@@]1(N)C(O)=O Amb24607337 [1,0,0,1,0,0|1,0,1]=4 435 B11R1.706 OC(=O)C1CCC/C=C\CC1 Amb17779162 [1,0,0,1,0,0|2,0,0]=4 436 B11R1.737 OC(=O)C1(N)CCCCCC1 Amb1841034 [1,0,0,1,0,0|1,0,1]=4 437 B11R1.157 C=C1CC(CC(O)=O)CCC1 Amb23589688 [1,0,0,1,0,0|2,0,0]=4 438 B11R1.157 CC(=O)NC1CC(=O)CCC1 Amb24598276 [1,0,0,1,0,0|2,0,0]=4 439 B11R1.157 CC=1CCCC(CC(C)=O)N1 Amb24486160 [1,0,0,1,0,0|2,0,0]=4 440 B11R1.157 CC=1CCCC(CC(O)=O)C1 Amb25274980 [1,0,0,1,0,0|2,0,0]=4 441 B11R1.157 NC(=O)CC1CC(=O)NCC1 Amb24627882 [1,0,0,1,0,0|2,0,0]=4 442 B11R1.157 OC(=O)CC1CC(=O)NCC1 Amb18200020 [1,0,0,1,0,0|1,0,0]=3 443 B11R1.157 OC(=O)CN1CCNC(=O)C1 Amb2235553 [1,0,0,1,0,0|2,0,0]=4 444 B11R1.178 CC(=C)N1CCC[C@H]1C(O)=O Amb25837461 [1,0,0,1,0,0|1,0,0]=3 445 B11R1.178 CC(=O)N1CCCC1C(C)=O Amb23442745 [1,0,0,1,0,0|2,0,0]=4 446 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Amb10072246 [1,0,0,1,0,0|1,0,0]=3 447 B11R1.178 CC(=O)N1CCC[C@@H]1C(N)=O Amb22756686 [1,0,0,1,0,0|2,0,0]=4 448 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Amb1154281 [1,0,0,1,0,0|1,0,0]=3 449 B11R1.178 CC(=O)N1CCSC1C(O)=O Amb18647907 [1,0,0,1,0,0|2,0,0]=4 450 B11R1.178 CC(=O)N1COC[C@@H]1C(O)=O Amb24546404 [1,0,0,1,0,0|2,0,0]=4 451 B11R1.178 CC(=O)N1CSC[C@@H]1C(O)=O Amb18795582 [1,0,0,1,0,0|2,0,0]=4 452 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O Amb17608078 [1,0,0,1,0,0|2,0,0]=4 453 B11R1.178 CC(=O)N1OCCC1C(O)=O Amb25779397 [1,0,0,1,0,0|2,0,0]=4 454 B11R1.178 CC(=O)N1OCC[C@H]1C(O)=O Amb25065333 [1,0,0,1,0,0|2,0,0]=4 455 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(O)=O Amb23558958 [1,0,0,1,0,0|2,0,0]=4 456 B11R1.178 CC(C)N1CCC[C@@H]1C(O)=O Amb22587572 [1,0,0,1,0,0|1,0,1]=4 457 B11R1.178 CC(C)N1CCC[C@@H]1C(O)=O Amb23385291 [1,0,0,1,0,0|1,0,1]=4 458 B11R1.178 CC(Cl)N1CCCC1C(O)=O Amb24716320 [1,0,0,1,0,0|1,0,1]=4 459 B11R1.178 CS(=O)N1CCC[C@@H]1C(O)=O Amb25347319 [1,0,0,1,0,0|2,0,0]=4 460 B11R1.178 C[C@@H](Cl)N1CCC[C@H]1C(O)=O Amb24564235 [1,0,0,1,0,0|1,0,1]=4 461 B11R1.178 NC(=N)N1CCCC1C(O)=O Amb22330609 [1,0,0,1,0,0|1,0,0]=3 462 B11R1.178 NC(=N)N1CCC[C@H]1C(O)=O Amb22586483 [1,0,0,1,0,0|1,0,0]=3 463 B11R1.178 NC(=O)C1CCCN1C(N)=N Amb18796984 [1,0,0,1,0,0|2,0,0]=4 464 B11R1.178 NC(=O)N1CCCC1C(=O)O Amb1151099 [1,0,0,1,0,0|1,0,1]=4 465 B11R1.178 NC(=O)N1CCC[C@@H]1C(O)=O Amb18787750 [1,0,0,1,0,0|1,0,1]=4 466 B11R1.178 NC(=O)[C@@H]1CCCN1C(N)=N Amb25685266 [1,0,0,1,0,0|2,0,0]=4 467 B11R1.178 OC(=O)C1CCCN1C(=O)Cl Amb25321978 [1,0,0,1,0,0|2,0,0]=4 468 B11R1.178 OC(=O)N1CCCC1C(O)=O Amb24060622 [1,0,0,1,0,0|2,0,0]=4 469 B11R1.178 OC(=O)[C@@H]1CCCN1C(=O)Cl Amb24407327 [1,0,0,1,0,0|2,0,0]=4 470 B11R1.178 OC(=O)[C@@H]1CCCN1C(C)C Amb10608520 [1,0,0,1,0,0|1,0,1]=4 471 B11R1.178 OC(=O)[C@@H]1CCCN1C(S)=S Amb25189153 [1,0,0,1,0,0|2,0,0]=4 472 B11R1.708 CC(=O)N1CCC1CC(O)=O Amb24429021 [1,0,0,1,0,0|1,0,0]=3 473 B11R1.708 CC(=O)OC1CCC1C(O)=O Amb25095808 [1,0,0,1,0,0|2,0,0]=4 474 B11R1.708 CC(=O)O[C@H]1CC[C@H]1C(O)=O Amb24519491 [1,0,0,1,0,0|2,0,0]=4 475 B11R1.708 CN(C)NC1CCC1C(O)=O Amb24471766 [1,0,0,1,0,0|2,0,0]=4 476 B11R1.708 NC(=O)N1CCC1CC(O)=O Amb24727755 [1,0,0,1,0,0|1,0,1]=4 477 B11R1.708 NC(=O)N[C@@H]1CC[C@@H]1C(O)=O Amb24651044 [1,0,0,1,0,0|1,0,1]=4 478 B11R1.711 CC(=O)CCC1CC1C(O)=O Amb25384585 [1,0,0,1,0,0|2,0,0]=4 479 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(O)=O Amb25384133 [1,0,0,1,0,0|2,0,0]=4 480 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(O)=O Amb25383057 [1,0,0,1,0,0|2,0,0]=4 481 B11R1.711 CC(=O)NC[C@H]1C[C@H]1C(O)=O Amb25277428 [1,0,0,1,0,0|1,0,0]=3 482 B11R1.711 CC(=O)OC[C@H]1C[C@@H]1C(O)=O Amb24763031 [1,0,0,1,0,0|2,0,0]=4 483 B11R1.80 CC(=O)CC1CC(C)C(=O)O1 Amb22364468 [0,0,0,1,1,0|2,0,0]=4 484 B11R1.80 CC(=O)CC1C[C@@H](C)C(=O)O1 Amb24486324 [0,0,0,1,1,0|2,0,0]=4 485 B11R1.80 CC(=O)CC1C[C@H](C)C(=O)O1 Amb25713684 [0,0,0,1,1,0|2,0,0]=4 486 B11R1.175 CC(=O)C1CCC(C1)C(O)=O Amb24373216 [0,0,0,1,1,0|2,0,0]=4 487 B11R1.175 CC(=O)N1CC(CC1)C(O)=O Amb18949041 [0,0,0,1,1,0|2,0,0]=4 488 B11R1.175 CC(=O)[C@@H]1NC(CS1)C(O)=O Amb24487680 [0,0,0,1,1,0|2,0,0]=4 489 B11R1.175 CC(=O)[C@H]1NC(CS1)C(O)=O Amb25226564 [0,0,0,1,1,0|2,0,0]=4 490 B11R1.175 CC(C)C1CCC(N1)C(O)=O Amb18200002 [0,0,0,1,1,0|1,0,1]=4 491 B11R1.175 CC(C)[C@@H]1CC[C@@H](N1)C(O)=O Amb24514876 [0,0,0,1,1,0|1,0,1]=4 492 B11R1.175 CC(C)[C@H]1CC[C@H](N1)C(O)=O Amb25174843 [0,0,0,1,1,0|1,0,1]=4 493 B11R1.175 NC(=O)[C@@H]1CC[C@@H](N1)C(O)=O Amb23560440 [0,0,0,1,1,0|1,0,1]=4 494 B11R1.175 NC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb23560427 [0,0,0,1,1,0|1,0,1]=4 495 B11R1.175 OC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb25174831 [0,0,0,1,1,0|2,0,0]=4 496 B11R1.175 OC(=O)[C@H]1CC[C@H](N1)C(O)=O Amb24538157 [0,0,0,1,1,0|2,0,0]=4 497 B11R1.314 CC(C1CNC(=O)C1)C(O)=O Amb24697093 [0,0,0,1,1,0|2,0,0]=4 498 B11R1.314 CC1CCC(O1)C(N)C(O)=O Amb24390378 [0,0,0,1,1,0|1,0,1]=4 499 B11R1.314 CC=1COC(C1)[C@H](N)C(O)=O Amb24357015 [0,0,0,1,1,0|2,0,0]=4 500 B11R1.314 CC=1CO[C@H](C1)[C@H](N)C(O)=O Amb24610184 [0,0,0,1,1,0|2,0,0]=4 501 B11R1.314 CN1CC(CC1)C(N)C(O)=O Amb18199896 [0,0,0,1,1,0|2,0,0]=4 502 B11R1.314 C[C@H]([C@@H]1CCC(=O)C1)C(O)=O Amb24580212 [0,0,0,1,1,0|2,0,0]=4 503 B11R1.314 C[C@H]([C@H]1CCC(=O)C1)C(O)=O Amb24635654 [0,0,0,1,1,0|2,0,0]=4 504 B11R1.314 Cc1[nH]cc([n]1)C(N)C(O)=O Amb18200499 [0,0,0,1,1,0|0,0,2]=4 505 B11R1.314 N[C@H](C1CCC(=O)C1)C(O)=O Amb25148224 [0,0,0,1,1,0|1,0,0]=3 506 B11R1.314 N[C@H]([C@@H]1CCC(=O)O1)C(O)=O Amb24511954 [0,0,0,1,1,0|2,0,0]=4 507 B11R1.314 N[C@H]([C@H]1CC(=O)NO1)C(O)=O Amb24391177 [0,0,0,1,1,0|2,0,0]=4 508 B11R1.667 CC1(CCCC(=C)C1)C(O)=O Amb18125760 [0,0,0,1,1,0|2,0,0]=4 509 B11R1.667 CC1CCCC(N1)(N)C(=O)O Amb13886110 [0,0,0,1,1,0|0,0,2]=4 510 B11R1.667 C[C@@H]1C[C@](N)(CCC1)C(O)=O Amb24609910 [0,0,0,1,1,0|1,0,1]=4 511 B11R1.667 C[C@@]1(CC(=O)CCC1)C(O)=O Amb25138624 [0,0,0,1,1,0|2,0,0]=4 512 B11R1.667 C[C@]1(CC(=O)CCC1)C(O)=O Amb25299471 [0,0,0,1,1,0|2,0,0]=4 513 B11R1.667 N=C1NC(O)(CCN1)C(O)=O Amb25240655 [0,0,0,1,1,0|2,0,0]=4 514 B11R1.667 NC(=O)C1(N)CC(=O)NCC1 Amb25178895 [0,0,0,1,1,0|2,0,0]=4 515 B11R1.667 NC1(CC(=O)CCC1)C(O)=O Amb23560233 [0,0,0,1,1,0|1,0,0]=3 516 B11R1.667 N[C@@]1(C[C@@H](O)CCC1)C(O)=O Amb25264396 [0,0,0,1,1,0|1,0,1]=4 517 B11R1.667 N[C@@]1(C[C@H](O)CCC1)C(O)=O Amb25377812 [0,0,0,1,1,0|1,0,1]=4 518 B11R1.667 N[C@]1(C[C@H](O)CCC1)C(O)=O Amb25288503 [0,0,0,1,1,0|1,0,1]=4 519 B11R1.667 OC(=O)C1(O)CC(=O)CCC1 Amb25054532 [0,0,0,1,1,0|2,0,0]=4 520 B11R1.704 NC(C1CC1C(O)=O)C(O)=O Amb24447417 [0,0,0,1,1,0|2,0,0]=4 521 B11R1.704 NC(C1C[C@@H]1C(O)=O)C(O)=O Amb25689113 [0,0,0,1,1,0|2,0,0]=4 522 B11R1.704 N[C@@H](C1CC1C(O)=O)C(O)=O Amb25794472 [0,0,0,1,1,0|2,0,0]=4 523 B11R1.704 N[C@@H]([C@@H]1CC1C(O)=O)C(O)=O Amb24512148 [0,0,0,1,1,0|2,0,0]=4 524 B11R1.704 N[C@@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb22352678 [0,0,0,1,1,0|2,0,0]=4 525 B11R1.704 N[C@@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25210847 [0,0,0,1,1,0|2,0,0]=4 526 B11R1.704 N[C@@H]([C@H]1CC1C(O)=O)C(O)=O Amb25273752 [0,0,0,1,1,0|2,0,0]=4 527 B11R1.704 N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O Amb19930360 [0,0,0,1,1,0|2,0,0]=4 528 B11R1.704 N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb22388556 [0,0,0,1,1,0|2,0,0]=4 529 B11R1.704 N[C@H]([C@@H]1CC1C(O)=O)C(O)=O Amb25274088 [0,0,0,1,1,0|2,0,0]=4 530 B11R1.704 N[C@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb25274089 [0,0,0,1,1,0|2,0,0]=4 531 B11R1.704 N[C@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25242512 [0,0,0,1,1,0|2,0,0]=4 532 B11R1.704 N[C@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb24692814 [0,0,0,1,1,0|2,0,0]=4 533 B11R1.723 CC(=C)C1CC[C@]1(C)C(O)=O Amb24390873 [0,0,0,1,1,0|2,0,0]=4 534 B11R1.723 CC(=O)C1CCC1(C)C(O)=O Amb25858072 [0,0,0,1,1,0|2,0,0]=4 535 B11R1.723 CC(C)C1CCC1(N)C(O)=O Amb23456073 [0,0,0,1,1,0|1,0,1]=4 536 B11R1.723 CC(C)[C@@H]1CC[C@@]1(N)C(O)=O Amb25349511 [0,0,0,1,1,0|1,0,1]=4 537 B11R1.723 NC1(CCC1C(O)=O)C(O)=O Amb24381448 [0,0,0,1,1,0|2,0,0]=4 538 B11R1.730 CC1(C)CCCC(N1)C(O)=O Amb23589291 [0,0,0,1,1,0|1,0,1]=4 539 B11R1.743 CC(=O)NC1CC(C1)C(O)=O Amb23441142 [0,0,0,1,1,0|2,0,0]=4 540 B11R1.927 NC(=O)CC1CC1(N)C(O)=O Amb25738018 [0,0,0,1,1,0|1,0,1]=4 541 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb19148343 [0,0,0,1,1,0|2,0,0]=4 542 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb25321870 [0,0,0,1,1,0|2,0,0]=4 543 B11R1.927 N[C@]1(C[C@H]1CC(O)=O)C(O)=O Amb25179270 [0,0,0,1,1,0|2,0,0]=4 544 B13R1.148 NC(CN1CC(=O)NCC1)C(O)=O Amb18981871 [0,0,0,1,0,1|1,0,0]=3 545 B13R1.148 NC(CN1CC(F)=CCC1)C(O)=O Amb24522508 [0,0,0,1,0,1|2,0,0]=4 546 B13R1.148 OC(=O)C(O)CN1CC(=O)NCC1 Amb24395450 [0,0,0,1,0,1|2,0,0]=4 547 B13R1.587 CC(=C)CC1CCCC(N1)C(O)=O Amb24732632 [0,0,0,1,0,1|2,0,0]=4 548 B13R1.587 CC(=O)CN1CC(CCC1)C(O)=O Amb23450685 [0,0,0,1,0,1|2,0,0]=4 549 B13R1.587 CC(=O)NC1CC(NCC1)C(O)=O Amb24743220 [0,0,0,1,0,1|2,0,0]=4 550 B13R1.587 CC(=O)NC1CCCC(C1)C(O)=O Amb18967203 [0,0,0,1,0,1|2,0,0]=4 551 B13R1.587 CC(=O)NC1CNCC(C1)C(O)=O Amb18649293 [0,0,0,1,0,1|2,0,0]=4 552 B13R1.587 CC(=O)N[C@@H]1CCC[C@@H](C1)C(O)=O Amb24519257 [0,0,0,1,0,1|2,0,0]=4 553 B13R1.1060 CC(=O)N1CC(CCCC1)C(O)=O Amb25843726 [0,0,0,1,0,1|2,0,0]=4 554 B13R1.1060 CC(=O)N1CC(COCC1)C(O)=O Amb20062252 [0,0,0,1,0,1|2,0,0]=4 555 B13R1.1091 CC(=O)N1CCCCC1(C)C(O)=O Amb21960350 [0,0,0,1,0,1|2,0,0]=4 556 B13R1.1985 NC(=N)NCC1CCC(C1)C(O)=O Amb25858145 [0,0,0,1,0,1|2,0,0]=4 557 B13R1.2025 CC(=C)CN1CCCC1(C)C(O)=O Amb24493782 [0,0,0,1,0,1|2,0,0]=4 558 B13R1.2025 CC(=O)NC1CCCC1(C)C(O)=O Amb24669862 [0,0,0,1,0,1|2,0,0]=4 559 B13R1.3443 NC(=N)NCCC1CC(N)C(=O)O1 Amb25857216 [0,0,0,1,0,1|1,0,0]=3 560 B13R1.3443 NC(=N)NCC[C@H]1C[C@H](N)C(=O)O1 Amb25364948 [0,0,0,1,0,1|1,0,0]=3 561 B13R1.295 CC(=O)N1CCCC(C)C1C(O)=O Amb24456220 [0,0,0,1,0,1|2,0,0]=4 562 B13R1.295 CC(=O)N1CCC[C@@H](O)[C@@H]1C(O)=O Amb24726248 [0,0,0,1,0,1|2,0,0]=4 563 B13R1.3534 CC(=O)OC1CCC(N)C1C(O)=O Amb24490192 [0,0,0,1,0,1|2,0,0]=4 564 B13R1.533 CC(=O)NC1CC(CC1)C(=O)OC Amb25366128 [0,1,0,1,0,0|2,0,0]=4 565 B13R1.533 COC(=O)C1CC(CC1)NC(N)=N Amb24653598 [0,1,0,1,0,0|2,0,0]=4 566 B13R1.533 COC(=O)[C@@H]1C[C@@H](CC1)NC(N)=N Amb25257335 [0,1,0,1,0,0|2,0,0]=4 567 B13R1.543 CC(=NO)C1CCCC(C1)C(O)=O Amb24490083 [0,1,0,1,0,0|2,0,0]=4 568 B13R1.543 CC(=NO)[C@H]1CCC[C@H](C1)C(O)=O Amb24558158 [0,1,0,1,0,0|2,0,0]=4 569 B13R1.543 CC(=O)N1CC(CCC1)C(=O)OC Amb21860425 [0,1,0,1,0,0|2,0,0]=4 570 B13R1.543 CC(=O)N1C[C@@H](CCC1)C(=O)OC Amb24704341 [0,1,0,1,0,0|2,0,0]=4 571 B13R1.543 CC(=O)N1C[C@H](CCC1)C(=O)OC Amb25709083 [0,1,0,1,0,0|2,0,0]=4 572 B13R1.543 CCC(=O)N1CCCC(C1)C(=O)O Amb1121056 [0,1,0,1,0,0|2,0,0]=4 573 B13R1.543 CCC(=O)N1C[C@@H](CCC1)C(O)=O Amb25684602 [0,1,0,1,0,0|2,0,0]=4 574 B13R1.543 CCC(=O)N1C[C@H](CCC1)C(O)=O Amb24740289 [0,1,0,1,0,0|2,0,0]=4 575 B13R1.543 CNC(=N)N1CCCC(C1)C(N)=O Amb19068790 [0,1,0,1,0,0|2,0,0]=4 576 B13R1.543 CNC(=O)N1C[C@@H](CCC1)C(O)=O Amb25362929 [0,1,0,1,0,0|2,0,0]=4 577 B13R1.543 COC(=O)C1CCCC(N1)C(O)=O Amb18191173 [0,1,0,1,0,0|2,0,0]=4 578 B13R1.543 COC(=O)N1C[C@@H](CCC1)C(O)=O Amb25035476 [0,1,0,1,0,0|2,0,0]=4 579 B13R1.543 NCC(=O)N1CC(CCC1)C(O)=O Amb18951661 [0,1,0,1,0,0|2,0,0]=4 580 B13R1.543 NCC(=O)N1C[C@@H](CCC1)C(O)=O Amb24758507 [0,1,0,1,0,0|2,0,0]=4 581 B13R1.543 NCC(=O)N1C[C@H](CCC1)C(O)=O Amb24640996 [0,1,0,1,0,0|2,0,0]=4 582 B13R1.543 OC(=O)C1CN(CCC1)C(=O)CCl Amb21956219 [0,1,0,1,0,0|2,0,0]=4 583 B13R1.1824 CC(=O)N1CCCC1(C)C(=O)OC Amb25821280 [0,1,0,1,0,0|2,0,0]=4 584 B13R1.1824 COC(=O)C1(O)CCCN1C(=O)C Amb17594846 [0,1,0,1,0,0|2,0,0]=4 585 B13R1.7533 CC1CCCNC(=O)CCOC1=O Amb24383163 [0,1,0,1,0,0|2,0,0]=4 586 B13R1.133 NC(CC1CCC(=O)CC1)C(O)=O Amb24558162 [0,1,0,1,0,0|2,0,0]=4 587 B13R1.133 N[C@@H](CC1CCC(=O)CC1)C(O)=O Amb25775217 [0,1,0,1,0,0|2,0,0]=4 588 B13R1.897 NC(C1NC(=N)NCC1O)C(O)=O Amb24430072 [0,1,0,1,0,0|1,0,0]=3 589 B13R1.897 N[C@@H]([C@@H]1NC(=N)NC[C@H]1O)C(O)=O Amb25245116 [0,1,0,1,0,0|1,0,0]=3 590 B13R1.5898 CC1=NC(F)(CC(N)C(O)=O)C=N1 Amb25065274 [0,1,0,1,0,0|0,0,2]=4 591 B13R1.8689 NC(=N)NCC1CC(N)(C1)C(O)=O Amb25034529 [0,1,0,1,0,0|1,0,0]=3 592 B13R1.1706 CCC(=O)NC1CC(CC1)C(O)=O Amb25360337 [0,1,0,1,0,0|2,0,0]=4 593 B13R1.1706 CCC(=O)N[C@@H]1C[C@@H](CC1)C(O)=O Amb25362503 [0,1,0,1,0,0|2,0,0]=4 594 B13R1.1706 CCC(=O)N[C@H]1C[C@H](CC1)C(O)=O Amb24601561 [0,1,0,1,0,0|2,0,0]=4 595 B13R1.1706 CNC(=O)N[C@H]1C[C@H](CC1)C(O)=O Amb25341589 [0,1,0,1,0,0|2,0,0]=4 596 B13R1.1706 COC(=O)NC1CC(CC1)C(O)=O Amb25052489 [0,1,0,1,0,0|2,0,0]=4 597 B13R1.1706 COC(=O)N[C@@H]1C[C@@H](CC1)C(O)=O Amb25173155 [0,1,0,1,0,0|2,0,0]=4 598 B13R1.1706 COC(=O)N[C@H]1C[C@H](CC1)C(O)=O Amb24361286 [0,1,0,1,0,0|2,0,0]=4 599 B13R1.1706 NCC(=O)N[C@H]1C[C@H](CC1)C(O)=O Amb25139237 [0,1,0,1,0,0|2,0,0]=4 600 B13R1.1856 CCC(=O)N1CCCC1(C)C(O)=O Amb24461249 [0,1,0,1,0,0|2,0,0]=4 601 B13R1.1856 CNC(=O)N1CCCC1(C)C(O)=O Amb25756943 [0,1,0,1,0,0|2,0,0]=4 602 B13R1.1856 COC(=O)N1CCC[C@@]1(C)C(O)=O Amb25856310 [0,1,0,1,0,0|2,0,0]=4 603 B13R1.585 CC(=O)NC1CCC(CC1)C(O)=O Amb24346889 [0,1,0,1,0,0|2,0,0]=4 604 B13R1.585 CC(=O)N[C@@H]1CC[C@H](CC1)C(O)=O Amb25336565 [0,1,0,1,0,0|2,0,0]=4 605 B13R1.585 NC(=N)NC1CCC(CC1)C(O)=O Amb24726290 [0,1,0,1,0,0|2,0,0]=4 606 B13R1.585 NC(=N)NC1CNC(CC1)C(O)=O Amb24595813 [0,1,0,1,0,0|1,0,0]=3 607 B13R1.585 NC(=N)N[C@@H]1CN[C@@H](CC1)C(O)=O Amb24644147 [0,1,0,1,0,0|1,0,0]=3 608 B13R1.585 NC(=N)N[C@H]1CN[C@H](CC1)C(O)=O Amb25176156 [0,1,0,1,0,0|1,0,0]=3 609 B13R1.3801 CC(=O)N1CCCC(C1C)C(O)=O Amb25263418 [0,1,0,1,0,0|2,0,0]=4 610 B13R1.8780 CC(=O)N1CC(O)(CCC1)C(O)=O Amb18191169 [0,1,0,1,0,0|2,0,0]=4 611 B13R1.3423 NC(C1CC(O)NC(=N)N1)C(O)=O Amb25065348 [0,1,0,1,0,0|1,0,0]=3 612 B13R1.3423 N[C@@H](C1C[C@H](O)NC(=N)N1)C(O)=O Amb24642024 [0,1,0,1,0,0|1,0,0]=3 613 B13R1.3481 Cc1[nH]c(C)c(C[C@H](N)C(O)=O)[n]1 Amb25759219 [0,1,0,1,0,0|0,0,2]=4 614 B13R1.3481 Cc1[nH]c(F)c(CC(N)C(O)=O)[n]1 Amb25070627 [0,1,0,1,0,0|0,0,2]=4 615 B13R1.3481 N[C@@H](C[C@@H]1CC(=O)NC1=O)C(O)=O Amb24555524 [0,1,0,1,0,0|1,0,1]=4 616 B13R2.400 CC=1NC2CC(CC2N1)C(O)=O Amb18826584 [0,0,0,2,0,0|1,0,0]=3 617 B13R2.3678 OC(=O)C1CC2C(CNC2=O)C1 Amb25195043 [0,0,0,2,0,0|2,0,0]=4 618 B13R2.3291 N=C1NC2CC(N1)C(N2)C(O)=O Amb25088338 [0,0,0,2,0,0|1,0,0]=3 619 B13R2.3291 N=C1N[C@@H]2C[C@@H](N1)[C@@H](N2)C(O)=O Amb25321974 [0,0,0,2,0,0|1,0,0]=3 620 B13R2.3291 N=C1N[C@H]2C[C@@H](N1)C(N2)C(O)=O Amb24550593 [0,0,0,2,0,0|1,0,0]=3 621 B13R2.3291 N=C1N[C@H]2C[C@@H](N1)[C@H](N2)C(O)=O Amb24552939 [0,0,0,2,0,0|1,0,0]=3 622 B13R2.3335 Cc1[nH]c2CCC(C(O)=O)c2[n]1 Amb18827812 [0,0,0,2,0,0|1,0,1]=4 623 B13R2.5083 OC(=O)C12CCC(=O)N1CCC2 Amb17933894 [0,0,0,2,0,0|2,0,0]=4 624 B13R2.22616 C[C@]1(CC[C@H]2CC(=O)N12)C(O)=O Amb25285602 [0,0,0,2,0,0|2,0,0]=4 625 B9R0.1 CC(=O)CCCC(Cl)C=O Amb24653770 [1,0,0,0,1,0|2,0,0]=4 626 B9R0.1 CC(=O)CCC[C@H](Cl)C=O Amb25101587 [1,0,0,0,1,0|2,0,0]=4 627 B9R0.1 CC(CCCC(C)=C)C=O Amb25712471 [1,0,0,0,1,0|2,0,0]=4 628 B9R0.1 CC(CCCC(C)=O)C=O Amb24453385 [1,0,0,0,1,0|2,0,0]=4 629 B9R0.1 C[C@H](CCCC(C)=O)C=O Amb25119261 [1,0,0,0,1,0|2,0,0]=4 630 B9R0.1 NC(CCCC(O)=O)C=O Amb25075707 [1,0,0,0,1,0|2,0,0]=4 631 B9R0.7 CC(=C)CCC(C)C(O)=O Amb25809141 [0,0,0,0,2,0|2,0,0]=4 632 B9R0.7 CC(=C)CC[C@@H](C)C(O)=O Amb25685103 [0,0,0,0,2,0|2,0,0]=4 633 B9R0.7 CC(=C)CC[C@@H](N)C(O)=O Amb25775219 [0,0,0,0,2,0|1,0,0]=3 634 B9R0.7 CC(=N)SCC(Cl)C(O)=O Amb18648569 [0,0,0,0,2,0|2,0,0]=4 635 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [0,0,0,0,2,0|2,0,0]=4 636 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [0,0,0,0,2,0|1,0,0]=3 637 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [0,0,0,0,2,0|1,0,0]=3 638 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [0,0,0,0,2,0|1,0,0]=3 639 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [0,0,0,0,2,0|1,0,0]=3 640 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [0,0,0,0,2,0|2,0,0]=4 641 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [0,0,0,0,2,0|2,0,0]=4 642 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [0,0,0,0,2,0|2,0,0]=4 643 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [0,0,0,0,2,0|1,0,0]=3 644 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [0,0,0,0,2,0|2,0,0]=4 645 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [0,0,0,0,2,0|2,0,0]=4 646 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [0,0,0,0,2,0|2,0,0]=4 647 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [0,0,0,0,2,0|2,0,0]=4 648 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [0,0,0,0,2,0|2,0,0]=4 649 B9R0.7 CC(C)=CC[C@H](N)C(O)=O Amb25836895 [0,0,0,0,2,0|1,0,1]=4 650 B9R0.7 CC(C)CCC(N)C(O)=O Amb19269152 [0,0,0,0,2,0|1,0,1]=4 651 B9R0.7 CC(C)CC[C@@H](N)C(O)=O Amb19133196 [0,0,0,0,2,0|1,0,1]=4 652 B9R0.7 CC(C)CC[C@@H](N)C(O)=O Amb22899130 [0,0,0,0,2,0|1,0,1]=4 653 B9R0.7 CC(C)NCC(N)C(O)=O Amb25790256 [0,0,0,0,2,0|1,0,1]=4 654 B9R0.7 CC(C)NC[C@H](N)C(O)=O Amb24682685 [0,0,0,0,2,0|1,0,1]=4 655 B9R0.7 CC(Cl)=CCC(N)C(O)=O Amb25326840 [0,0,0,0,2,0|1,0,1]=4 656 B9R0.7 CC(Cl)=CC[C@H](N)C(O)=O Amb24518555 [0,0,0,0,2,0|1,0,1]=4 657 B9R0.7 CC(Cl)CCC(N)C(O)=O Amb24692699 [0,0,0,0,2,0|1,0,1]=4 658 B9R0.7 CC(Cl)CC[C@H](N)C(O)=O Amb24692939 [0,0,0,0,2,0|1,0,1]=4 659 B9R0.7 CC(F)=CCC(N)C(O)=O Amb24354283 [0,0,0,0,2,0|1,0,1]=4 660 B9R0.7 CC(O)NC[C@H](N)C(O)=O Amb24575047 [0,0,0,0,2,0|1,0,1]=4 661 B9R0.7 CN(C)CC[C@H](N)C(O)=O Amb25108550 [0,0,0,0,2,0|2,0,0]=4 662 B9R0.7 CP(O)CCC(N)C(O)=O Amb25295427 [0,0,0,0,2,0|2,0,0]=4 663 B9R0.7 CS(=N)CCC(N)C(O)=O Amb25243030 [0,0,0,0,2,0|1,0,0]=3 664 B9R0.7 CS(=N)CC[C@H](N)C(O)=O Amb25100927 [0,0,0,0,2,0|1,0,0]=3 665 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O Amb19133021 [0,0,0,0,2,0|2,0,0]=4 666 B9R0.7 CS(=O)NC[C@H](N)C(O)=O Amb25798536 [0,0,0,0,2,0|2,0,0]=4 667 B9R0.7 CS(C)CCC(N)C(O)=O Amb25695887 [0,0,0,0,2,0|2,0,0]=4 668 B9R0.7 CS(C)CC[C@H](N)C(O)=O Amb24440849 [0,0,0,0,2,0|2,0,0]=4 669 B9R0.7 C[C@H](N)CC[C@@H](N)C(O)=O Amb25199121 [0,0,0,0,2,0|0,0,2]=4 670 B9R0.7 C[S+](C)CC[C@@H](N)C(O)=O Amb22800534 [0,0,0,0,2,0|2,0,0]=4 671 B9R0.7 C[S+](C)CC[C@@H](N)C(O)=O Amb22800551 [0,0,0,0,2,0|2,0,0]=4 672 B9R0.7 C\C(\Cl)=C\CC(N)C(O)=O Amb24692752 [0,0,0,0,2,0|1,0,1]=4 673 B9R0.7 C\C(\Cl)=C\C[C@H](N)C(O)=O Amb24629700 [0,0,0,0,2,0|1,0,1]=4 674 B9R0.7 NC(=N)NCC(N)C(O)=O Amb22169574 [0,0,0,0,2,0|1,0,0]=3 675 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N Amb16232025 [0,0,0,0,2,0|1,0,0]=3 676 B9R0.7 NC(=N)NC[C@H](O)C(O)=O Amb25126652 [0,0,0,0,2,0|2,0,0]=4 677 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [0,0,0,0,2,0|1,0,1]=4 678 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [0,0,0,0,2,0|1,0,1]=4 679 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [0,0,0,0,2,0|2,0,0]=4 680 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,0,0,0,2,0|2,0,0]=4 681 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,0,0,0,2,0|2,0,0]=4 682 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,0,0,0,2,0|2,0,0]=4 683 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [0,0,0,0,2,0|2,0,0]=4 684 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,0,0,0,2,0|2,0,0]=4 685 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [0,0,0,0,2,0|1,0,1]=4 686 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [0,0,0,0,2,0|1,0,1]=4 687 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [0,0,0,0,2,0|2,0,0]=4 688 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [0,0,0,0,2,0|2,0,0]=4 689 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,0,0,0,2,0|2,0,0]=4 690 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [0,0,0,0,2,0|2,0,0]=4 691 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [0,0,0,0,2,0|2,0,0]=4 692 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [0,0,0,0,2,0|2,0,0]=4 693 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [0,0,0,0,2,0|2,0,0]=4 694 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [0,0,0,0,2,0|2,0,0]=4 695 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,0,0,0,2,0|2,0,0]=4 696 B9R0.7 N[C@H](C(=O)O)CCC(C)C Amb16183866 [0,0,0,0,2,0|1,0,1]=4 697 B9R0.7 N[C@H](C(=O)O)CC[S+](C)C Amb10601599 [0,0,0,0,2,0|2,0,0]=4 698 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,0,0,0,2,0|2,0,0]=4 699 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [0,0,0,0,2,0|1,0,1]=4 700 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [0,0,0,0,2,0|1,0,1]=4 701 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,0,0,0,2,0|2,0,0]=4 702 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,0,0,0,2,0|2,0,0]=4 703 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [0,0,0,0,2,0|1,0,1]=4 704 B11R0.2 CCCCCCC(CC(=O)O)N Amb2229636 [1,0,0,0,0,1|1,0,1]=4 705 B11R0.30 CC(=O)SCCCCCC(O)=O Amb22337829 [1,0,0,0,0,1|2,0,0]=4 706 B11R0.30 NC(=N)NCCCCCC(O)=O Amb20621391 [1,0,0,0,0,1|1,0,0]=3 707 B11R0.30 OC(=O)CCCCCNC(=O)C Amb1208026 [1,0,0,0,0,1|1,0,0]=3 708 B13R0.180 OC(=O)CNCCCC[C@@H](C(=O)O)N Amb10976141 [0,0,0,0,0,2|2,0,0]=4