0 B9R0.7 CC(=C)CCC(C)C(O)=O Amb25809141 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.7 CC(=C)CC[C@@H](C)C(O)=O Amb25685103 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.7 CC(=C)CC[C@@H](N)C(O)=O Amb25775219 [0,0,0,0,0,0|1,0,1]=2 3 B9R0.7 CC(=C)COC(C)C(O)=O Amb24549744 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.7 CC(=C)CO[C@@H](C)C(O)=O Amb24505175 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.7 CC(=C)CO[C@H](C)C(O)=O Amb25772492 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.7 CC(=N)SCC(Cl)C(O)=O Amb18648569 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 CC(=O)C(N)CCC(N)=O Amb25231237 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.7 CC(=O)CCC(C)C(C)=O Amb25146789 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.7 CC(=O)CCC(F)C(C)=O Amb25369738 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.7 CC(=O)CC[C@H](C)C(C)=O Amb25692099 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.7 CC(=O)OCC(Cl)C(O)=O Amb24425506 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [0,0,0,0,0,0|3,0,0]=3 26 B9R0.7 CC(=O)SCC(Cl)C(O)=O Amb24423824 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [0,0,0,0,0,0|3,0,0]=3 28 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.7 CC(=O)[C@@H](N)CCC(N)=O Amb25142080 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.7 CC(=O)[C@@H](N)CCC(O)=O Amb24386065 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.7 CC(C)=C=CC(C)C(O)=O Amb25063829 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.7 CC(C)=CCC(=C)C(O)=O Amb25312869 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.7 CC(C)=CCC(C)C(C)=O Amb24727108 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.7 CC(C)=CCC(C)C(O)=O Amb18643879 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.7 CC(C)=CCC(Cl)C(C)=O Amb24372865 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.7 CC(C)=CCC(F)C(O)=O Amb24480809 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.7 CC(C)=CCC(N)C(N)=O Amb24697159 [0,0,0,0,0,0|2,0,1]=3 38 B9R0.7 CC(C)=CCC(O)C(C)=O Amb24356685 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.7 CC(C)=CC[C@@H](C)C(O)=O Amb24698988 [0,0,0,0,0,0|2,0,1]=3 40 B9R0.7 CC(C)=CC[C@@H](O)C(C)=O Amb24662470 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.7 CC(C)=CC[C@H](N)C(O)=O Amb25836895 [0,0,0,0,0,0|1,0,1]=2 42 B9R0.7 CC(C)=CC[C@H](O)C(C)=O Amb24648883 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.7 CC(C)=NO[C@@H](C)C(O)=O Amb24349833 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.7 CC(C)C(N)CCN(C)C Amb23511488 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.7 CC(C)C=NC(C)C(O)=O Amb24356117 [0,0,0,0,0,0|3,0,1]=4 46 B9R0.7 CC(C)CCC(=O)C(=O)Cl Amb24722777 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.7 CC(C)CCC(Br)C(C)=O Amb25828882 [0,0,0,0,0,0|3,0,0]=3 48 B9R0.7 CC(C)CCC(Br)C(O)=O Amb18131059 [0,0,0,0,0,0|2,0,0]=2 49 B9R0.7 CC(C)CCC(C)C(C)=O Amb24392384 [0,0,0,0,0,0|3,0,0]=3 50 B9R0.7 CC(C)CCC(C)C(C)O Amb25262988 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.7 CC(C)CCC(C)C(O)=O Amb19033547 [0,0,0,0,0,0|2,0,0]=2 52 B9R0.7 CC(C)CCC(C)[N+]([O-])=O Amb24555516 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.7 CC(C)CCC(Cl)C(=O)Cl Amb25225638 [0,0,0,0,0,0|3,0,0]=3 54 B9R0.7 CC(C)CCC(Cl)C(N)=O Amb25362428 [0,0,0,0,0,0|3,0,0]=3 55 B9R0.7 CC(C)CCC(F)C(C)=O Amb24383731 [0,0,0,0,0,0|3,0,0]=3 56 B9R0.7 CC(C)CCC(N)C(C)=C Amb25765968 [0,0,0,0,0,0|3,0,0]=3 57 B9R0.7 CC(C)CCC(N)C(C)=O Amb18831542 [0,0,0,0,0,0|2,0,0]=2 58 B9R0.7 CC(C)CCC(N)C(C)O Amb18124763 [0,0,0,0,0,0|2,0,1]=3 59 B9R0.7 CC(C)CCC(N)C(O)=O Amb19269152 [0,0,0,0,0,0|1,0,0]=1 60 B9R0.7 CC(C)CCC(O)C(C)=C Amb25043418 [0,0,0,0,0,0|4,0,0]=4 61 B9R0.7 CC(C)CCC(O)C(C)=O Amb24502166 [0,0,0,0,0,0|3,0,0]=3 62 B9R0.7 CC(C)CCC(O)C(C)O Amb25235411 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.7 CC(C)CCC(O)C(N)=O Amb25210125 [0,0,0,0,0,0|3,0,0]=3 64 B9R0.7 CC(C)CC[C@@H](N)C(=O)Cl Amb25086091 [0,0,0,0,0,0|2,0,0]=2 65 B9R0.7 CC(C)CC[C@@H](N)C(O)=O Amb19133196 [0,0,0,0,0,0|1,0,0]=1 66 B9R0.7 CC(C)CC[C@@H](N)C(O)=O Amb22899130 [0,0,0,0,0,0|1,0,0]=1 67 B9R0.7 CC(C)CC[C@H](Cl)C(=O)Cl Amb24544198 [0,0,0,0,0,0|3,0,0]=3 68 B9R0.7 CC(C)CC[C@H](F)C(C)=O Amb25050234 [0,0,0,0,0,0|3,0,0]=3 69 B9R0.7 CC(C)CC[C@H](O)C(C)=O Amb25059211 [0,0,0,0,0,0|3,0,0]=3 70 B9R0.7 CC(C)CNC(C)C(C)=O Amb24480697 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.7 CC(C)CN[C@H](C)C(N)=O Amb25052017 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.7 CC(C)CN[C@H](C)C(O)=O Amb25300819 [0,0,0,0,0,0|3,0,0]=3 73 B9R0.7 CC(C)COC(=O)C(O)=O Amb25064282 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.7 CC(C)COC(C)C(N)=O Amb19960054 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.7 CC(C)CSC(C)C(N)=O Amb18183474 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.7 CC(C)C\C=C(/F)\C(O)=O Amb18124770 [0,0,0,0,0,0|2,0,2]=4 77 B9R0.7 CC(C)NCC(=C)C(O)=O Amb25825537 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.7 CC(C)NCC(N)C(O)=O Amb25790256 [0,0,0,0,0,0|2,0,0]=2 79 B9R0.7 CC(C)NC[C@H](N)C(O)=O Amb24682685 [0,0,0,0,0,0|2,0,0]=2 80 B9R0.7 CC(C)NC[C@H](O)C(O)=O Amb24479668 [0,0,0,0,0,0|3,0,0]=3 81 B9R0.7 CC(C)NNC(C)C(O)=O Amb24070154 [0,0,0,0,0,0|4,0,0]=4 82 B9R0.7 CC(C)OCC(C)C(C)=O Amb24646230 [0,0,0,0,0,0|4,0,0]=4 83 B9R0.7 CC(C)OCC(N)C(C)=C Amb24428467 [0,0,0,0,0,0|4,0,0]=4 84 B9R0.7 CC(C)OCC(N)C(N)=O Amb25104507 [0,0,0,0,0,0|3,0,0]=3 85 B9R0.7 CC(C)OCC(O)C(O)=O Amb24583914 [0,0,0,0,0,0|3,0,0]=3 86 B9R0.7 CC(C)OC[C@@H](N)C(N)=O Amb25267850 [0,0,0,0,0,0|3,0,0]=3 87 B9R0.7 CC(C)OC[C@@H](N)C(O)=O Amb24479342 [0,0,0,0,0,0|2,0,0]=2 88 B9R0.7 CC(C)OC[C@H](O)C(O)=O Amb24480796 [0,0,0,0,0,0|3,0,0]=3 89 B9R0.7 CC(C)SCC(=C)C(O)=O Amb25727239 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.7 CC(C)SCC(C)C(O)=O Amb18303880 [0,0,0,0,0,0|3,0,0]=3 91 B9R0.7 CC(C)SCC(N)C(N)=O Amb18788147 [0,0,0,0,0,0|3,0,0]=3 92 B9R0.7 CC(C)SCC(O)C(O)=O Amb24728812 [0,0,0,0,0,0|3,0,0]=3 93 B9R0.7 CC(C)SC[C@@H](N)C(O)=O Amb18792510 [0,0,0,0,0,0|2,0,0]=2 94 B9R0.7 CC(C)SC[C@H](N)C(O)=O Amb25087870 [0,0,0,0,0,0|2,0,0]=2 95 B9R0.7 CC(C)SC[C@H](O)C(O)=O Amb25362660 [0,0,0,0,0,0|3,0,0]=3 96 B9R0.7 CC(C)\C=N\[C@@H](C)C(O)=O Amb24446744 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.7 CC(C)\C=N\[C@H](C)C(O)=O Amb25264740 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.7 CC(CCC(C)Br)C(O)=O Amb24452260 [0,0,0,0,0,0|3,0,0]=3 99 B9R0.7 CC(CNN(C)C)C(N)=O Amb24740251 [0,0,0,0,0,0|4,0,0]=4 100 B9R0.7 CC(Cl)=CCC(N)C(O)=O Amb25326840 [0,0,0,0,0,0|2,0,1]=3 101 B9R0.7 CC(Cl)=CC[C@H](N)C(O)=O Amb24518555 [0,0,0,0,0,0|2,0,1]=3 102 B9R0.7 CC(Cl)CCC(N)C(O)=O Amb24692699 [0,0,0,0,0,0|2,0,0]=2 103 B9R0.7 CC(Cl)CC[C@H](N)C(O)=O Amb24692939 [0,0,0,0,0,0|2,0,0]=2 104 B9R0.7 CC(F)=CCC(N)C(O)=O Amb24354283 [0,0,0,0,0,0|2,0,1]=3 105 B9R0.7 CC(NCC(C)N)C(O)=O Amb24599775 [0,0,0,0,0,0|4,0,0]=4 106 B9R0.7 CC(O)CCC(=C)C(O)=O Amb24375911 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.7 CC(O)CCC(C)C(O)=O Amb25848509 [0,0,0,0,0,0|3,0,0]=3 108 B9R0.7 CC(O)CCC(F)C(C)=O Amb25093785 [0,0,0,0,0,0|4,0,0]=4 109 B9R0.7 CC(O)CNC(C)C(O)=O Amb18523859 [0,0,0,0,0,0|4,0,0]=4 110 B9R0.7 CC(O)CN[C@@H](C)C(O)=O Amb25129862 [0,0,0,0,0,0|4,0,0]=4 111 B9R0.7 CC(O)COC(C)C(O)=O Amb25146942 [0,0,0,0,0,0|4,0,0]=4 112 B9R0.7 CC(O)CSC(C)C(O)=O Amb18303285 [0,0,0,0,0,0|4,0,0]=4 113 B9R0.7 CC(O)NC[C@H](N)C(O)=O Amb24575047 [0,0,0,0,0,0|3,0,0]=3 114 B9R0.7 CC(OCC(C)F)C(O)=O Amb25350495 [0,0,0,0,0,0|4,0,0]=4 115 B9R0.7 CC(SCC(C)N)C(O)=O Amb25224815 [0,0,0,0,0,0|4,0,0]=4 116 B9R0.7 CN(C)CCC(N)C(N)=O Amb19036813 [0,0,0,0,0,0|2,0,0]=2 117 B9R0.7 CN(C)CCN(C)C(N)=O Amb25728332 [0,0,0,0,0,0|4,0,0]=4 118 B9R0.7 CN(C)CCN(N)C(N)=N Amb24353587 [0,0,0,0,0,0|4,0,0]=4 119 B9R0.7 CN(C)CC[C@H](N)C(O)=O Amb25108550 [0,0,0,0,0,0|1,0,0]=1 120 B9R0.7 CN(C)NCC(=C)C(O)=O Amb25139679 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.7 CN(C)NCC(N)C(N)=O Amb25782297 [0,0,0,0,0,0|3,0,0]=3 122 B9R0.7 CN(C)NCC(O)C(O)=O Amb24683018 [0,0,0,0,0,0|3,0,0]=3 123 B9R0.7 CP(=O)OCC(N)C(O)=O Amb24724745 [0,0,0,0,0,0|3,0,0]=3 124 B9R0.7 CP(=O)OC[C@H](N)C(O)=O Amb25362185 [0,0,0,0,0,0|3,0,0]=3 125 B9R0.7 CP(O)CCC(N)C(O)=O Amb25295427 [0,0,0,0,0,0|2,0,0]=2 126 B9R0.7 CS(=N)CCC(N)C(O)=O Amb25243030 [0,0,0,0,0,0|1,0,1]=2 127 B9R0.7 CS(=N)CC[C@H](N)C(O)=O Amb25100927 [0,0,0,0,0,0|1,0,1]=2 128 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O Amb19133021 [0,0,0,0,0,0|1,0,1]=2 129 B9R0.7 CS(=O)NCC(O)C(O)=O Amb25177159 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.7 CS(=O)NC[C@H](N)C(O)=O Amb25798536 [0,0,0,0,0,0|2,0,1]=3 131 B9R0.7 CS(C)CCC(N)C(O)=O Amb25695887 [0,0,0,0,0,0|0,0,1]=1 132 B9R0.7 CS(C)CC[C@H](N)C(O)=O Amb24440849 [0,0,0,0,0,0|0,0,1]=1 133 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [0,0,0,0,0,0|4,0,0]=4 134 B9R0.7 C[C@@H](CC[N+]([O-])=O)C(O)=O Amb24330210 [0,0,0,0,0,0|4,0,0]=4 135 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [0,0,0,0,0,0|4,0,0]=4 136 B9R0.7 C[C@H](N)CC[C@@H](N)C(O)=O Amb25199121 [0,0,0,0,0,0|2,0,0]=2 137 B9R0.7 C[C@H](O)CC[C@@H](C)C(O)=O Amb25378744 [0,0,0,0,0,0|3,0,0]=3 138 B9R0.7 C[S+](C)CC[C@@H](N)C(O)=O Amb22800534 [0,0,0,0,0,0|0,0,0]=0 139 B9R0.7 C[S+](C)CC[C@@H](N)C(O)=O Amb22800551 [0,0,0,0,0,0|0,0,0]=0 140 B9R0.7 C[S+](C)CC[C@H](O)C([O-])=O Amb24407452 [0,0,0,0,0,0|1,0,1]=2 141 B9R0.7 C\C(=C\CC(C(=O)O)Cl)\Cl Amb17594711 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.7 C\C(=N\CC(C)C)\C(O)=O Amb24068330 [0,0,0,0,0,0|3,0,1]=4 143 B9R0.7 C\C(\Cl)=C\CC(C)C(O)=O Amb18126350 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.7 C\C(\Cl)=C\CC(N)C(O)=O Amb24692752 [0,0,0,0,0,0|2,0,1]=3 145 B9R0.7 C\C(\Cl)=C\C[C@H](N)C(O)=O Amb24629700 [0,0,0,0,0,0|2,0,1]=3 146 B9R0.7 NC(=N)NCC(N)C(O)=O Amb22169574 [0,0,0,0,0,0|4,0,0]=4 147 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N Amb16232025 [0,0,0,0,0,0|4,0,0]=4 148 B9R0.7 NC(=O)C(N)CCC(O)=O Amb18644256 [0,0,0,0,0,0|4,0,0]=4 149 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [0,0,0,0,0,0|4,0,0]=4 150 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [0,0,0,0,0,0|4,0,0]=4 151 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,0,0,0,0,0|4,0,0]=4 153 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [0,0,0,0,0,0|4,0,0]=4 154 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,0,0,0,0,0|4,0,0]=4 155 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [0,0,0,0,0,0|4,0,0]=4 156 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [0,0,0,0,0,0|4,0,0]=4 157 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [0,0,0,0,0,0|4,0,0]=4 158 B9R0.7 NC(=O)[C@@H](N)CCC(O)=O Amb22745051 [0,0,0,0,0,0|4,0,0]=4 159 B9R0.7 NC(=O)[C@H](N)CCC(O)=O Amb24557281 [0,0,0,0,0,0|4,0,0]=4 160 B9R0.7 NC(CCB(O)O)C(O)=O Amb22497480 [0,0,0,0,0,0|3,0,0]=3 161 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [0,0,0,0,0,0|3,0,0]=3 162 B9R0.7 NC(CCC(=O)Cl)C(=O)Cl Amb25101509 [0,0,0,0,0,0|4,0,0]=4 163 B9R0.7 NC(CCC(O)=O)C(=O)[Na] Amb24375221 [0,0,0,0,0,0|4,0,0]=4 164 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,0,0,0,0,0|3,0,0]=3 165 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,0,0,0,0,0|3,0,0]=3 166 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [0,0,0,0,0,0|4,0,0]=4 167 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,0,0,0,0,0|3,0,0]=3 168 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [0,0,0,0,0,0|3,0,0]=3 169 B9R0.7 NC(CCC([O-])=O)C([O-])=O Amb22369354 [0,0,0,0,0,0|3,0,1]=4 170 B9R0.7 NC(CCP(O)=O)C(O)=O Amb25276313 [0,0,0,0,0,0|3,0,0]=3 171 B9R0.7 NC(CCS(O)=O)C(O)=O Amb22349645 [0,0,0,0,0,0|2,0,1]=3 172 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,0,0,0,0,0|3,0,0]=3 173 B9R0.7 NC(COS(=O)F)C(O)=O Amb24681444 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [0,0,0,0,0,0|3,0,0]=3 175 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [0,0,0,0,0,0|3,0,0]=3 176 B9R0.7 N[C@@H](CC=C(F)F)C(O)=O Amb25844566 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.7 N[C@@H](CC=S(=O)=O)C(O)=O Amb24390366 [0,0,0,0,0,0|2,0,2]=4 178 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [0,0,0,0,0,0|3,0,0]=3 179 B9R0.7 N[C@@H](CCC(=O)Cl)C(=O)Cl Amb25138653 [0,0,0,0,0,0|4,0,0]=4 180 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [0,0,0,0,0,0|3,0,0]=3 181 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O Amb22745619 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,0,0,0,0,0|3,0,0]=3 183 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [0,0,0,0,0,0|3,0,0]=3 184 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [0,0,0,0,0,0|3,0,0]=3 185 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [0,0,0,0,0,0|3,0,0]=3 186 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [0,0,0,0,0,0|3,0,0]=3 187 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [0,0,0,0,0,0|3,0,0]=3 188 B9R0.7 N[C@@H](CCC([O-])=O)C([O-])=O Amb22799952 [0,0,0,0,0,0|3,0,1]=4 189 B9R0.7 N[C@@H](CCP(O)=O)C(O)=O Amb22904307 [0,0,0,0,0,0|3,0,0]=3 190 B9R0.7 N[C@@H](CC[N+]([O-])=O)C(O)=O Amb25227987 [0,0,0,0,0,0|3,0,0]=3 191 B9R0.7 N[C@@H](CN[N+]([O-])=O)C(O)=O Amb24704075 [0,0,0,0,0,0|4,0,0]=4 192 B9R0.7 N[C@@H](CSC(F)F)C(O)=O Amb18180315 [0,0,0,0,0,0|4,0,0]=4 193 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,0,0,0,0,0|3,0,0]=3 194 B9R0.7 N[C@H](C(=O)O)CCC(C)C Amb16183866 [0,0,0,0,0,0|1,0,0]=1 195 B9R0.7 N[C@H](C(=O)O)CC[S+](C)C Amb10601599 [0,0,0,0,0,0|0,0,0]=0 196 B9R0.7 N[C@H](CCS(O)=O)C(O)=O Amb24099404 [0,0,0,0,0,0|2,0,1]=3 197 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [0,0,0,0,0,0|4,0,0]=4 198 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,0,0,0,0,0|3,0,0]=3 199 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [0,0,0,0,0,0|4,0,0]=4 200 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [0,0,0,0,0,0|4,0,0]=4 201 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [0,0,0,0,0,0|4,0,0]=4 202 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [0,0,0,0,0,0|3,0,0]=3 203 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [0,0,0,0,0,0|3,0,0]=3 204 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,0,0,0,0,0|3,0,0]=3 205 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,0,0,0,0,0|3,0,0]=3 206 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [0,0,0,0,0,0|3,0,0]=3 207 B9R0.7 [O-][N+](=O)CC[C@H](C(=O)O)C Amb13883662 [0,0,0,0,0,0|4,0,0]=4 208 B8R0.8 C#CCCC(N)C(N)=O Amb25703121 [1,0,0,0,0,0|2,0,1]=4 209 B8R0.8 C#CCC[C@@H](N)C(N)=O Amb25368154 [1,0,0,0,0,0|2,0,1]=4 210 B8R0.8 C#CCC[C@@H](N)C(O)=O Amb24088809 [1,0,0,0,0,0|1,0,1]=3 211 B8R0.8 C#CCC[C@H](N)C(O)=O Amb24088866 [1,0,0,0,0,0|1,0,1]=3 212 B8R0.8 C=C=CCC(N)C(O)=O Amb25843448 [1,0,0,0,0,0|1,0,2]=4 213 B8R0.8 C=C=CC[C@H](N)C(O)=O Amb24355608 [1,0,0,0,0,0|1,0,2]=4 214 B8R0.8 C=CCCC(Cl)C(O)=O Amb25041973 [1,0,0,0,0,0|2,0,1]=4 215 B8R0.8 C=CCCC(N)C(N)=O Amb24333721 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.8 C=CCCC(N)C(O)=O Amb24383848 [1,0,0,0,0,0|1,0,1]=3 217 B8R0.8 C=CCC[C@@H](N)C(O)=O Amb23439045 [1,0,0,0,0,0|1,0,1]=3 218 B8R0.8 CC#CCC(N)C(N)=O Amb25793338 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.8 CC#CCC(N)C(O)=O Amb18988250 [1,0,0,0,0,0|1,0,1]=3 220 B8R0.8 CC#CCC(O)C(O)=O Amb25213344 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.8 CC#CC[C@@H](C)C(O)=O Amb24589724 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.8 CC#CC[C@@H](N)C(N)=O Amb25324867 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.8 CC#CC[C@@H](N)C(O)=O Amb22746783 [1,0,0,0,0,0|1,0,1]=3 224 B8R0.8 CC(C(=O)O)CNCC Amb13952782 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.8 CC(CCC#N)C(O)=O Amb24462559 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.8 CC(CCC=C)C(O)=O Amb18642656 [1,0,0,0,0,0|2,0,1]=4 227 B8R0.8 CC(CCC=O)C(O)=O Amb18642767 [1,0,0,0,0,0|3,0,0]=4 228 B8R0.8 CC(CCCBr)C(O)=O Amb25321670 [1,0,0,0,0,0|3,0,0]=4 229 B8R0.8 CC(CCCF)C(O)=O Amb25244585 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.8 CC(CCCN)C(O)=O Amb25146072 [1,0,0,0,0,0|3,0,0]=4 231 B8R0.8 CC(O)C(N)CCCC Amb24351619 [1,0,0,0,0,0|2,0,1]=4 232 B8R0.8 CCCCC(=C)C(O)=O Amb18642649 [1,0,0,0,0,0|2,0,1]=4 233 B8R0.8 CCCCC(=O)C(O)=O Amb18642761 [1,0,0,0,0,0|2,0,1]=4 234 B8R0.8 CCCCC(=O)C(O)=O Amb22348245 [1,0,0,0,0,0|2,0,1]=4 235 B8R0.8 CCCCC(Br)C(=O)Br Amb22347914 [1,0,0,0,0,0|3,0,0]=4 236 B8R0.8 CCCCC(Br)C(N)=O Amb19514624 [1,0,0,0,0,0|3,0,0]=4 237 B8R0.8 CCCCC(C(=O)C)N Amb1099238 [1,0,0,0,0,0|2,0,0]=3 238 B8R0.8 CCCCC(C(=O)Cl)Br Amb17569836 [1,0,0,0,0,0|3,0,0]=4 239 B8R0.8 CCCCC(C(=O)O)Cl Amb17593750 [1,0,0,0,0,0|2,0,0]=3 240 B8R0.8 CCCCC(Cl)C(=O)Cl Amb24634189 [1,0,0,0,0,0|3,0,0]=4 241 B8R0.8 CCCCC(F)C(O)=O Amb25238781 [1,0,0,0,0,0|2,0,0]=3 242 B8R0.8 CCCCC(I)C(C)=O Amb25314130 [1,0,0,0,0,0|3,0,0]=4 243 B8R0.8 CCCCC(N)C(C)=C Amb24353636 [1,0,0,0,0,0|3,0,0]=4 244 B8R0.8 CCCCC(N)C(C)=O Amb22284085 [1,0,0,0,0,0|2,0,0]=3 245 B8R0.8 CCCCC(N)C(N)=O Amb18303664 [1,0,0,0,0,0|2,0,0]=3 246 B8R0.8 CCCCC(N)C(N)=S Amb24764229 [1,0,0,0,0,0|2,1,0]=4 247 B8R0.8 CCCCC(N)P(O)O Amb24433379 [1,0,0,0,0,0|2,0,1]=4 248 B8R0.8 CCCCC(O)C(N)=O Amb24116640 [1,0,0,0,0,0|3,0,0]=4 249 B8R0.8 CCCCC(S)C(O)=O Amb25323873 [1,0,0,0,0,0|2,0,0]=3 250 B8R0.8 CCCC[C@@H](Br)C(=O)Cl Amb24695956 [1,0,0,0,0,0|3,0,0]=4 251 B8R0.8 CCCC[C@@H](Br)C(O)=O Amb24377169 [1,0,0,0,0,0|2,0,0]=3 252 B8R0.8 CCCC[C@@H](C(=O)O)N Amb1995007 [1,0,0,0,0,0|1,0,0]=2 253 B8R0.8 CCCC[C@@H](C)C(C)=O Amb25318801 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.8 CCCC[C@@H](C)C(O)=O Amb24590691 [1,0,0,0,0,0|2,0,0]=3 255 B8R0.8 CCCC[C@@H](N)C(N)=O Amb23438981 [1,0,0,0,0,0|2,0,0]=3 256 B8R0.8 CCCC[C@@H](S)C(O)=O Amb24478188 [1,0,0,0,0,0|2,0,0]=3 257 B8R0.8 CCCC[C@H](C(=O)O)N Amb1995006 [1,0,0,0,0,0|1,0,0]=2 258 B8R0.8 CCCC[C@H](C)C(C)=O Amb25767789 [1,0,0,0,0,0|3,0,0]=4 259 B8R0.8 CCCC[C@H](C)C(O)=O Amb25850678 [1,0,0,0,0,0|2,0,0]=3 260 B8R0.8 CCCC[C@H](N)C(N)=O Amb25361837 [1,0,0,0,0,0|2,0,0]=3 261 B8R0.8 CCCC[C@H](O)C(C)=O Amb24691364 [1,0,0,0,0,0|3,0,0]=4 262 B8R0.8 CCCO[C@H](C)C(O)=O Amb25721817 [1,0,0,0,0,0|3,0,0]=4 263 B8R0.8 CCNCC(N)C(N)=O Amb25841908 [1,0,0,0,0,0|3,0,0]=4 264 B8R0.8 CCOCC(Cl)C(O)=O Amb24481790 [1,0,0,0,0,0|3,0,0]=4 265 B8R0.8 CCOCC(O)C(O)=O Amb25804394 [1,0,0,0,0,0|3,0,0]=4 266 B8R0.8 CCOC[C@@H](C)C(O)=O Amb25790635 [1,0,0,0,0,0|3,0,0]=4 267 B8R0.8 CCOC[C@H](N)C(O)=O Amb22737184 [1,0,0,0,0,0|2,0,0]=3 268 B8R0.8 CCOC[C@H](N)C(O)=O Amb24478577 [1,0,0,0,0,0|2,0,0]=3 269 B8R0.8 CCOC[C@H](O)C(O)=O Amb24340099 [1,0,0,0,0,0|3,0,0]=4 270 B8R0.8 CCSCC(N)C(N)=O Amb24761235 [1,0,0,0,0,0|3,0,0]=4 271 B8R0.8 CCSC[C@@H](N)C(O)=O Amb22800347 [1,0,0,0,0,0|2,0,0]=3 272 B8R0.8 CCSC[C@H](N)C(N)=O Amb24393154 [1,0,0,0,0,0|3,0,0]=4 273 B8R0.8 CC\C=C\C(N)C(O)=O Amb18642708 [1,0,0,0,0,0|1,0,2]=4 274 B8R0.8 CNCCC(C)C(O)=O Amb24641803 [1,0,0,0,0,0|2,0,0]=3 275 B8R0.8 CNCCC(O)C(O)=O Amb24540612 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.8 CNCC[C@H](N)C(O)=O Amb24427654 [1,0,0,0,0,0|1,0,0]=2 277 B8R0.8 COCCC(C)C(N)=O Amb24760323 [1,0,0,0,0,0|2,1,0]=4 278 B8R0.8 COCCC(C)C(O)=O Amb18523823 [1,0,0,0,0,0|1,1,0]=3 279 B8R0.8 COCCC(Cl)C(C)=O Amb25707829 [1,0,0,0,0,0|2,1,0]=4 280 B8R0.8 COCCC(N)C(C)=C Amb24532850 [1,0,0,0,0,0|2,1,0]=4 281 B8R0.8 COCCC(N)C(C)=O Amb24496676 [1,0,0,0,0,0|1,1,0]=3 282 B8R0.8 COCCC(N)C(N)=O Amb18311365 [1,0,0,0,0,0|1,1,0]=3 283 B8R0.8 COCCC(O)C(=O)Cl Amb25781911 [1,0,0,0,0,0|2,1,0]=4 284 B8R0.8 COCC[C@@H](C(=O)O)N Amb16183872 [1,0,0,0,0,0|0,1,0]=2 285 B8R0.8 COCC[C@H](C(=O)O)N Amb16183870 [1,0,0,0,0,0|0,1,0]=2 286 B8R0.8 COCC[C@H](C)C(O)=O Amb24392969 [1,0,0,0,0,0|1,1,0]=3 287 B8R0.8 COCC[C@H](N)C(O)=O Amb24054991 [1,0,0,0,0,0|0,1,0]=2 288 B8R0.8 COCO[C@@H](C)C(O)=O Amb25682837 [1,0,0,0,0,0|2,1,0]=4 289 B8R0.8 COCO[C@H](C)C(O)=O Amb25706272 [1,0,0,0,0,0|2,1,0]=4 290 B8R0.8 CONCC(N)C(O)=O Amb24392137 [1,0,0,0,0,0|1,1,0]=3 291 B8R0.8 CONC[C@H](N)C(O)=O Amb25376688 [1,0,0,0,0,0|1,1,0]=3 292 B8R0.8 CO\C=C\C(N)C(O)=O Amb18642835 [1,0,0,0,0,0|0,1,2]=4 293 B8R0.8 CO\C=C\[C@H](N)C(O)=O Amb24478831 [1,0,0,0,0,0|0,1,2]=4 294 B8R0.8 CPOCC(N)C(O)=O Amb24423934 [1,0,0,0,0,0|2,0,0]=3 295 B8R0.8 CSCCC(=O)C(O)=O Amb18643588 [1,0,0,0,0,0|1,0,2]=4 296 B8R0.8 CSCCC(=O)C(O)=O Amb22274154 [1,0,0,0,0,0|1,0,2]=4 297 B8R0.8 CSCCC(Br)C(O)=O Amb24682715 [1,0,0,0,0,0|1,0,1]=3 298 B8R0.8 CSCCC(C(=O)Cl)N Amb17142908 [1,0,0,0,0,0|1,0,1]=3 299 B8R0.8 CSCCC(C(=O)N)N Amb17142872 [1,0,0,0,0,0|1,0,1]=3 300 B8R0.8 CSCCC(C(=O)O)N Amb1154122 [1,0,0,0,0,0|0,0,1]=2 301 B8R0.8 CSCCC(C)C(C)=O Amb24650560 [1,0,0,0,0,0|2,0,1]=4 302 B8R0.8 CSCCC(C)C(O)=O Amb24739356 [1,0,0,0,0,0|1,0,1]=3 303 B8R0.8 CSCCC(Cl)C(N)=O Amb18185555 [1,0,0,0,0,0|2,0,1]=4 304 B8R0.8 CSCCC(N)C(=O)S Amb24407336 [1,0,0,0,0,0|0,1,1]=3 305 B8R0.8 CSCCC(N)C(C)=C Amb25042760 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.8 CSCCC(N)C(O)=O Amb22168296 [1,0,0,0,0,0|0,0,1]=2 307 B8R0.8 CSCCC(N)C(O)=O Amb22732346 [1,0,0,0,0,0|0,0,1]=2 308 B8R0.8 CSCCC(N)P(O)=O Amb25362071 [1,0,0,0,0,0|1,0,1]=3 309 B8R0.8 CSCCC(N)P(O)O Amb24594969 [1,0,0,0,0,0|1,0,2]=4 310 B8R0.8 CSCCC(N)[13C](O)=O Amb22336208 [1,0,0,0,0,0|0,0,1]=2 311 B8R0.8 CSCCC(O)C(C)=O Amb24741882 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.8 CSCCC(O)C(N)=O Amb20669403 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.8 CSCCC(O)C(O)=O Amb18304609 [1,0,0,0,0,0|1,0,1]=3 314 B8R0.8 CSCC[C@@H](Cl)C(=O)Cl Amb24544524 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.8 CSCC[C@@H](N)C(N)=O Amb18035930 [1,0,0,0,0,0|1,0,1]=3 316 B8R0.8 CSCC[C@@H](N)C(N)=O Amb22750575 [1,0,0,0,0,0|1,0,1]=3 317 B8R0.8 CSCC[C@@H](O)C(O)=O Amb25124092 [1,0,0,0,0,0|1,0,1]=3 318 B8R0.8 CSCC[C@@H](S)C(O)=O Amb24340077 [1,0,0,0,0,0|1,0,1]=3 319 B8R0.8 CSCC[C@H](Br)C(O)=O Amb25239326 [1,0,0,0,0,0|1,0,1]=3 320 B8R0.8 CSCC[C@H](Cl)C(=O)Cl Amb25135376 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.8 CSCC[C@H](N)C(O)=O Amb17942996 [1,0,0,0,0,0|0,0,1]=2 322 B8R0.8 CSCC[C@H](N)C(O)=O Amb22351191 [1,0,0,0,0,0|0,0,1]=2 323 B8R0.8 CSCC[C@H](N)P(O)=O Amb25826489 [1,0,0,0,0,0|1,0,1]=3 324 B8R0.8 CSCC[C@H]([15NH2])C(O)=O Amb22353588 [1,0,0,0,0,0|0,0,1]=2 325 B8R0.8 CSOC[C@H](N)C(O)=O Amb24428229 [1,0,0,0,0,0|1,0,1]=3 326 B8R0.8 CS[13CH2][13CH2][13CH]([13C](=O)O)O Amb17615592 [1,0,0,0,0,0|1,0,1]=3 327 B8R0.8 C[C@@H](CCCBr)C(O)=O Amb24480227 [1,0,0,0,0,0|3,0,0]=4 328 B8R0.8 C[C@H](C(=O)O)CSCC Amb10844108 [1,0,0,0,0,0|3,0,0]=4 329 B8R0.8 C[C@H](CCC#N)C(O)=O Amb25790580 [1,0,0,0,0,0|3,0,0]=4 330 B8R0.8 C[C@H](CCC=C)C(O)=O Amb24337306 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.8 C[C@H](CCCBr)C(O)=O Amb24480175 [1,0,0,0,0,0|3,0,0]=4 332 B8R0.8 C[C@H](O)[C@H](N)CCCC Amb25378726 [1,0,0,0,0,0|2,0,1]=4 333 B8R0.8 C[Se]CCC(N)C(O)=O Amb20619393 [1,0,0,0,0,0|0,1,0]=2 334 B8R0.8 C[Se]CC[C@H](C(=O)O)N Amb10601590 [1,0,0,0,0,0|0,1,0]=2 335 B8R0.8 C\C=C/C[C@H](N)C(O)=O Amb24713154 [1,0,0,0,0,0|1,0,1]=3 336 B8R0.8 C\C=C\CC(C)C(O)=O Amb18642630 [1,0,0,0,0,0|2,0,1]=4 337 B8R0.8 C\C=C\CC(O)C(O)=O Amb18642742 [1,0,0,0,0,0|2,0,1]=4 338 B8R0.8 C\C=C\C[C@@H](N)C(O)=O Amb24632390 [1,0,0,0,0,0|1,0,1]=3 339 B8R0.8 NC(C(=O)O)CCON Amb17593409 [1,0,0,0,0,0|1,1,0]=3 340 B8R0.8 NC(C(=O)O)CSC#N Amb17593655 [1,0,0,0,0,0|3,0,0]=4 341 B8R0.8 NC(CCC#N)C(O)=O Amb18642589 [1,0,0,0,0,0|2,0,0]=3 342 B8R0.8 NC(CCC=O)C(O)=O Amb24340141 [1,0,0,0,0,0|2,0,0]=3 343 B8R0.8 NC(CCCBr)C(O)=O Amb24480263 [1,0,0,0,0,0|2,0,0]=3 344 B8R0.8 NC(CCCBr)P(O)=O Amb24377501 [1,0,0,0,0,0|3,0,0]=4 345 B8R0.8 NC(CCCCl)C(O)=O Amb24472387 [1,0,0,0,0,0|2,0,0]=3 346 B8R0.8 NC(CCCF)C(O)=O Amb25366994 [1,0,0,0,0,0|2,0,0]=3 347 B8R0.8 NC(CCCO)C(O)=O Amb18642915 [1,0,0,0,0,0|2,0,0]=3 348 B8R0.8 NC(CCCO)C(O)=O Amb22900028 [1,0,0,0,0,0|2,0,0]=3 349 B8R0.8 NC(CCCO)P(O)=O Amb25726221 [1,0,0,0,0,0|3,0,0]=4 350 B8R0.8 NC(CN=C=O)C(O)=O Amb24423805 [1,0,0,0,0,0|3,0,0]=4 351 B8R0.8 NC(COCO)C(O)=O Amb24731952 [1,0,0,0,0,0|3,0,0]=4 352 B8R0.8 NC(CSC=O)C(O)=O Amb24670042 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.8 NCCCC(C(=O)O)Br Amb17595166 [1,0,0,0,0,0|3,0,0]=4 354 B8R0.8 NCCCC(Cl)C(O)=O Amb24626933 [1,0,0,0,0,0|3,0,0]=4 355 B8R0.8 NCCCC(N)C(N)=O Amb24118008 [1,0,0,0,0,0|3,0,0]=4 356 B8R0.8 NCCCC(N)C(O)=O Amb22489477 [1,0,0,0,0,0|2,0,0]=3 357 B8R0.8 NCCCC(N)C(O)=O Amb22492665 [1,0,0,0,0,0|2,0,0]=3 358 B8R0.8 NCCCC(O)C(O)=O Amb18124377 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.8 NCCC[C@@H](N)C(O)=O Amb22801212 [1,0,0,0,0,0|2,0,0]=3 360 B8R0.8 NCCC[C@@H](O)C(O)=O Amb24459740 [1,0,0,0,0,0|3,0,0]=4 361 B8R0.8 NCCC[C@@H]([NH3+])C(=O)O Amb10807472 [1,0,0,0,0,0|2,0,1]=4 362 B8R0.8 NCCC[C@H](N)C(N)=O Amb24658293 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.8 NCCC[C@H](N)C(O)=O Amb20240598 [1,0,0,0,0,0|2,0,0]=3 364 B8R0.8 NOCCC(N)C(O)=O Amb21858490 [1,0,0,0,0,0|1,1,0]=3 365 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22745427 [1,0,0,0,0,0|1,1,0]=3 366 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22751695 [1,0,0,0,0,0|1,1,0]=3 367 B8R0.8 N[C@@H](CCC=O)C(O)=O Amb25378080 [1,0,0,0,0,0|2,0,0]=3 368 B8R0.8 N[C@@H](CCCN)C(O)=O Amb22746434 [1,0,0,0,0,0|2,0,0]=3 369 B8R0.8 N[C@@H](CCNO)C(O)=O Amb24117852 [1,0,0,0,0,0|2,0,0]=3 370 B8R0.8 N[C@@H](CCNO)C(O)=O Amb24666196 [1,0,0,0,0,0|2,0,0]=3 371 B8R0.8 N[C@@H](CN=C=S)C(O)=O Amb24473247 [1,0,0,0,0,0|3,0,0]=4 372 B8R0.8 N[C@@H](CNC#N)C(O)=O Amb24551015 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.8 N[C@@H](C\C=C\Cl)C(O)=O Amb25774032 [1,0,0,0,0,0|2,0,1]=4 374 B8R0.8 N[C@H](C(=O)O)CCC#N Amb16183912 [1,0,0,0,0,0|2,0,0]=3 375 B8R0.8 N[C@H](CCC#N)C(O)=O Amb25063958 [1,0,0,0,0,0|2,0,0]=3 376 B8R0.8 N[C@H](CCC=O)C(O)=O Amb24477812 [1,0,0,0,0,0|2,0,0]=3 377 B8R0.8 N[C@H](C\C=C\Cl)C(O)=O Amb25114338 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.8 OC(=O)C(Br)CCCBr Amb22001929 [1,0,0,0,0,0|3,0,0]=4 379 B8R0.8 OC(=O)C(CCCCl)Br Amb17595866 [1,0,0,0,0,0|3,0,0]=4 380 B8R0.8 OC(=O)C(F)CCCCl Amb24683810 [1,0,0,0,0,0|3,0,0]=4 381 B8R0.8 OCCCC(Cl)C(O)=O Amb25760339 [1,0,0,0,0,0|3,0,0]=4 382 B8R0.8 OCCCC(O)C(O)=O Amb18642939 [1,0,0,0,0,0|3,0,0]=4 383 B8R0.8 OCCC[C@@H](C(=O)O)N Amb16183887 [1,0,0,0,0,0|2,0,0]=3 384 B8R0.8 OCCC[C@H](O)C(O)=O Amb24744314 [1,0,0,0,0,0|3,0,0]=4 385 B8R0.8 [13CH3]SCCC(N)C(O)=O Amb22351494 [1,0,0,0,0,0|0,0,1]=2 386 B8R0.8 [13CH3][Se]CCC(N)C(O)=O Amb22367237 [1,0,0,0,0,0|0,1,0]=2 387 B8R0.8 [N-]=[N+]=NC[C@H](N)C(O)=O Amb25072668 [1,0,0,0,0,0|3,0,0]=4 388 B8R0.9 CC(=C)CCC(N)CO Amb25775333 [1,0,0,0,0,0|1,0,2]=4 389 B8R0.9 CC(=O)CCC(Cl)C=O Amb25275061 [1,0,0,0,0,0|3,0,0]=4 390 B8R0.9 CC(=O)CCC(N)CO Amb25257834 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.9 CC(C)=CCC(N)CO Amb25320777 [1,0,0,0,0,0|1,0,2]=4 392 B8R0.9 CC(C)CCC(Br)C=O Amb24480019 [1,0,0,0,0,0|2,0,0]=3 393 B8R0.9 CC(C)CCC(C)C=O Amb24478638 [1,0,0,0,0,0|2,0,0]=3 394 B8R0.9 CC(C)CCC(C)CO Amb24478637 [1,0,0,0,0,0|2,0,1]=4 395 B8R0.9 CC(C)CCC(C)NO Amb25778747 [1,0,0,0,0,0|3,0,0]=4 396 B8R0.9 CC(C)CCC(N)C=C Amb24478663 [1,0,0,0,0,0|2,0,0]=3 397 B8R0.9 CC(C)CCC(N)CN Amb25336845 [1,0,0,0,0,0|2,0,1]=4 398 B8R0.9 CC(C)CCC(N)CO Amb18832528 [1,0,0,0,0,0|1,0,1]=3 399 B8R0.9 CC(C)CCC(O)C=O Amb24607253 [1,0,0,0,0,0|2,0,0]=3 400 B8R0.9 CC(C)CCN(C)C=O Amb24725180 [1,0,0,0,0,0|3,0,0]=4 401 B8R0.9 CC(C)CC[C@H](C)CO Amb25781634 [1,0,0,0,0,0|2,0,1]=4 402 B8R0.9 CC(C)CSC(C)C=O Amb25695882 [1,0,0,0,0,0|3,0,0]=4 403 B8R0.9 CC(C)NCC(N)CO Amb24570954 [1,0,0,0,0,0|2,0,1]=4 404 B8R0.9 CC(C)OCC(Br)C=O Amb25147129 [1,0,0,0,0,0|3,0,0]=4 405 B8R0.9 CC(C)SCC(N)CO Amb25092343 [1,0,0,0,0,0|2,0,1]=4 406 B8R0.9 CC(CC=C(C)C)C=O Amb18642441 [1,0,0,0,0,0|2,0,1]=4 407 B8R0.9 CC(CCC(C)=C)C=O Amb18642470 [1,0,0,0,0,0|2,0,1]=4 408 B8R0.9 CC(CCC(C)=O)C=O Amb18642612 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.9 CC(CCC(C)O)C=O Amb25781383 [1,0,0,0,0,0|3,0,0]=4 410 B8R0.9 CC(CC\C(=N/O)\N)C Amb10608991 [1,0,0,0,0,0|2,0,1]=4 411 B8R0.9 CC(CC\C(=N\O)\N)C Amb10205331 [1,0,0,0,0,0|2,0,1]=4 412 B8R0.9 CC(O)CCC(O)C=O Amb18642880 [1,0,0,0,0,0|3,0,0]=4 413 B8R0.9 CCC(N)CCN(C)C Amb18203193 [1,0,0,0,0,0|2,0,1]=4 414 B8R0.9 CC[C@H](N)CCN(C)C Amb24481832 [1,0,0,0,0,0|2,0,1]=4 415 B8R0.9 CN(C)CCC(F)C=O Amb25836712 [1,0,0,0,0,0|2,0,0]=3 416 B8R0.9 CN(C)CCC(N)C#N Amb18302955 [1,0,0,0,0,0|2,0,1]=4 417 B8R0.9 CN(C)CCC(N)C=C Amb25185375 [1,0,0,0,0,0|2,0,0]=3 418 B8R0.9 CN(C)CCC(O)C=C Amb24649110 [1,0,0,0,0,0|3,0,0]=4 419 B8R0.9 CN(C)CCN(C)C=O Amb22344699 [1,0,0,0,0,0|3,0,0]=4 420 B8R0.9 C[C@@H](CC=C(C)C)C=O Amb24741555 [1,0,0,0,0,0|2,0,1]=4 421 B8R0.9 C[C@@H](CCC(C)=O)C=O Amb24441758 [1,0,0,0,0,0|3,0,0]=4 422 B8R0.9 N[C@@H](CCC(N)=O)C=O Amb25104754 [1,0,0,0,0,0|3,0,0]=4 423 B8R0.9 N[C@@H](CCC(O)=O)C=O Amb24347675 [1,0,0,0,0,0|3,0,0]=4 424 B8R0.9 O\N=C(\CCN(C)C)/N Amb1118599 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [1,0,0,0,0,0|2,0,1]=4 426 B8R0.28 CC(=C)CCCC(C)=O Amb17739959 [1,0,0,0,0,0|2,0,1]=4 427 B8R0.28 CC(=N)NCCC(O)=O Amb25836109 [1,0,0,0,0,0|3,0,0]=4 428 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [1,0,0,0,0,0|3,0,0]=4 429 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [1,0,0,0,0,0|3,0,0]=4 430 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,0,0|2,0,0]=3 431 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,0,0|3,0,0]=4 432 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,0,0|3,0,0]=4 433 B8R0.28 CC(=O)CCO[SiH](C)C Amb25233637 [1,0,0,0,0,0|3,0,0]=4 434 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [1,0,0,0,0,0|3,0,0]=4 435 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [1,0,0,0,0,0|3,0,0]=4 436 B8R0.28 CC(=S)SCCC(O)=O Amb24480281 [1,0,0,0,0,0|3,0,0]=4 437 B8R0.28 CC(Br)=CCCC(O)=O Amb25200944 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.28 CC(Br)CCCC(=O)Cl Amb25364942 [1,0,0,0,0,0|3,0,0]=4 439 B8R0.28 CC(Br)CCCC(C)=O Amb24340312 [1,0,0,0,0,0|3,0,0]=4 440 B8R0.28 CC(Br)CCCC(O)=O Amb24480052 [1,0,0,0,0,0|2,0,0]=3 441 B8R0.28 CC(C)/C=C/CC(O)=O Amb17844074 [1,0,0,0,0,0|1,0,2]=4 442 B8R0.28 CC(C)=CCCC(N)=O Amb24655596 [1,0,0,0,0,0|2,0,1]=4 443 B8R0.28 CC(C)CCCB(O)O Amb24593360 [1,0,0,0,0,0|2,0,1]=4 444 B8R0.28 CC(C)CCCC(=O)Cl Amb24477882 [1,0,0,0,0,0|2,0,0]=3 445 B8R0.28 CC(C)CCCC(C)=C Amb22228386 [1,0,0,0,0,0|3,0,0]=4 446 B8R0.28 CC(C)CCCC(N)=N Amb23569433 [1,0,0,0,0,0|3,0,0]=4 447 B8R0.28 CC(C)CCCC(N)=O Amb24579456 [1,0,0,0,0,0|2,0,0]=3 448 B8R0.28 CC(C)CCCS(C)=O Amb24577266 [1,0,0,0,0,0|3,0,0]=4 449 B8R0.28 CC(C)CCC[C@@H](C)O Amb22746847 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.28 CC(C)CCNC(=O)Cl Amb25378849 [1,0,0,0,0,0|3,0,0]=4 451 B8R0.28 CC(C)CCOC(N)=O Amb25299964 [1,0,0,0,0,0|3,0,0]=4 452 B8R0.28 CC(C)CCSC(N)=O Amb24680835 [1,0,0,0,0,0|3,0,0]=4 453 B8R0.28 CC(C)CNCC(C)=O Amb25067661 [1,0,0,0,0,0|3,0,0]=4 454 B8R0.28 CC(C)CNCC(O)=O Amb19373106 [1,0,0,0,0,0|2,0,0]=3 455 B8R0.28 CC(C)CNCS(O)=O Amb24478690 [1,0,0,0,0,0|3,0,0]=4 456 B8R0.28 CC(C)CSCC(N)=O Amb25283648 [1,0,0,0,0,0|3,0,0]=4 457 B8R0.28 CC(C)OCCC(=O)Cl Amb24423336 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.28 CC(C)OCCC(C)=O Amb22229804 [1,0,0,0,0,0|3,0,0]=4 459 B8R0.28 CC(C)OCCC(N)=O Amb25783535 [1,0,0,0,0,0|3,0,0]=4 460 B8R0.28 CC(C)OCCS(O)=O Amb24551322 [1,0,0,0,0,0|3,0,0]=4 461 B8R0.28 CC(C)ONCC(O)=O Amb24690245 [1,0,0,0,0,0|3,0,0]=4 462 B8R0.28 CC(C)SCCC(N)=O Amb25739954 [1,0,0,0,0,0|3,0,0]=4 463 B8R0.28 CC(C)SSCC(O)=O Amb24425479 [1,0,0,0,0,0|3,0,0]=4 464 B8R0.28 CC(CCCC(=O)O)O Amb2371277 [1,0,0,0,0,0|2,0,0]=3 465 B8R0.28 CC(CCCC(=O)[O-])O Amb17615415 [1,0,0,0,0,0|2,0,1]=4 466 B8R0.28 CC(CCNC(=O)N)C Amb1104833 [1,0,0,0,0,0|3,0,0]=4 467 B8R0.28 CC(CNCC(=O)N)C Amb1118171 [1,0,0,0,0,0|3,0,0]=4 468 B8R0.28 CC(COCC(=O)N)C Amb2131093 [1,0,0,0,0,0|3,0,0]=4 469 B8R0.28 CC(CSCC(=O)O)C Amb1134811 [1,0,0,0,0,0|2,0,0]=3 470 B8R0.28 CC(Cl)CCCC(C)=O Amb25724389 [1,0,0,0,0,0|3,0,0]=4 471 B8R0.28 CC(Cl)CCCC(O)=O Amb24740888 [1,0,0,0,0,0|2,0,0]=3 472 B8R0.28 CC(Cl)COCC(O)=O Amb24480258 [1,0,0,0,0,0|3,0,0]=4 473 B8R0.28 CC(N)CCCC(O)=O Amb22059416 [1,0,0,0,0,0|2,0,0]=3 474 B8R0.28 CC(N)COCC(O)=O Amb25368702 [1,0,0,0,0,0|3,0,0]=4 475 B8R0.28 CC(NCCC(=O)O)C Amb1106349 [1,0,0,0,0,0|2,0,0]=3 476 B8R0.28 CC(O)CCCC(C)=O Amb24340114 [1,0,0,0,0,0|3,0,0]=4 477 B8R0.28 CC(O)CCCC(N)=O Amb24622764 [1,0,0,0,0,0|3,0,0]=4 478 B8R0.28 CC(O)CCCN(C)C Amb24271102 [1,0,0,0,0,0|2,0,1]=4 479 B8R0.28 CC(O)CSCC(O)=O Amb19005278 [1,0,0,0,0,0|3,0,0]=4 480 B8R0.28 CN(C)C=NCC(O)=O Amb24740176 [1,0,0,0,0,0|2,0,1]=4 481 B8R0.28 CN(C)CC#CC(O)=O Amb24471923 [1,0,0,0,0,0|1,0,2]=4 482 B8R0.28 CN(C)CCCB(O)O Amb24069054 [1,0,0,0,0,0|2,0,1]=4 483 B8R0.28 CN(C)CCCC(O)O Amb24544945 [1,0,0,0,0,0|1,0,2]=4 484 B8R0.28 CN(C)CCC[SiH](O)O Amb24739265 [1,0,0,0,0,0|1,1,1]=4 485 B8R0.28 CN(C)CCNC(O)=S Amb25106929 [1,0,0,0,0,0|2,1,0]=4 486 B8R0.28 CN(C)NCCC(O)=O Amb24113891 [1,0,0,0,0,0|2,0,0]=3 487 B8R0.28 CN(CCNC(=O)N)C Amb1129425 [1,0,0,0,0,0|3,0,0]=4 488 B8R0.28 CN(C\C=C\C(=O)O)C Amb15695416 [1,0,0,0,0,0|1,0,2]=4 489 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [1,0,0,0,0,0|1,0,1]=3 490 B8R0.28 C[C@@H](N)CCCC(O)=O Amb24435680 [1,0,0,0,0,0|2,0,0]=3 491 B8R0.28 C[C@@H](N)COCC(O)=O Amb24641471 [1,0,0,0,0,0|3,0,0]=4 492 B8R0.28 C[C@H](N)COCC(O)=O Amb25305053 [1,0,0,0,0,0|3,0,0]=4 493 B8R0.28 C[C@H](O)CCCC(O)=O Amb25842809 [1,0,0,0,0,0|2,0,0]=3 494 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [1,0,0,0,0,0|3,0,0]=4 495 B8R0.28 OC(=O)CCC=C(C)C Amb10601609 [1,0,0,0,0,0|1,0,1]=3 496 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [1,0,0,0,0,0|3,0,0]=4 497 B8R0.28 OC(=O)CCCC(Cl)Cl Amb24479944 [1,0,0,0,0,0|3,0,0]=4 498 B8R0.28 OC(=O)CCCC(F)F Amb24117996 [1,0,0,0,0,0|3,0,0]=4 499 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [1,0,0,0,0,0|3,0,0]=4 500 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [1,0,0,0,0,0|3,0,0]=4 501 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [1,0,0,0,0,0|3,0,0]=4 502 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [1,0,0,0,0,0|3,0,0]=4 503 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [1,0,0,0,0,0|3,0,0]=4 504 B8R0.28 OC(O)CCCC(O)=O Amb25205498 [1,0,0,0,0,0|3,0,0]=4 505 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [1,0,0,0,0,0|3,0,0]=4 506 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [1,0,0,0,0,0|3,0,0]=4 507 B10R0.12 CS(=O)CCC(N)P(O)(O)=O Amb25386012 [0,1,0,0,0,0|2,0,1]=4 508 B10R0.13 CC(=C)CC(C)C(C)C(O)=O Amb24762085 [0,1,0,0,0,0|2,0,1]=4 509 B10R0.13 CC(=O)CC(C)C(C)C(O)=O Amb18126130 [0,1,0,0,0,0|3,0,0]=4 510 B10R0.13 CC(=O)OC(C)C(N)C(O)=O Amb25385009 [0,1,0,0,0,0|3,0,0]=4 511 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(O)=O Amb22747815 [0,1,0,0,0,0|3,0,0]=4 512 B10R0.13 CC(C)=CC(C)C(N)C(O)=O Amb24484645 [0,1,0,0,0,0|1,0,1]=3 513 B10R0.13 CC(C)CC(C)C(=O)C(O)=O Amb18645040 [0,1,0,0,0,0|2,0,1]=4 514 B10R0.13 CC(C)CC(C)C(C)C(C)=O Amb24765124 [0,1,0,0,0,0|3,0,0]=4 515 B10R0.13 CC(C)CC(C)C(Cl)C(N)=O Amb24750741 [0,1,0,0,0,0|3,0,0]=4 516 B10R0.13 CC(C)CC(C)C(F)C(O)=O Amb24761994 [0,1,0,0,0,0|2,0,0]=3 517 B10R0.13 CC(C)CC(C)C(N)C(N)=O Amb24750735 [0,1,0,0,0,0|2,0,0]=3 518 B10R0.13 CC(C)CC(C)C(N)C(O)=O Amb25384855 [0,1,0,0,0,0|1,0,0]=2 519 B10R0.13 CC(C)CC(C)C(O)C(N)=O Amb24750740 [0,1,0,0,0,0|3,0,0]=4 520 B10R0.13 CC(C)CC(N)C(O)C(O)=O Amb18645488 [0,1,0,0,0,0|2,0,0]=3 521 B10R0.13 CC(C)CC(O)C(=C)C(O)=O Amb25384598 [0,1,0,0,0,0|2,0,1]=4 522 B10R0.13 CC(C)CC(O)C(C)C(C)=O Amb24765290 [0,1,0,0,0,0|3,0,0]=4 523 B10R0.13 CC(C)CC(O)C(C)C(N)=O Amb25385675 [0,1,0,0,0,0|3,0,0]=4 524 B10R0.13 CC(C)CC(O)C(C)C(O)=O Amb18310730 [0,1,0,0,0,0|2,0,0]=3 525 B10R0.13 CC(C)CC(O)C(F)C(C)=O Amb25383623 [0,1,0,0,0,0|3,0,0]=4 526 B10R0.13 CC(C)CC(O)C(O)C(C)=O Amb24765153 [0,1,0,0,0,0|3,0,0]=4 527 B10R0.13 CC(C)CS(=O)C(C)C(O)=O Amb18314642 [0,1,0,0,0,0|3,0,0]=4 528 B10R0.13 CC(C)C[C@@H](N)[C@@H](C)C(O)=O Amb25385753 [0,1,0,0,0,0|2,0,0]=3 529 B10R0.13 CC(C)C[C@@H](N)[C@@H](O)C(O)=O Amb22746335 [0,1,0,0,0,0|2,0,0]=3 530 B10R0.13 CC(C)C[C@@H](O)[C@H](C)C(N)=O Amb24764529 [0,1,0,0,0,0|3,0,0]=4 531 B10R0.13 CC(C)C[C@@H](O)[C@H](C)C(O)=O Amb25384994 [0,1,0,0,0,0|2,0,0]=3 532 B10R0.13 CC(C)OC(C)C(N)C(O)=O Amb25386033 [0,1,0,0,0,0|2,0,0]=3 533 B10R0.13 CC(CC(O)=O)C(N)C(O)=O Amb23440872 [0,1,0,0,0,0|3,0,0]=4 534 B10R0.13 CC(O)CC(N)C(O)C(O)=O Amb25384591 [0,1,0,0,0,0|3,0,0]=4 535 B10R0.13 CC(OP(C)=O)C(N)C(O)=O Amb25383442 [0,1,0,0,0,0|3,0,0]=4 536 B10R0.13 C[C@@H](CC(O)=O)[C@@H](N)C(O)=O Amb19133152 [0,1,0,0,0,0|3,0,0]=4 537 B10R0.13 C[C@@H](CC(O)=O)[C@H](N)C(O)=O Amb19133150 [0,1,0,0,0,0|3,0,0]=4 538 B10R0.13 C[C@H](O)C[C@@H](N)[C@H](O)C(O)=O Amb25382155 [0,1,0,0,0,0|3,0,0]=4 539 B10R0.13 C[C@H](O)C[C@H](O)[C@@H](O)C(O)=O Amb25385175 [0,1,0,0,0,0|3,0,0]=4 540 B10R0.13 C[C@H](O)C[C@H](O)[C@H](O)C(O)=O Amb25385154 [0,1,0,0,0,0|3,0,0]=4 541 B10R0.13 NC(C(O)CC(O)=O)C(O)=O Amb25383245 [0,1,0,0,0,0|3,0,0]=4 542 B10R0.13 NC(CC(O)=O)C(N)C(O)=O Amb25386391 [0,1,0,0,0,0|3,0,0]=4 543 B10R0.13 NC(CC(O)=O)[C@H](N)C(O)=O Amb24764806 [0,1,0,0,0,0|3,0,0]=4 544 B10R0.13 N[C@@H](C(Cl)CC(O)=O)C(O)=O Amb24764556 [0,1,0,0,0,0|3,0,0]=4 545 B10R0.13 N[C@@H](C(O)CC(O)=O)C(O)=O Amb22746926 [0,1,0,0,0,0|3,0,0]=4 546 B10R0.13 N[C@@H]([C@@H](Cl)CC(O)=O)C(O)=O Amb25386256 [0,1,0,0,0,0|3,0,0]=4 547 B10R0.13 N[C@@H]([C@@H](F)CC(O)=O)C(O)=O Amb25386225 [0,1,0,0,0,0|3,0,0]=4 548 B10R0.13 N[C@@H]([C@H](F)CC(O)=O)C(O)=O Amb25386224 [0,1,0,0,0,0|3,0,0]=4 549 B10R0.13 N[C@H](C(F)CC(O)=O)C(O)=O Amb25383802 [0,1,0,0,0,0|3,0,0]=4 550 B10R0.13 OC(=O)C[C@@H]([C@H](C(=O)O)N)C Amb17617452 [0,1,0,0,0,0|3,0,0]=4 551 B10R0.13 OC(=O)C[C@H]([C@@H](C(=O)O)N)C Amb17617455 [0,1,0,0,0,0|3,0,0]=4 552 B10R0.43 CC(=C)CCC(C)(C)C(O)=O Amb18126019 [0,1,0,0,0,0|2,0,1]=4 553 B10R0.43 CC(=O)CCC(C)(C)C(O)=O Amb18645019 [0,1,0,0,0,0|3,0,0]=4 554 B10R0.43 CC(C)=CCC(C)(C)C(O)=O Amb18644831 [0,1,0,0,0,0|2,0,1]=4 555 B10R0.43 CC(C)=CCC(C)(N)C(N)=O Amb25080917 [0,1,0,0,0,0|2,0,1]=4 556 B10R0.43 CC(C)=CC[C@@](C)(N)C(N)=O Amb24695160 [0,1,0,0,0,0|2,0,1]=4 557 B10R0.43 CC(C)=CC[C@@](C)(N)C(O)=O Amb25361062 [0,1,0,0,0,0|1,0,1]=3 558 B10R0.43 CC(C)=CC[C@@](C)(O)C(O)=O Amb25059182 [0,1,0,0,0,0|2,0,1]=4 559 B10R0.43 CC(C)=CC[C@](C)(N)C(N)=O Amb24399266 [0,1,0,0,0,0|2,0,1]=4 560 B10R0.43 CC(C)=CC[C@](C)(N)C(O)=O Amb24559849 [0,1,0,0,0,0|1,0,1]=3 561 B10R0.43 CC(C)CCC(C)(C)C(N)=O Amb24764697 [0,1,0,0,0,0|3,0,0]=4 562 B10R0.43 CC(C)CCC(C)(C)C(O)=O Amb18182372 [0,1,0,0,0,0|2,0,0]=3 563 B10R0.43 CC(C)CCC(C)(F)C(O)=O Amb25383826 [0,1,0,0,0,0|2,0,0]=3 564 B10R0.43 CC(C)CCC(C)(N)C(N)=O Amb18303455 [0,1,0,0,0,0|2,0,0]=3 565 B10R0.43 CC(C)CCC(C)(O)C(N)=O Amb18183354 [0,1,0,0,0,0|3,0,0]=4 566 B10R0.43 CC(C)CCC(C)(O)C(O)=O Amb19011235 [0,1,0,0,0,0|2,0,0]=3 567 B10R0.43 CC(C)CCC(F)(F)C(O)=O Amb25383699 [0,1,0,0,0,0|2,0,0]=3 568 B10R0.43 CC(C)NCC(C)(O)C(O)=O Amb24761792 [0,1,0,0,0,0|3,0,0]=4 569 B10R0.43 CC(C)OCC(C)(N)C(N)=O Amb18787975 [0,1,0,0,0,0|3,0,0]=4 570 B10R0.43 CC(C)OCC(C)(N)C(O)=O Amb18788053 [0,1,0,0,0,0|2,0,0]=3 571 B10R0.43 CC(C)SCC(C)(N)C(N)=O Amb18790787 [0,1,0,0,0,0|3,0,0]=4 572 B10R0.43 CC(C)SCC(C)(N)C(O)=O Amb18178454 [0,1,0,0,0,0|2,0,0]=3 573 B10R0.43 CC(C)SCC(C)(O)C(O)=O Amb18648145 [0,1,0,0,0,0|3,0,0]=4 574 B10R0.43 CC(CNC(C(=O)O)(C)C)C Amb17400057 [0,1,0,0,0,0|3,0,0]=4 575 B10R0.43 CC(CSC(C(=O)O)(C)C)C Amb17501491 [0,1,0,0,0,0|3,0,0]=4 576 B10R0.43 CC(N)(CCC(N)=O)C(O)=O Amb25385217 [0,1,0,0,0,0|3,0,0]=4 577 B10R0.43 CC(N)(CCC(O)=O)C(O)=O Amb22801426 [0,1,0,0,0,0|3,0,0]=4 578 B10R0.43 CN(C)CCC(C)(N)C(N)=O Amb18800165 [0,1,0,0,0,0|2,0,0]=3 579 B10R0.43 CN(C)CCC(C)(N)C(O)=O Amb18800387 [0,1,0,0,0,0|1,0,0]=2 580 B10R0.43 CN(C)NCC(C)(O)C(O)=O Amb25383980 [0,1,0,0,0,0|3,0,0]=4 581 B10R0.43 CS(=O)CCC(C)(C)C(O)=O Amb24765541 [0,1,0,0,0,0|2,0,1]=4 582 B10R0.43 C[C@](N)(CCB(O)O)C(O)=O Amb25383752 [0,1,0,0,0,0|3,0,0]=4 583 B10R0.43 NC(=O)CCC(C(=O)O)(F)N Amb10839407 [0,1,0,0,0,0|3,0,0]=4 584 B10R0.57 CC(=O)NC[C@@H](N)C(=O)OC Amb25385079 [0,1,0,0,0,0|3,0,0]=4 585 B10R0.57 CC(C)=CC[C@@H](N)C(=O)OC Amb24764707 [0,1,0,0,0,0|1,0,1]=3 586 B10R0.57 CC(C)=CC[C@H](N)C(=O)OC Amb24764709 [0,1,0,0,0,0|1,0,1]=3 587 B10R0.57 COC(=O)[C@@H](CCC(=O)N)N Amb10844892 [0,1,0,0,0,0|3,0,0]=4 588 B10R0.57 COC(=O)[C@@H](N)CCC(O)=O Amb22754032 [0,1,0,0,0,0|3,0,0]=4 589 B10R0.57 NC(=O)CCC(N)C(=O)NO Amb25385851 [0,1,0,0,0,0|3,0,0]=4 590 B10R0.57 NC(=O)CC[C@H](N)C(=O)NO Amb24764528 [0,1,0,0,0,0|3,0,0]=4 591 B10R0.57 NC(C(=O)O[Na])CCC(=O)O Amb16224798 [0,1,0,0,0,0|3,0,0]=4 592 B10R0.57 NC(CCC(O)=O)C(=O)O[Na] Amb22730975 [0,1,0,0,0,0|3,0,0]=4 593 B10R0.82 C#CC(N)CCC(N)C(O)=O Amb24762938 [0,1,0,0,0,0|2,0,1]=4 594 B10R0.82 CC(C#N)SCC(N)C(O)=O Amb19018858 [0,1,0,0,0,0|2,0,1]=4 595 B10R0.82 CC(C#N)SC[C@@H](N)C(O)=O Amb18180438 [0,1,0,0,0,0|2,0,1]=4 596 B10R0.82 CC(C#N)SC[C@H](N)C(O)=O Amb25380043 [0,1,0,0,0,0|2,0,1]=4 597 B10R0.82 CC(CO)=CCC(N)C(O)=O Amb25385007 [0,1,0,0,0,0|1,0,1]=3 598 B10R0.82 CC(CO)=CC[C@H](N)C(O)=O Amb25384231 [0,1,0,0,0,0|1,0,1]=3 599 B10R0.82 CCC(=O)NC[C@H](N)C(O)=O Amb25383897 [0,1,0,0,0,0|3,0,0]=4 600 B10R0.82 CCC(C)CCC(C)C(O)=O Amb22641847 [0,1,0,0,0,0|2,0,0]=3 601 B10R0.82 CCS(=O)CCC(N)C(O)=O Amb22730104 [0,1,0,0,0,0|1,0,1]=3 602 B10R0.82 CN=[N+]([O-])CCC(N)C(O)=O Amb25384605 [0,1,0,0,0,0|2,0,0]=3 603 B10R0.82 CN=[N+]([O-])CC[C@H](N)C(O)=O Amb25384249 [0,1,0,0,0,0|2,0,0]=3 604 B10R0.82 CNC(=O)CCC(N)C(O)=O Amb18645293 [0,1,0,0,0,0|2,0,0]=3 605 B10R0.82 CNC(=O)NCC(N)C(O)=O Amb25806000 [0,1,0,0,0,0|3,0,0]=4 606 B10R0.82 CNC(=O)NC[C@H](N)C(O)=O Amb25361972 [0,1,0,0,0,0|3,0,0]=4 607 B10R0.82 CNC(=O)OCC(N)C(O)=O Amb25385001 [0,1,0,0,0,0|3,0,0]=4 608 B10R0.82 CNC(=O)SCC(N)C(O)=O Amb25383453 [0,1,0,0,0,0|3,0,0]=4 609 B10R0.82 CNC(=O)SC[C@@H](C(=O)O)N Amb17617278 [0,1,0,0,0,0|3,0,0]=4 610 B10R0.82 CNC(=O)SC[C@@H](N)C(O)=O Amb19133092 [0,1,0,0,0,0|3,0,0]=4 611 B10R0.82 COC(=O)CC[C@@H](C(=O)O)[NH3+] Amb10574405 [0,1,0,0,0,0|2,0,1]=4 612 B10R0.82 COC(=O)CC[C@@H](C)C(O)=O Amb22801605 [0,1,0,0,0,0|3,0,0]=4 613 B10R0.82 COC(=O)CC[C@@H](N)C(N)=O Amb22801394 [0,1,0,0,0,0|3,0,0]=4 614 B10R0.82 COC(=O)CC[C@@H](N)C(O)=O Amb22746068 [0,1,0,0,0,0|2,0,0]=3 615 B10R0.82 COC(=O)CC[C@H](C(=O)O)N Amb16183875 [0,1,0,0,0,0|2,0,0]=3 616 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb22432474 [0,1,0,0,0,0|3,0,0]=4 617 B10R0.82 COC(=O)CC[C@H](N)C(O)=O Amb22336436 [0,1,0,0,0,0|2,0,0]=3 618 B10R0.82 COC(=O)NC[C@H](N)C(O)=O Amb25383797 [0,1,0,0,0,0|3,0,0]=4 619 B10R0.82 C[C@H](CC)SCC(N)C(O)=O Amb22802432 [0,1,0,0,0,0|2,0,0]=3 620 B10R0.82 C\C(\CO)=C/C[C@H](N)C(O)=O Amb24763010 [0,1,0,0,0,0|1,0,1]=3 621 B10R0.82 C\N=[N+](\[O-])/CC[C@H](N)C(O)=O Amb25379956 [0,1,0,0,0,0|2,0,0]=3 622 B10R0.82 NC(CCC(=O)CCl)C(O)=O Amb21929315 [0,1,0,0,0,0|2,0,0]=3 623 B10R0.82 NC(CCC(=O)NO)C(O)=O Amb22350145 [0,1,0,0,0,0|3,0,0]=4 624 B10R0.82 NC(CCP(=O)CO)C([O-])=O Amb22167951 [0,1,0,0,0,0|2,0,1]=4 625 B10R0.82 NC(C\C=C(\Cl)/CO)C(O)=O Amb25386044 [0,1,0,0,0,0|2,0,1]=4 626 B10R0.82 NCC(CCC(C(=O)O)N)F Amb10839781 [0,1,0,0,0,0|2,0,0]=3 627 B10R0.82 NNC(=O)CC[C@@H](N)C(O)=O Amb22800002 [0,1,0,0,0,0|3,0,0]=4 628 B10R0.82 NNC(=O)CC[C@H](N)C(O)=O Amb25379957 [0,1,0,0,0,0|3,0,0]=4 629 B10R0.82 N[C@@H](CCC(F)CN)C(O)=O Amb24087707 [0,1,0,0,0,0|2,0,0]=3 630 B10R0.82 N[C@@H](CC[C@@H](O)CN)C(O)=O Amb22369708 [0,1,0,0,0,0|2,0,0]=3 631 B10R0.82 N[C@@H](CC[C@@H](O)CN)C(O)=O Amb22747912 [0,1,0,0,0,0|2,0,0]=3 632 B10R0.82 N[C@@H](CC[C@@H](O)CN)C(O)=O Amb24121192 [0,1,0,0,0,0|2,0,0]=3 633 B10R0.82 N[C@@H](CC[C@H](O)CN)C(O)=O Amb24117040 [0,1,0,0,0,0|2,0,0]=3 634 B10R0.82 N[C@@H](CNC(=O)CCl)C(O)=O Amb25386345 [0,1,0,0,0,0|3,0,0]=4 635 B10R0.82 N[C@@H](CNC(=O)CI)C(O)=O Amb25383795 [0,1,0,0,0,0|3,0,0]=4 636 B10R0.84 CC(C)=CCC(C=C)C(O)=O Amb25384977 [0,1,0,0,0,0|2,0,1]=4 637 B10R0.84 CC(C)=CCC(CC)C(O)=O Amb18125991 [0,1,0,0,0,0|2,0,1]=4 638 B10R0.84 CC(C)=CCC(CO)C(O)=O Amb25380559 [0,1,0,0,0,0|2,0,1]=4 639 B10R0.84 CC(C)=NOC(CN)C(O)=O Amb24754581 [0,1,0,0,0,0|3,0,0]=4 640 B10R0.84 CC(C)CCC(C#N)C(N)=O Amb18125788 [0,1,0,0,0,0|2,0,1]=4 641 B10R0.84 CC(C)CCC(C#N)C(O)=O Amb25386199 [0,1,0,0,0,0|1,0,1]=3 642 B10R0.84 CNC(C(=O)O)CCC(=O)O Amb13884886 [0,1,0,0,0,0|3,0,0]=4 643 B10R0.84 CN[C@@H](C(=O)O)CCC(=O)O Amb10604040 [0,1,0,0,0,0|3,0,0]=4 644 B10R0.84 CN[C@@H](CCC(N)=O)C(O)=O Amb22270246 [0,1,0,0,0,0|3,0,0]=4 645 B10R0.84 CN[C@@H](CCC(O)=O)C(O)=O Amb24117978 [0,1,0,0,0,0|3,0,0]=4 646 B10R0.84 CN[C@H](C(=O)O)CCC(=O)O Amb13884885 [0,1,0,0,0,0|3,0,0]=4 647 B10R0.84 C\C=C(/CCC(C)C)\C(O)=O Amb25381500 [0,1,0,0,0,0|2,0,1]=4 648 B10R0.92 CC(=O)C(N)COC(C)(C)C Amb25384582 [0,1,0,0,0,0|3,0,0]=4 649 B10R0.92 CC(C(=O)O)CNC(C)(C)C Amb17334467 [0,1,0,0,0,0|3,0,0]=4 650 B10R0.92 CC(C)(C)CCC(=O)C(O)=O Amb24105501 [0,1,0,0,0,0|2,0,1]=4 651 B10R0.92 CC(C)(C)CCC(F)C(O)=O Amb25383952 [0,1,0,0,0,0|2,0,0]=3 652 B10R0.92 CC(C)(C)CCC(N)C(O)=O Amb18307415 [0,1,0,0,0,0|1,0,0]=2 653 B10R0.92 CC(C)(C)CC[C@@H](N)C(O)=O Amb25383852 [0,1,0,0,0,0|1,0,0]=2 654 B10R0.92 CC(C)(C)NCC(N)C(N)=O Amb25381537 [0,1,0,0,0,0|3,0,0]=4 655 B10R0.92 CC(C)(C)NCC(N)C(O)=O Amb25381535 [0,1,0,0,0,0|2,0,0]=3 656 B10R0.92 CC(C)(C)OCC(N)C(N)=O Amb18177696 [0,1,0,0,0,0|3,0,0]=4 657 B10R0.92 CC(C)(C)OCC(O)C(O)=O Amb25384599 [0,1,0,0,0,0|3,0,0]=4 658 B10R0.92 CC(C)(C)OC[C@@H](O)C(O)=O Amb24765485 [0,1,0,0,0,0|3,0,0]=4 659 B10R0.92 CC(C)(C)OC[C@H](N)C(N)=O Amb24764796 [0,1,0,0,0,0|3,0,0]=4 660 B10R0.92 CC(C)(C)SCC(Cl)C(O)=O Amb25381771 [0,1,0,0,0,0|3,0,0]=4 661 B10R0.92 CC(C)(C)SCC(N)C(N)=O Amb18790784 [0,1,0,0,0,0|3,0,0]=4 662 B10R0.92 CC(C)(C)SCC(N)C(O)=O Amb18790874 [0,1,0,0,0,0|2,0,0]=3 663 B10R0.92 CC(C)(C)SC[C@@H](N)C(O)=O Amb22745248 [0,1,0,0,0,0|2,0,0]=3 664 B10R0.92 CC(C)(N)CCC(N)C(O)=O Amb23555801 [0,1,0,0,0,0|1,0,0]=2 665 B10R0.92 CC(CCC(C)(C)C)C(C)=O Amb18791772 [0,1,0,0,0,0|3,0,0]=4 666 B10R0.92 CC(CCC(C)(C)C)C(N)=O Amb24756230 [0,1,0,0,0,0|3,0,0]=4 667 B10R0.92 CC(CCC(C)(C)C)C(O)=O Amb18307461 [0,1,0,0,0,0|2,0,0]=3 668 B10R0.92 CC(CCS(C)(=O)=O)C(O)=O Amb18305099 [0,1,0,0,0,0|2,0,1]=4 669 B10R0.92 CC(CSC(C)(C)C)C(O)=O Amb19036011 [0,1,0,0,0,0|3,0,0]=4 670 B10R0.92 CC(F)(F)CC[C@@H](N)C(O)=O Amb25383712 [0,1,0,0,0,0|2,0,0]=3 671 B10R0.92 CC(NCC(C)(C)C)C(O)=O Amb18307569 [0,1,0,0,0,0|3,0,0]=4 672 B10R0.92 CC(NCC(C)(C)O)C(O)=O Amb18303272 [0,1,0,0,0,0|3,0,0]=4 673 B10R0.92 CC(OCC(C)(C)N)C(O)=O Amb18630789 [0,1,0,0,0,0|3,0,0]=4 674 B10R0.92 CC(SCC(C)(C)O)C(O)=O Amb19005339 [0,1,0,0,0,0|3,0,0]=4 675 B10R0.92 CP(O)(=O)CCC(N)C(N)=O Amb24764769 [0,1,0,0,0,0|3,0,0]=4 676 B10R0.92 CP(O)(=O)CC[C@@H](N)C(O)=O Amb25384851 [0,1,0,0,0,0|2,0,0]=3 677 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(O)=O Amb19133023 [0,1,0,0,0,0|1,0,1]=3 678 B10R0.92 CS(=N)(O)CC[C@H](N)C(O)=O Amb25382127 [0,1,0,0,0,0|1,0,1]=3 679 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(O)=O Amb22745329 [0,1,0,0,0,0|1,0,1]=3 680 B10R0.92 CS(=O)(=O)CC[C@H](N)C(N)=O Amb24764706 [0,1,0,0,0,0|2,0,1]=4 681 B10R0.92 CS(=O)(=O)NC[C@H](N)C(O)=O Amb25384881 [0,1,0,0,0,0|2,0,1]=4 682 B10R0.92 CS(=O)(=O)SC[C@@H](N)C(O)=O Amb19130403 [0,1,0,0,0,0|2,0,1]=4 683 B10R0.92 CS(C)(Cl)CCC(N)C(O)=O Amb25384324 [0,1,0,0,0,0|0,0,1]=2 684 B10R0.92 CS(C)(Cl)CC[C@H](N)C(O)=O Amb25386379 [0,1,0,0,0,0|0,0,1]=2 685 B10R0.92 CS(C)(O)CCC(N)C(O)=O Amb25384929 [0,1,0,0,0,0|0,0,1]=2 686 B10R0.92 C[C@@H](NCC(C)(C)N)C(O)=O Amb25379731 [0,1,0,0,0,0|3,0,0]=4 687 B10R0.92 C[C@H](NCC(C)(C)N)C(O)=O Amb25379730 [0,1,0,0,0,0|3,0,0]=4 688 B10R0.92 C[S@@](=N)(=O)CC[C@@H](N)C(O)=O Amb19133024 [0,1,0,0,0,0|1,0,1]=3 689 B10R0.92 C[Si](C)(C)CC[C@@H](N)C(O)=O Amb25384952 [0,1,0,0,0,0|1,0,0]=2 690 B10R0.92 C[Si](C)(C)CC[C@H](N)C(O)=O Amb25384951 [0,1,0,0,0,0|1,0,0]=2 691 B10R0.92 C[Si](C)(C)OCC(N)C(O)=O Amb25385227 [0,1,0,0,0,0|2,0,0]=3 692 B10R0.92 NC(CCP([O-])(O)=O)C(O)=O Amb19929419 [0,1,0,0,0,0|3,0,0]=4 693 B10R0.92 N[C@@H](C(=O)N)COC(C)(C)C Amb10603227 [0,1,0,0,0,0|3,0,0]=4 694 B10R0.92 N[C@@H](CCC(F)(F)F)C(O)=O Amb19889289 [0,1,0,0,0,0|3,0,0]=4 695 B10R0.92 N[C@@H](CCP(O)(O)=S)C(O)=O Amb19929411 [0,1,0,0,0,0|3,0,0]=4 696 B10R0.92 N[C@@H](CCS(O)(=O)=O)C(O)=O Amb22230810 [0,1,0,0,0,0|2,0,1]=4 697 B10R0.92 N[C@H](C(=O)O)COC(C)(C)C Amb10844851 [0,1,0,0,0,0|2,0,0]=3 698 B10R0.92 N[C@H](CCC(F)(F)F)C(O)=O Amb19889288 [0,1,0,0,0,0|3,0,0]=4 699 B10R0.92 OC(=O)C(CCP(=O)(O)C)N Amb10072511 [0,1,0,0,0,0|2,0,0]=3 700 B10R0.92 OC(=O)C(CCS(=O)(=O)C)N Amb1905637 [0,1,0,0,0,0|1,0,1]=3 701 B10R0.92 OC(=O)[C@H](CC[S@@](=O)(=N)C)N Amb17616898 [0,1,0,0,0,0|1,0,1]=3 702 B10R0.92 OC(=O)[C@H](CC[S@](=O)(=N)C)N Amb17616899 [0,1,0,0,0,0|1,0,1]=3 703 B10R0.92 OC(=O)[C@H](CSS(=O)(=O)C)N Amb17607936 [0,1,0,0,0,0|2,0,1]=4 704 B10R0.92 [O-]C(=O)C(CCP(=O)(O)C)N Amb16233947 [0,1,0,0,0,0|2,0,1]=4 705 B10R0.93 CC(=O)C(N)CC(C)C(O)=O Amb24765255 [0,1,0,0,0,0|3,0,0]=4 706 B10R0.93 CC(=O)[C@@H](N)C[C@@H](C)C(O)=O Amb25384326 [0,1,0,0,0,0|3,0,0]=4 707 B10R0.93 CC(C)C(=O)CC(C)C(O)=O Amb18182335 [0,1,0,0,0,0|2,0,1]=4 708 B10R0.93 CC(C)C(=O)CC(N)C(O)=O Amb25385142 [0,1,0,0,0,0|1,0,1]=3 709 B10R0.93 CC(C)C(=O)C[C@@H](O)C(O)=O Amb25384936 [0,1,0,0,0,0|2,0,1]=4 710 B10R0.93 CC(C)C(=O)C[C@H](N)C(O)=O Amb25385141 [0,1,0,0,0,0|1,0,1]=3 711 B10R0.93 CC(C)C(C)CC(C)C(C)=O Amb24765133 [0,1,0,0,0,0|3,0,0]=4 712 B10R0.93 CC(C)C(C)CC(O)C(O)=O Amb25385155 [0,1,0,0,0,0|2,0,0]=3 713 B10R0.93 CC(C)C(C)NC(C)C(O)=O Amb18306128 [0,1,0,0,0,0|3,0,0]=4 714 B10R0.93 CC(C)C(F)C[C@H](N)C(O)=O Amb25383169 [0,1,0,0,0,0|1,0,0]=2 715 B10R0.93 CC(C)C(N)CC(O)C(O)=O Amb25383445 [0,1,0,0,0,0|2,0,0]=3 716 B10R0.93 CC(C)C(O)CC(=C)C(O)=O Amb25384966 [0,1,0,0,0,0|2,0,1]=4 717 B10R0.93 CC(C)C(O)CC(C)C(O)=O Amb18182511 [0,1,0,0,0,0|2,0,0]=3 718 B10R0.93 CC(C)N(C)CC(N)C(N)=O Amb18787897 [0,1,0,0,0,0|3,0,0]=4 719 B10R0.93 CC(C)N(C)CC(N)C(O)=O Amb18800376 [0,1,0,0,0,0|2,0,0]=3 720 B10R0.93 CC(C)S(=O)CC(C)C(O)=O Amb18305878 [0,1,0,0,0,0|3,0,0]=4 721 B10R0.93 CC(C)S(=O)CC(N)C(O)=O Amb25380464 [0,1,0,0,0,0|2,0,0]=3 722 B10R0.93 CC(C)S(=O)C[C@H](N)C(O)=O Amb25384897 [0,1,0,0,0,0|2,0,0]=3 723 B10R0.93 CC(C)[C@@H](C)C[C@H](N)C(O)=O Amb25384069 [0,1,0,0,0,0|1,0,0]=2 724 B10R0.93 CC(C)[C@H](C)C[C@H](N)C(O)=O Amb25384068 [0,1,0,0,0,0|1,0,0]=2 725 B10R0.93 CC(C)[C@H](F)C[C@@H](N)C(O)=O Amb25384964 [0,1,0,0,0,0|1,0,0]=2 726 B10R0.93 CC(C)[C@H](F)C[C@H](N)C(O)=O Amb25384963 [0,1,0,0,0,0|1,0,0]=2 727 B10R0.93 CC(CC(N)C(O)=O)C(Cl)Cl Amb24765257 [0,1,0,0,0,0|3,0,0]=4 728 B10R0.93 CC(CC(N)C(O)=O)C(O)=O Amb23440871 [0,1,0,0,0,0|3,0,0]=4 729 B10R0.93 CC(CC(N)C(O)=O)C(O)O Amb24764390 [0,1,0,0,0,0|3,0,0]=4 730 B10R0.93 CC(C[C@H](N)C(O)=O)C(Cl)Cl Amb25384498 [0,1,0,0,0,0|3,0,0]=4 731 B10R0.93 CC(C[C@H](N)C(O)=O)C(N)=O Amb25386389 [0,1,0,0,0,0|3,0,0]=4 732 B10R0.93 CC(C[C@H](N)C(O)=O)C(O)O Amb25384090 [0,1,0,0,0,0|3,0,0]=4 733 B10R0.93 CN(C)C(=O)CC(N)C(N)=O Amb25381619 [0,1,0,0,0,0|2,0,1]=4 734 B10R0.93 CN(C)C(=O)C[C@H](N)C(O)=O Amb25384949 [0,1,0,0,0,0|1,0,1]=3 735 B10R0.93 C[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb19133151 [0,1,0,0,0,0|3,0,0]=4 736 B10R0.93 C[C@@H](C[C@H](N)C(O)=O)C(Cl)Cl Amb25384389 [0,1,0,0,0,0|3,0,0]=4 737 B10R0.93 C[C@@H](O)[C@H](O)C[C@@H](N)C(O)=O Amb25382130 [0,1,0,0,0,0|2,0,0]=3 738 B10R0.93 C[C@H](C[C@H](N)C(O)=O)C(Cl)Cl Amb25385949 [0,1,0,0,0,0|3,0,0]=4 739 B10R0.93 C[C@H](O)[C@@H](O)C[C@H](N)C(O)=O Amb25382131 [0,1,0,0,0,0|2,0,0]=3 740 B10R0.93 C[C@H](O)[C@H](O)C[C@@H](N)C(O)=O Amb25382129 [0,1,0,0,0,0|2,0,0]=3 741 B10R0.93 F[C@H](C(=O)N)C[C@@H](C(=O)O)N Amb10839753 [0,1,0,0,0,0|3,0,0]=4 742 B10R0.93 F[C@H](C(=O)N)C[C@H](C(=O)O)N Amb10839752 [0,1,0,0,0,0|3,0,0]=4 743 B10R0.93 NC(=O)C(F)CC(N)C(O)=O Amb25386442 [0,1,0,0,0,0|3,0,0]=4 744 B10R0.93 NC(=O)C(F)C[C@H](N)C(O)=O Amb25383170 [0,1,0,0,0,0|3,0,0]=4 745 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(O)=O Amb25384972 [0,1,0,0,0,0|3,0,0]=4 746 B10R0.93 NC(CC(N)C(O)=O)C(O)=O Amb24117887 [0,1,0,0,0,0|3,0,0]=4 747 B10R0.93 NC(O)C(O)CC(N)C(O)=O Amb25386028 [0,1,0,0,0,0|3,0,0]=4 748 B10R0.93 N[C@@H](CC(F)C(O)=O)C(O)=O Amb22800491 [0,1,0,0,0,0|3,0,0]=4 749 B10R0.93 N[C@@H](C[C@@H](F)C(O)=O)C(O)=O Amb24055860 [0,1,0,0,0,0|3,0,0]=4 750 B10R0.93 N[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb22746048 [0,1,0,0,0,0|3,0,0]=4 751 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22388564 [0,1,0,0,0,0|3,0,0]=4 752 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22745417 [0,1,0,0,0,0|3,0,0]=4 753 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb22800665 [0,1,0,0,0,0|3,0,0]=4 754 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb24117514 [0,1,0,0,0,0|3,0,0]=4 755 B10R0.93 N[C@H](C[C@@H](N)C(O)=O)C(O)=O Amb22388558 [0,1,0,0,0,0|3,0,0]=4 756 B10R0.93 N[C@H](C[C@@H](O)C(O)=O)C(O)=O Amb25386295 [0,1,0,0,0,0|3,0,0]=4 757 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)F)N Amb10839750 [0,1,0,0,0,0|3,0,0]=4 758 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)N)C Amb10807462 [0,1,0,0,0,0|3,0,0]=4 759 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)F)N Amb10839751 [0,1,0,0,0,0|3,0,0]=4 760 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)N)C Amb17617454 [0,1,0,0,0,0|3,0,0]=4 761 B10R1.13 CC(=O)C1CCC(N)CN1 Amb24086446 [0,0,0,1,0,0|3,0,0]=4 762 B10R1.13 CC(=O)C1CCN(C)CC1 Amb22756855 [0,0,0,1,0,0|3,0,0]=4 763 B10R1.13 CC1CCC(=CC1)C(O)=O Amb18124589 [0,0,0,1,0,0|2,0,1]=4 764 B10R1.13 CC1CCC(C=C1)C(O)=O Amb18124590 [0,0,0,1,0,0|2,0,1]=4 765 B10R1.13 CC1CCC(CC1)C(C)=O Amb24518062 [0,0,0,1,0,0|3,0,0]=4 766 B10R1.13 CC1CCC(CN1)C(O)=O Amb18643999 [0,0,0,1,0,0|3,0,0]=4 767 B10R1.13 CC1CCC(NC1)C(O)=O Amb25324436 [0,0,0,1,0,0|1,0,0]=2 768 B10R1.13 CC=1CCC(CC1)C(O)=O Amb18124574 [0,0,0,1,0,0|2,0,1]=4 769 B10R1.13 CC=1CC[C@@H](CC1)C(O)=O Amb24746758 [0,0,0,1,0,0|2,0,1]=4 770 B10R1.13 CC=1CC[C@H](CC1)C(O)=O Amb24505311 [0,0,0,1,0,0|2,0,1]=4 771 B10R1.13 CC=1COC(CC1)C(O)=O Amb25836036 [0,0,0,1,0,0|2,0,1]=4 772 B10R1.13 CN1CCC(=CC1)C(=O)O Amb17593569 [0,0,0,1,0,0|2,0,1]=4 773 B10R1.13 CN1CCC(CC1)C(=O)Cl Amb22893501 [0,0,0,1,0,0|3,0,0]=4 774 B10R1.13 CN1CCC(CC1)C(=O)N Amb10067624 [0,0,0,1,0,0|3,0,0]=4 775 B10R1.13 CN1CCC(CC1)C(=O)O Amb2236137 [0,0,0,1,0,0|2,0,0]=3 776 B10R1.13 CN1CCC(CC1)C(=O)O Amb2237314 [0,0,0,1,0,0|2,0,0]=3 777 B10R1.13 CN1CCC(CC1)C(O)=O Amb22491433 [0,0,0,1,0,0|2,0,0]=3 778 B10R1.13 CN1CCC(CC1)C(O)=O Amb22491939 [0,0,0,1,0,0|2,0,0]=3 779 B10R1.13 CN1CCC(CC1)C([O-])=O Amb22749900 [0,0,0,1,0,0|2,0,1]=4 780 B10R1.13 CN1CCC(CN1)C(O)=O Amb25311512 [0,0,0,1,0,0|3,0,0]=4 781 B10R1.13 CN1CCN(CC1)C(O)=O Amb22498702 [0,0,0,1,0,0|3,0,0]=4 782 B10R1.13 C[C@@H]1CCC(=CC1)C(O)=O Amb24349868 [0,0,0,1,0,0|2,0,1]=4 783 B10R1.13 C[C@@H]1CC[C@@H](CC1)C(=O)O Amb10843977 [0,0,0,1,0,0|2,0,0]=3 784 B10R1.13 C[C@@H]1CC[C@@H](CC1)C(N)=O Amb24385858 [0,0,0,1,0,0|3,0,0]=4 785 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(O)=O Amb24620510 [0,0,0,1,0,0|3,0,0]=4 786 B10R1.13 C[C@@H]1CC[C@H](CC1)C(=O)Cl Amb24052918 [0,0,0,1,0,0|3,0,0]=4 787 B10R1.13 C[C@@H]1CC[C@H](CC1)C(C)=O Amb25093628 [0,0,0,1,0,0|3,0,0]=4 788 B10R1.13 C[C@@H]1CC[C@H](CN1)C(O)=O Amb24059653 [0,0,0,1,0,0|3,0,0]=4 789 B10R1.13 C[C@@H]1CC[C@H](NC1)C(C)O Amb25259205 [0,0,0,1,0,0|2,0,1]=4 790 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(O)=O Amb24694579 [0,0,0,1,0,0|2,0,0]=3 791 B10R1.13 C[C@H]1CC[C@H](CC1)C(C)=O Amb24505101 [0,0,0,1,0,0|3,0,0]=4 792 B10R1.13 C[C@H]1CC[C@H](CN1)C(O)=O Amb24580654 [0,0,0,1,0,0|3,0,0]=4 793 B10R1.13 C[C@H]1CC[C@H](NC1)C(C)O Amb24682778 [0,0,0,1,0,0|2,0,1]=4 794 B10R1.13 C[C@H]1CN[C@@H](CO1)C(O)=O Amb24699378 [0,0,0,1,0,0|2,0,0]=3 795 B10R1.13 NC1CCC(OC1)C(O)=O Amb23596938 [0,0,0,1,0,0|3,0,0]=4 796 B10R1.13 NC1CCC(SC1)C(O)=O Amb23596933 [0,0,0,1,0,0|3,0,0]=4 797 B10R1.13 N[C@@H]1CC[C@@H](CC1)C(=O)O Amb10070763 [0,0,0,1,0,0|3,0,0]=4 798 B10R1.13 N[C@H]1CC[C@@H](OC1)C(O)=O Amb24708815 [0,0,0,1,0,0|3,0,0]=4 799 B10R1.13 OC(=O)C1CC=C(F)CN1 Amb25175831 [0,0,0,1,0,0|2,0,1]=4 800 B10R1.13 OC(=O)C1CCC(=C)CC1 Amb15695314 [0,0,0,1,0,0|2,0,1]=4 801 B10R1.13 OC(=O)C1CCC(=O)CN1 Amb21960863 [0,0,0,1,0,0|2,0,0]=3 802 B10R1.13 OC(=O)C1CCC(=O)CO1 Amb23596936 [0,0,0,1,0,0|3,0,0]=4 803 B10R1.13 OC(=O)C1CCC(=O)CS1 Amb23596925 [0,0,0,1,0,0|3,0,0]=4 804 B10R1.13 OC(=O)C1CCC(=O)NN1 Amb23441127 [0,0,0,1,0,0|3,0,0]=4 805 B10R1.13 OC(=O)C1CCC(CC1)[*] Amb20246716 [0,0,0,1,0,0|3,0,0]=4 806 B10R1.13 OC(=O)C1CCC(Cl)CC1 Amb18126347 [0,0,0,1,0,0|3,0,0]=4 807 B10R1.13 OC(=O)C1CCC(Cl)CN1 Amb25200089 [0,0,0,1,0,0|2,0,0]=3 808 B10R1.13 OC(=O)C1CCC(F)CC1 Amb20670645 [0,0,0,1,0,0|3,0,0]=4 809 B10R1.13 OC(=O)C1CCS(=O)CC1 Amb25295426 [0,0,0,1,0,0|2,0,1]=4 810 B10R1.13 OC(=O)C1CNC(=O)CN1 Amb22235954 [0,0,0,1,0,0|3,0,0]=4 811 B10R1.13 OC(=O)C1CNC(=O)CN1 Amb22641428 [0,0,0,1,0,0|3,0,0]=4 812 B10R1.13 OC(=O)[C@@H]1CCC(=O)CN1 Amb24655763 [0,0,0,1,0,0|2,0,0]=3 813 B10R1.13 OC(=O)[C@@H]1CC[C@@H](Cl)CC1 Amb24482268 [0,0,0,1,0,0|3,0,0]=4 814 B10R1.13 OC(=O)[C@@H]1CC[C@@H](F)CN1 Amb24763804 [0,0,0,1,0,0|2,0,0]=3 815 B10R1.13 OC(=O)[C@@H]1CNC(=O)CN1 Amb22746776 [0,0,0,1,0,0|3,0,0]=4 816 B10R1.13 OC(=O)[C@@H]1CNC(=O)CN1 Amb22756547 [0,0,0,1,0,0|3,0,0]=4 817 B10R1.13 OC(=O)[C@H]1CC[C@@H](Cl)CC1 Amb25295435 [0,0,0,1,0,0|3,0,0]=4 818 B10R1.13 OC(=O)[C@H]1CC[C@@H](Cl)CN1 Amb24745771 [0,0,0,1,0,0|2,0,0]=3 819 B10R1.13 OC(=O)[C@H]1CC[C@@H](S)CC1 Amb25109333 [0,0,0,1,0,0|3,0,0]=4 820 B10R1.13 OC(=O)[C@H]1CNC(=O)CN1 Amb24423079 [0,0,0,1,0,0|3,0,0]=4 821 B10R1.13 OC1CCC(NC1)C(O)=O Amb22034512 [0,0,0,1,0,0|2,0,0]=3 822 B10R1.13 OC1CCC(OC1)C(O)=O Amb23596937 [0,0,0,1,0,0|3,0,0]=4 823 B10R1.13 OC1CCC(SC1)C(O)=O Amb23596932 [0,0,0,1,0,0|3,0,0]=4 824 B10R1.13 OC1CC[C@H](NC1)C(O)=O Amb24401087 [0,0,0,1,0,0|2,0,0]=3 825 B10R1.13 OC1CNC(CN1)C(O)=O Amb25332404 [0,0,0,1,0,0|3,0,0]=4 826 B10R1.13 O[C@@H]1CC[C@@H](NC1)C(O)=O Amb23440007 [0,0,0,1,0,0|2,0,0]=3 827 B10R1.13 O[C@@H]1CC[C@@H](NC1)C(O)=O Amb23440183 [0,0,0,1,0,0|2,0,0]=3 828 B10R1.13 O[C@@H]1CC[C@H](CC1)C(O)=O Amb22387641 [0,0,0,1,0,0|3,0,0]=4 829 B10R1.13 O[C@@H]1CC[C@H](NC1)C(O)=O Amb24120629 [0,0,0,1,0,0|2,0,0]=3 830 B10R1.13 O[C@H]1CC[C@@H](OC1)C(O)=O Amb24725149 [0,0,0,1,0,0|3,0,0]=4 831 B10R1.13 O[C@H]1CC[C@H](CC1)C(O)=O Amb22387642 [0,0,0,1,0,0|3,0,0]=4 832 B10R1.58 CC(=O)C1CC(C)C(=O)O1 Amb25146781 [0,0,0,1,0,0|3,0,0]=4 833 B10R1.58 CC(C)C1CC(=O)C(=O)O1 Amb25146630 [0,0,0,1,0,0|2,0,1]=4 834 B10R1.58 CC(C)C1CC(N)C(=O)O1 Amb25200018 [0,0,0,1,0,0|1,0,0]=2 835 B10R1.58 CC(C)C1CC(O)C(=O)N1 Amb24694249 [0,0,0,1,0,0|3,0,0]=4 836 B10R1.58 CC(C)C1OC(=O)C(Cl)S1 Amb25061406 [0,0,0,1,0,0|3,0,0]=4 837 B10R1.58 CC(C)[C@@H]1C[C@H](C)C(=O)C1 Amb25272360 [0,0,0,1,0,0|3,0,0]=4 838 B10R1.58 CC(C)[C@H]1C[C@@H](O)C(=O)N1 Amb25265265 [0,0,0,1,0,0|3,0,0]=4 839 B10R1.58 CC(O)C1CC(Br)C(=O)O1 Amb24370140 [0,0,0,1,0,0|3,0,0]=4 840 B10R1.58 CC(O)C1CC(O)C(=O)O1 Amb25761049 [0,0,0,1,0,0|3,0,0]=4 841 B10R1.58 C[C@@H](O)[C@@H]1C[C@H](O)C(=O)O1 Amb24515478 [0,0,0,1,0,0|3,0,0]=4 842 B10R1.58 C[C@H](O)[C@H]1CC(O)C(=O)O1 Amb24592500 [0,0,0,1,0,0|3,0,0]=4 843 B10R1.58 C[C@H](O)[C@H]1C[C@@H](O)C(=O)O1 Amb25256354 [0,0,0,1,0,0|3,0,0]=4 844 B10R1.58 NC1CC(OC1=O)C(O)=O Amb25147458 [0,0,0,1,0,0|3,0,0]=4 845 B10R1.80 CC1C(CC(C)O)OC1=O Amb24645891 [0,0,0,1,0,0|3,0,0]=4 846 B10R1.81 CC1CN(C1)C(C)C(O)=O Amb25064112 [0,0,0,1,0,0|3,0,0]=4 847 B10R1.120 CC1CCC(N)C(C)(O)C1 Amb24399833 [0,0,0,1,0,0|2,0,1]=4 848 B10R1.147 CC1(C)CC(=O)C(Br)CC1 Amb25835546 [0,0,0,1,0,0|3,0,0]=4 849 B10R1.147 CC1(C)CC(O)C(N)CC1 Amb18202435 [0,0,0,1,0,0|2,0,1]=4 850 B10R1.147 CC1(C)CC[C@H](O)C(=O)O1 Amb25694370 [0,0,0,1,0,0|2,0,0]=3 851 B10R1.147 CC1(C)C[C@@H](O)[C@@H](N)CC1 Amb24514811 [0,0,0,1,0,0|2,0,1]=4 852 B10R1.147 CC1NCC(C)(C)OC1=O Amb24460708 [0,0,0,1,0,0|3,0,0]=4 853 B10R1.147 C[C@@H]1CCC(C)(C)CC1=O Amb25187272 [0,0,0,1,0,0|3,0,0]=4 854 B10R1.190 C=C1CC1CC(N)C(O)=O Amb22730075 [0,0,0,1,0,0|1,0,1]=3 855 B10R1.190 C=C1CC1CC(N)C(O)=O Amb24117524 [0,0,0,1,0,0|1,0,1]=3 856 B10R1.190 C=C1CC1C[C@@H](N)C(O)=O Amb24640688 [0,0,0,1,0,0|1,0,1]=3 857 B10R1.190 C=C1CC1C[C@H](N)C(O)=O Amb25235396 [0,0,0,1,0,0|1,0,1]=3 858 B10R1.190 C=C1C[C@H]1C[C@H](N)C(O)=O Amb24597968 [0,0,0,1,0,0|1,0,1]=3 859 B10R1.190 CC(NC1CC1C)C(O)=O Amb25040323 [0,0,0,1,0,0|3,0,0]=4 860 B10R1.190 CC1CC1CC(N)C(O)=O Amb25147396 [0,0,0,1,0,0|1,0,0]=2 861 B10R1.190 CC1CC1C[C@H](N)C(O)=O Amb25305763 [0,0,0,1,0,0|1,0,0]=2 862 B10R1.190 C[C@@H]1S[C@@H]1C[C@H](N)C(O)=O Amb25202932 [0,0,0,1,0,0|2,0,0]=3 863 B10R1.190 NC(CC1CC1=O)C(O)=O Amb24477414 [0,0,0,1,0,0|2,0,0]=3 864 B10R1.190 NC(CC1CC1N)C(O)=O Amb23571908 [0,0,0,1,0,0|2,0,0]=3 865 B10R1.190 N[C@@H](C[C@@H]1C[C@H]1N)C(O)=O Amb25302205 [0,0,0,1,0,0|2,0,0]=3 866 B10R1.190 N[C@@H](C[C@H]1C[C@@H]1N)C(O)=O Amb25245233 [0,0,0,1,0,0|2,0,0]=3 867 B10R1.190 N[C@H](C(=O)O)C[C@H]1CC1=C Amb17615983 [0,0,0,1,0,0|1,0,1]=3 868 B10R1.205 CC(=C)C(N)CCC1CC1 Amb25299618 [0,0,0,1,0,0|3,0,0]=4 869 B10R1.205 C[C@@H](NCC1CC1)C(O)=O Amb25118332 [0,0,0,1,0,0|3,0,0]=4 870 B10R1.205 C[C@@H](OCC1CC1)C(O)=O Amb25282110 [0,0,0,1,0,0|3,0,0]=4 871 B10R1.205 C[C@H](NCC1CC1)C(O)=O Amb24474543 [0,0,0,1,0,0|3,0,0]=4 872 B10R1.205 C[C@H](OCC1CC1)C(O)=O Amb24384555 [0,0,0,1,0,0|3,0,0]=4 873 B10R1.205 NC(=O)C(O)CCC1CC1 Amb24626755 [0,0,0,1,0,0|3,0,0]=4 874 B10R1.205 NC(CCC1CC1)C(N)=O Amb25284806 [0,0,0,1,0,0|2,0,0]=3 875 B10R1.205 NC(CCC1CC1)C(O)=O Amb18831582 [0,0,0,1,0,0|1,0,0]=2 876 B10R1.205 NC(CNC1CC1)C(N)=O Amb25214047 [0,0,0,1,0,0|3,0,0]=4 877 B10R1.205 N[C@@H](CCC1CC1)C(O)=O Amb25236249 [0,0,0,1,0,0|1,0,0]=2 878 B10R1.205 OC(CCC1CC1)C(O)=O Amb25187335 [0,0,0,1,0,0|2,0,0]=3 879 B10R1.332 C[C@@H]1CCC(=O)[C@@H](C)CC1 Amb24572536 [0,0,0,1,0,0|3,0,0]=4 880 B10R1.332 C[C@@H]1CCC(=O)[C@H](C)CC1 Amb25335121 [0,0,0,1,0,0|3,0,0]=4 881 B10R1.332 C[C@@H]1CCC(Cl)C(=O)CC1 Amb24415806 [0,0,0,1,0,0|3,0,0]=4 882 B10R1.332 N[C@@H]1CC[C@H](O)CNC1=O Amb25204714 [0,0,0,1,0,0|3,0,0]=4 883 B10R1.349 CC(=O)C1CC(C1)C(O)=O Amb25113879 [0,0,0,1,0,0|3,0,0]=4 884 B10R1.349 CC(C)=C1CC(C1)C(O)=O Amb25770982 [0,0,0,1,0,0|2,0,1]=4 885 B10R1.349 CC(C)C1CC(C1)C(C)=O Amb24625812 [0,0,0,1,0,0|3,0,0]=4 886 B10R1.349 CC(C)C1CC(C1)C(O)=O Amb22497608 [0,0,0,1,0,0|2,0,0]=3 887 B10R1.349 CC(C)N1CC(C1)C(O)=O Amb22032549 [0,0,0,1,0,0|3,0,0]=4 888 B10R1.349 CC(C)[C@@H]1C[C@@H](C1)C(O)=O Amb22748923 [0,0,0,1,0,0|2,0,0]=3 889 B10R1.349 CC(C)[C@@H]1C[C@H](C1)C(O)=O Amb24409814 [0,0,0,1,0,0|2,0,0]=3 890 B10R1.349 CN(C)[C@H]1C[C@H](C1)C(O)=O Amb25338254 [0,0,0,1,0,0|2,0,0]=3 891 B10R1.359 CC(=O)C1CC(C)(C)CC1 Amb25136434 [0,0,0,1,0,0|3,0,0]=4 892 B10R1.359 CC(=O)C1CCC(C)(C)O1 Amb25059577 [0,0,0,1,0,0|3,0,0]=4 893 B10R1.359 CC(=O)[C@@H]1CCC(C)(C)O1 Amb25232113 [0,0,0,1,0,0|3,0,0]=4 894 B10R1.359 CC1(C)CC(CC1)C(N)=O Amb24449433 [0,0,0,1,0,0|3,0,0]=4 895 B10R1.359 CC1(C)CC(CC1)C(O)=O Amb18643933 [0,0,0,1,0,0|2,0,0]=3 896 B10R1.359 CC1(C)CC(CN1)C(O)=O Amb23589283 [0,0,0,1,0,0|3,0,0]=4 897 B10R1.359 CC1(C)CC(CO1)C(O)=O Amb24312661 [0,0,0,1,0,0|3,0,0]=4 898 B10R1.359 CC1(C)CCC(=C1)C(O)=O Amb24480400 [0,0,0,1,0,0|2,0,1]=4 899 B10R1.359 CC1(C)CCC(N1)C(O)=O Amb22755806 [0,0,0,1,0,0|1,0,0]=2 900 B10R1.359 CC1(C)CCC(O1)C(N)=O Amb24588158 [0,0,0,1,0,0|3,0,0]=4 901 B10R1.359 CC1(C)CCC(O1)C(O)=O Amb23455423 [0,0,0,1,0,0|2,0,0]=3 902 B10R1.359 CC1(C)CNC(C1)C(O)=O Amb22756172 [0,0,0,1,0,0|3,0,0]=4 903 B10R1.359 CC1(C)CN[C@@H](C1)C(O)=O Amb20671421 [0,0,0,1,0,0|3,0,0]=4 904 B10R1.359 CC1(C)CN[C@@H](C1)C(O)=O Amb22751658 [0,0,0,1,0,0|3,0,0]=4 905 B10R1.359 CC1(C)CN[C@H](C1)C(O)=O Amb24620405 [0,0,0,1,0,0|3,0,0]=4 906 B10R1.359 CC1(C)CSC(N1)C(O)=O Amb25258404 [0,0,0,1,0,0|2,0,0]=3 907 B10R1.359 CC1(C)NC(CO1)C(N)=O Amb24603093 [0,0,0,1,0,0|3,0,0]=4 908 B10R1.359 CC1(C)NC(CS1)P(O)=O Amb25730051 [0,0,0,1,0,0|3,0,0]=4 909 B10R1.359 CC1(C)NCC(N1)C(O)=O Amb25852540 [0,0,0,1,0,0|2,0,0]=3 910 B10R1.359 CC1(C)NC[C@H](N1)C(O)=O Amb25047969 [0,0,0,1,0,0|2,0,0]=3 911 B10R1.359 CC1(C)OC[C@@H](O1)C(O)=O Amb22745866 [0,0,0,1,0,0|3,0,0]=4 912 B10R1.359 CC1(C)OC[C@H](O1)C(O)=O Amb24411495 [0,0,0,1,0,0|3,0,0]=4 913 B10R1.359 CC1(C)SCC(S1)C(O)=O Amb25708424 [0,0,0,1,0,0|3,0,0]=4 914 B10R1.359 CC1(F)CC(CC1)C(O)=O Amb25740509 [0,0,0,1,0,0|3,0,0]=4 915 B10R1.359 CC1(O)CC(CC1)C(O)=O Amb23454111 [0,0,0,1,0,0|3,0,0]=4 916 B10R1.359 CC1(O)CCC(N1)C(O)=O Amb25840357 [0,0,0,1,0,0|2,0,0]=3 917 B10R1.359 CP1(=O)CC[C@H](N1)C(O)=O Amb24651009 [0,0,0,1,0,0|2,0,0]=3 918 B10R1.359 C[N+]1(C)CC(CC1)C(O)=O Amb24533109 [0,0,0,1,0,0|2,0,0]=3 919 B10R1.359 C[Si]1(C)CN[C@@H](C1)C(O)=O Amb25679908 [0,0,0,1,0,0|3,0,0]=4 920 B10R1.359 OC(=O)C1CCC(N1)(C)C Amb17593611 [0,0,0,1,0,0|1,0,0]=2 921 B10R1.359 OC(=O)C1CCS(=O)(=O)N1 Amb19888363 [0,0,0,1,0,0|2,0,1]=4 922 B10R1.359 OC(=O)C1COC(O1)(C)C Amb10603493 [0,0,0,1,0,0|3,0,0]=4 923 B10R1.359 OC(=O)C1CSC(N1)(C)C Amb1155998 [0,0,0,1,0,0|2,0,0]=3 924 B10R1.359 OC(=O)C1CSC(N1)(C)C Amb2371339 [0,0,0,1,0,0|2,0,0]=3 925 B10R1.359 OC(=O)[C@H]1CSC(N1)(C)C Amb2404830 [0,0,0,1,0,0|2,0,0]=3 926 B10R1.360 CC(C)C1CC1(F)C(O)=O Amb24356680 [0,0,0,1,0,0|2,0,0]=3 927 B10R1.360 CC(C)C1CC1(N)C(O)=O Amb24477051 [0,0,0,1,0,0|1,0,0]=2 928 B10R1.360 CC(C)C1CC1(O)C(O)=O Amb24480445 [0,0,0,1,0,0|2,0,0]=3 929 B10R1.360 CC(C)C1OC1(Cl)C(O)=O Amb24391707 [0,0,0,1,0,0|3,0,0]=4 930 B10R1.360 CC(C)[C@@H]1C[C@@]1(N)C(O)=O Amb23452874 [0,0,0,1,0,0|1,0,0]=2 931 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(O)=O Amb23452873 [0,0,0,1,0,0|1,0,0]=2 932 B10R1.360 CC(O)C1CC1(N)C(O)=O Amb24477052 [0,0,0,1,0,0|2,0,0]=3 933 B10R1.360 C[C@H](O)[C@@H]1C[C@]1(N)C(O)=O Amb24561781 [0,0,0,1,0,0|2,0,0]=3 934 B10R1.360 NC1(CC1C(O)=O)C(O)=O Amb25124900 [0,0,0,1,0,0|3,0,0]=4 935 B10R1.360 N[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb23452842 [0,0,0,1,0,0|3,0,0]=4 936 B10R1.360 N[C@@]1(C[C@H]1C(O)=O)C(O)=O Amb23452828 [0,0,0,1,0,0|3,0,0]=4 937 B10R1.360 N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24515142 [0,0,0,1,0,0|3,0,0]=4 938 B10R1.365 CC1(C)CCC1(N)C(N)=O Amb24645016 [0,0,0,1,0,0|2,0,0]=3 939 B10R1.365 CC1(C)CCC1(O)C(N)=O Amb25794845 [0,0,0,1,0,0|3,0,0]=4 940 B10R1.365 CC1(C)CCC1(O)C(O)=O Amb24544085 [0,0,0,1,0,0|2,0,0]=3 941 B10R1.368 CC(=C)C[C@H]1C[C@@H]1C(O)=O Amb25378774 [0,0,0,1,0,0|2,0,1]=4 942 B10R1.368 CC(C)=C[C@@H]1C[C@@H]1C(O)=O Amb25259811 [0,0,0,1,0,0|2,0,1]=4 943 B10R1.368 CC(C)CC1CC1C(C)=O Amb24456697 [0,0,0,1,0,0|3,0,0]=4 944 B10R1.368 CC(C)CC1CC1C(O)=O Amb18297987 [0,0,0,1,0,0|2,0,0]=3 945 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(N)=O Amb25360281 [0,0,0,1,0,0|3,0,0]=4 946 B10R1.470 CC1(CC(=O)CC1)C(O)=O Amb23454199 [0,0,0,1,0,0|3,0,0]=4 947 B10R1.470 CC1(CC(N)CC1)C(O)=O Amb23454122 [0,0,0,1,0,0|3,0,0]=4 948 B10R1.470 CC1(CC(O)CC1)C(O)=O Amb23454235 [0,0,0,1,0,0|3,0,0]=4 949 B10R1.470 CC1(CCC(=C)C1)C(O)=O Amb25789474 [0,0,0,1,0,0|2,0,1]=4 950 B10R1.470 CC1(CCC(O1)C)C(=O)O Amb17593620 [0,0,0,1,0,0|3,0,0]=4 951 B10R1.470 CC1CC(C)(CC1)C(N)=O Amb23454043 [0,0,0,1,0,0|3,0,0]=4 952 B10R1.470 CC1CC(N)(CC1)C(N)=O Amb24334951 [0,0,0,1,0,0|2,0,0]=3 953 B10R1.470 CC1CC(N)(CN1)C(O)=O Amb25291117 [0,0,0,1,0,0|2,0,0]=3 954 B10R1.470 CC1CC(N)(CS1)C(O)=O Amb24436009 [0,0,0,1,0,0|2,0,0]=3 955 B10R1.470 CC=1CCC(C)(C1)C(O)=O Amb18643549 [0,0,0,1,0,0|2,0,1]=4 956 B10R1.470 CC=1CCC(C)(N1)C(O)=O Amb24513863 [0,0,0,1,0,0|3,0,0]=4 957 B10R1.470 CC=1C[C@](O)(CC1)C(O)=O Amb24578805 [0,0,0,1,0,0|2,0,1]=4 958 B10R1.470 CN1CC(C)(CC1)C(N)=O Amb25134588 [0,0,0,1,0,0|3,0,0]=4 959 B10R1.470 CN1CC(N)(CC1)C(N)=O Amb18280859 [0,0,0,1,0,0|2,0,0]=3 960 B10R1.470 CN1CC(N)(CC1)C(O)=O Amb18280237 [0,0,0,1,0,0|1,0,0]=2 961 B10R1.470 CN1CC(O)(CC1)C(O)=O Amb18279342 [0,0,0,1,0,0|2,0,0]=3 962 B10R1.470 C[C@@H]1CC(O)(CC1)C(O)=O Amb24480707 [0,0,0,1,0,0|2,0,0]=3 963 B10R1.470 C[C@@H]1C[C@@](N)(CS1)C(O)=O Amb24612036 [0,0,0,1,0,0|2,0,0]=3 964 B10R1.470 C[C@H]1C[C@@](N)(CC1)C(O)=O Amb24373352 [0,0,0,1,0,0|1,0,0]=2 965 B10R1.470 C[C@H]1C[C@](N)(CC1)C(O)=O Amb24515052 [0,0,0,1,0,0|1,0,0]=2 966 B10R1.470 C[C@]1(CC(=O)CC1)C(O)=O Amb25693811 [0,0,0,1,0,0|3,0,0]=4 967 B10R1.470 NC1CC(F)(CC1)C(O)=O Amb24352012 [0,0,0,1,0,0|3,0,0]=4 968 B10R1.470 NC1CC(O)(CC1)C(O)=O Amb18124716 [0,0,0,1,0,0|3,0,0]=4 969 B10R1.470 OC1CC(O)(CC1)C(O)=O Amb25213061 [0,0,0,1,0,0|3,0,0]=4 970 B10R1.470 O[C@@H]1CC[C@@](C1)(N)C(=O)O Amb10066916 [0,0,0,1,0,0|2,0,0]=3 971 B10R1.470 O[C@H]1CC[C@](C1)(N)C(=O)O Amb10066913 [0,0,0,1,0,0|2,0,0]=3 972 B8R0.23 BrC(C(=O)O)CC(C)C Amb16233356 [0,0,0,0,1,0|2,0,0]=3 973 B8R0.23 C=C(Br)CC(N)C(O)=O Amb24557771 [0,0,0,0,1,0|2,0,1]=4 974 B8R0.23 C=C(Br)C[C@@H](N)C(O)=O Amb22746251 [0,0,0,0,1,0|2,0,1]=4 975 B8R0.23 C=C(Cl)CC(N)C(O)=O Amb24411473 [0,0,0,0,1,0|2,0,1]=4 976 B8R0.23 C=C(F)CC(N)C(O)=O Amb24580886 [0,0,0,0,1,0|2,0,1]=4 977 B8R0.23 C=C(I)CC(N)C(O)=O Amb25842052 [0,0,0,0,1,0|2,0,1]=4 978 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [0,0,0,0,1,0|2,0,1]=4 979 B8R0.23 CC(=C)CC(O)C(O)=O Amb24534477 [0,0,0,0,1,0|2,0,1]=4 980 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [0,0,0,0,1,0|2,0,1]=4 981 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [0,0,0,0,1,0|2,0,1]=4 982 B8R0.23 CC(=C)C[C@@H](N)C(O)=O Amb22801689 [0,0,0,0,1,0|1,0,1]=3 983 B8R0.23 CC(=C)C[C@H](N)C(O)=O Amb25757900 [0,0,0,0,1,0|1,0,1]=3 984 B8R0.23 CC(=O)C(O)CN(C)C Amb24571624 [0,0,0,0,1,0|3,0,0]=4 985 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [0,0,0,0,1,0|3,0,0]=4 986 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [0,0,0,0,1,0|2,0,0]=3 987 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [0,0,0,0,1,0|2,0,0]=3 988 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [0,0,0,0,1,0|3,0,0]=4 989 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [0,0,0,0,1,0|3,0,0]=4 990 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [0,0,0,0,1,0|2,0,0]=3 991 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [0,0,0,0,1,0|3,0,0]=4 992 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [0,0,0,0,1,0|3,0,0]=4 993 B8R0.23 CC(C(=O)N)CN(C)C Amb17231865 [0,0,0,0,1,0|3,0,0]=4 994 B8R0.23 CC(C(=O)O)NC(C)C Amb10199874 [0,0,0,0,1,0|3,0,0]=4 995 B8R0.23 CC(C(=O)O)NC(C)C Amb1110769 [0,0,0,0,1,0|3,0,0]=4 996 B8R0.23 CC(C(=O)O)OC(C)C Amb10607866 [0,0,0,0,1,0|3,0,0]=4 997 B8R0.23 CC(C)=C[C@@H](C)C(O)=O Amb25794277 [0,0,0,0,1,0|2,0,1]=4 998 B8R0.23 CC(C)=C[C@H](N)C(O)=O Amb24629144 [0,0,0,0,1,0|1,0,1]=3 999 B8R0.23 CC(C)CC(=C)C(O)=O Amb18642603 [0,0,0,0,1,0|2,0,1]=4 1000 B8R0.23 CC(C)CC(Br)C(N)=O Amb24423796 [0,0,0,0,1,0|3,0,0]=4 1001 B8R0.23 CC(C)CC(C)C(C)=O Amb24640121 [0,0,0,0,1,0|3,0,0]=4 1002 B8R0.23 CC(C)CC(C)C(N)=O Amb25733229 [0,0,0,0,1,0|3,0,0]=4 1003 B8R0.23 CC(C)CC(C)C(O)=O Amb18975244 [0,0,0,0,1,0|2,0,0]=3 1004 B8R0.23 CC(C)CC(Cl)C(N)=O Amb24534175 [0,0,0,0,1,0|3,0,0]=4 1005 B8R0.23 CC(C)CC(F)C(O)=O Amb24565634 [0,0,0,0,1,0|2,0,0]=3 1006 B8R0.23 CC(C)CC(N)B(O)O Amb25125820 [0,0,0,0,1,0|2,0,1]=4 1007 B8R0.23 CC(C)CC(N)C(C)=C Amb25764676 [0,0,0,0,1,0|3,0,0]=4 1008 B8R0.23 CC(C)CC(N)C(C)=O Amb18203220 [0,0,0,0,1,0|2,0,0]=3 1009 B8R0.23 CC(C)CC(N)C(C)=O Amb22899479 [0,0,0,0,1,0|2,0,0]=3 1010 B8R0.23 CC(C)CC(N)C(C)O Amb18642850 [0,0,0,0,1,0|2,0,1]=4 1011 B8R0.23 CC(C)CC(N)C(O)=O Amb22001061 [0,0,0,0,1,0|1,0,0]=2 1012 B8R0.23 CC(C)CC(N)[13C](O)=O Amb22363198 [0,0,0,0,1,0|1,0,0]=2 1013 B8R0.23 CC(C)CC(S)C(O)=O Amb18296292 [0,0,0,0,1,0|2,0,0]=3 1014 B8R0.23 CC(C)CC([15NH2])C(O)=O Amb22351200 [0,0,0,0,1,0|1,0,0]=2 1015 B8R0.23 CC(C)C[13CH](N)C(O)=O Amb22351309 [0,0,0,0,1,0|1,0,0]=2 1016 B8R0.23 CC(C)C[13CH](N)[13C](O)=O Amb22367336 [0,0,0,0,1,0|1,0,0]=2 1017 B8R0.23 CC(C)C[C@@H](Br)C(=O)Cl Amb25290167 [0,0,0,0,1,0|3,0,0]=4 1018 B8R0.23 CC(C)C[C@@H](Br)C(N)=O Amb25310991 [0,0,0,0,1,0|3,0,0]=4 1019 B8R0.23 CC(C)C[C@@H](Br)C(O)=O Amb24648832 [0,0,0,0,1,0|2,0,0]=3 1020 B8R0.23 CC(C)C[C@@H](Cl)C(O)=O Amb22800398 [0,0,0,0,1,0|2,0,0]=3 1021 B8R0.23 CC(C)C[C@@H](F)C(O)=O Amb24616998 [0,0,0,0,1,0|2,0,0]=3 1022 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb22745197 [0,0,0,0,1,0|2,0,0]=3 1023 B8R0.23 CC(C)C[C@@H]([15NH2])C(O)=O Amb22801141 [0,0,0,0,1,0|1,0,0]=2 1024 B8R0.23 CC(C)C[C@H](Br)C(O)=O Amb22226489 [0,0,0,0,1,0|2,0,0]=3 1025 B8R0.23 CC(C)C[C@H](Cl)C(N)=O Amb25145996 [0,0,0,0,1,0|3,0,0]=4 1026 B8R0.23 CC(C)C[C@H](Cl)C(O)=O Amb22388637 [0,0,0,0,1,0|2,0,0]=3 1027 B8R0.23 CC(C)C[C@H](N)B(O)O Amb24578467 [0,0,0,0,1,0|2,0,1]=4 1028 B8R0.23 CC(C)C[C@H](N)C(=O)Cl Amb25842766 [0,0,0,0,1,0|2,0,0]=3 1029 B8R0.23 CC(C)C[C@H](N)C(O)=O Amb22351113 [0,0,0,0,1,0|1,0,0]=2 1030 B8R0.23 CC(C)C[C@H](N)C(O)O Amb24353011 [0,0,0,0,1,0|1,0,2]=4 1031 B8R0.23 CC(C)C[C@H](N)[C@@H](C)O Amb25851073 [0,0,0,0,1,0|2,0,1]=4 1032 B8R0.23 CC(C)C[C@H](O)C(N)=O Amb24548495 [0,0,0,0,1,0|3,0,0]=4 1033 B8R0.23 CC(C)C[C@H](S)C(O)=O Amb24457027 [0,0,0,0,1,0|2,0,0]=3 1034 B8R0.23 CC(C)SC(F)C(O)=O Amb24671129 [0,0,0,0,1,0|3,0,0]=4 1035 B8R0.23 CC(C)S[C@@H](C)C(O)=O Amb25108429 [0,0,0,0,1,0|3,0,0]=4 1036 B8R0.23 CC(CC(C)N)C(O)=O Amb20620336 [0,0,0,0,1,0|3,0,0]=4 1037 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [0,0,0,0,1,0|3,0,0]=4 1038 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [0,0,0,0,1,0|2,0,1]=4 1039 B8R0.23 CC(F)CC(N)C(O)=O Amb25803619 [0,0,0,0,1,0|2,0,0]=3 1040 B8R0.23 CC(NN(C)C)C(O)=O Amb24523085 [0,0,0,0,1,0|3,0,0]=4 1041 B8R0.23 CC(O)C(N)CN(C)C Amb18203169 [0,0,0,0,1,0|2,0,1]=4 1042 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [0,0,0,0,1,0|3,0,0]=4 1043 B8R0.23 CC(O)CC(N)C(O)=O Amb18642918 [0,0,0,0,1,0|2,0,0]=3 1044 B8R0.23 CC(S)CC(O)C(O)=O Amb25032270 [0,0,0,0,1,0|3,0,0]=4 1045 B8R0.23 CN(C)CC(F)C(O)=O Amb25178248 [0,0,0,0,1,0|2,0,0]=3 1046 B8R0.23 CN(C)CC(N)C(N)=O Amb18984335 [0,0,0,0,1,0|2,0,0]=3 1047 B8R0.23 CN(C)CC(N)C(O)=O Amb22352274 [0,0,0,0,1,0|1,0,0]=2 1048 B8R0.23 CN(C)CC(N)C(O)=O Amb23558085 [0,0,0,0,1,0|1,0,0]=2 1049 B8R0.23 CN(C)CC(O)C(N)=O Amb24333804 [0,0,0,0,1,0|3,0,0]=4 1050 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb19889770 [0,0,0,0,1,0|1,0,0]=2 1051 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb22800468 [0,0,0,0,1,0|1,0,0]=2 1052 B8R0.23 CN(C)C[C@H](N)C(O)=O Amb24078627 [0,0,0,0,1,0|1,0,0]=2 1053 B8R0.23 CN(C)C[C@H](O)C(O)=O Amb24372674 [0,0,0,0,1,0|2,0,0]=3 1054 B8R0.23 CS(=N)CC(N)C(O)=O Amb24374643 [0,0,0,0,1,0|1,0,1]=3 1055 B8R0.23 CS(=O)CC(N)C(O)=O Amb18125279 [0,0,0,0,1,0|1,0,1]=3 1056 B8R0.23 CS(=O)CC(O)C(O)=O Amb24692848 [0,0,0,0,1,0|2,0,1]=4 1057 B8R0.23 CS(=O)C[C@@H](C(=O)O)N Amb16232229 [0,0,0,0,1,0|1,0,1]=3 1058 B8R0.23 CS(=O)C[C@@H](N)C(O)=O Amb22745418 [0,0,0,0,1,0|1,0,1]=3 1059 B8R0.23 C[C@@H](C(=O)O)CC(C)C Amb10844070 [0,0,0,0,1,0|2,0,0]=3 1060 B8R0.23 C[C@@H](O)C[C@H](N)C(O)=O Amb25162814 [0,0,0,0,1,0|2,0,0]=3 1061 B8R0.23 C[C@H](C(=O)O)CC(C)C Amb10844071 [0,0,0,0,1,0|2,0,0]=3 1062 B8R0.23 C[C@H](C(=O)O)CN(C)C Amb10844031 [0,0,0,0,1,0|2,0,0]=3 1063 B8R0.23 C[C@H](Cl)C[C@H](N)C(O)=O Amb25849347 [0,0,0,0,1,0|2,0,0]=3 1064 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [0,0,0,0,1,0|3,0,0]=4 1065 B8R0.23 C[C@H](O)C[C@H](N)C(O)=O Amb24461394 [0,0,0,0,1,0|2,0,0]=3 1066 B8R0.23 C[C@H](O)[C@@H](N)CN(C)C Amb25114644 [0,0,0,0,1,0|2,0,1]=4 1067 B8R0.23 C[S+](C)CC(=O)C(O)=O Amb24524581 [0,0,0,0,1,0|1,0,1]=3 1068 B8R0.23 C[S+](C)CC(N)C([O-])=O Amb25242630 [0,0,0,0,1,0|0,0,1]=2 1069 B8R0.23 C[S+](C)CC(O)C(O)=O Amb24373144 [0,0,0,0,1,0|1,0,0]=2 1070 B8R0.23 ClC(C(=O)O)CC(C)C Amb17593753 [0,0,0,0,1,0|2,0,0]=3 1071 B8R0.23 F[C@H](C(=O)O)CC(C)C Amb10841083 [0,0,0,0,1,0|2,0,0]=3 1072 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [0,0,0,0,1,0|3,0,0]=4 1073 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [0,0,0,0,1,0|3,0,0]=4 1074 B8R0.23 NC(=S)CC(N)C(O)=O Amb24728838 [0,0,0,0,1,0|3,0,0]=4 1075 B8R0.23 NC(C(=O)O)CC(F)F Amb13952714 [0,0,0,0,1,0|3,0,0]=4 1076 B8R0.23 NC(C(=O)O)CC(F)F Amb13952720 [0,0,0,0,1,0|3,0,0]=4 1077 B8R0.23 NC(CC(F)Cl)C(O)=O Amb24339513 [0,0,0,0,1,0|3,0,0]=4 1078 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [0,0,0,0,1,0|3,0,0]=4 1079 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [0,0,0,0,1,0|3,0,0]=4 1080 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [0,0,0,0,1,0|3,0,0]=4 1081 B8R0.23 NC(CN(S)S)C(O)=O Amb24655070 [0,0,0,0,1,0|3,0,0]=4 1082 B8R0.23 NC(CS(=O)=O)C(O)=O Amb24480078 [0,0,0,0,1,0|2,0,1]=4 1083 B8R0.23 NC(CS(N)=O)C(O)=O Amb25139436 [0,0,0,0,1,0|2,0,1]=4 1084 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [0,0,0,0,1,0|2,0,1]=4 1085 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [0,0,0,0,1,0|3,0,0]=4 1086 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [0,0,0,0,1,0|3,0,0]=4 1087 B8R0.23 NC(C[N+]([O-])=O)C(O)=O Amb24642660 [0,0,0,0,1,0|3,0,0]=4 1088 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [0,0,0,0,1,0|3,0,0]=4 1089 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [0,0,0,0,1,0|3,0,0]=4 1090 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [0,0,0,0,1,0|3,0,0]=4 1091 B8R0.23 N[C@@H](C(=O)N)CC(C)C Amb16183944 [0,0,0,0,1,0|2,0,0]=3 1092 B8R0.23 N[C@@H](CB(O)O)C(O)=O Amb25844412 [0,0,0,0,1,0|3,0,0]=4 1093 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O Amb24746791 [0,0,0,0,1,0|3,0,0]=4 1094 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [0,0,0,0,1,0|3,0,0]=4 1095 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [0,0,0,0,1,0|3,0,0]=4 1096 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [0,0,0,0,1,0|3,0,0]=4 1097 B8R0.23 N[C@@H](C[N+]([O-])=O)C(O)=O Amb25710255 [0,0,0,0,1,0|3,0,0]=4 1098 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [0,0,0,0,1,0|3,0,0]=4 1099 B8R0.23 N[C@H](C(=O)N)CC(C)C Amb10670112 [0,0,0,0,1,0|2,0,0]=3 1100 B8R0.23 N[C@H](CC(F)F)C(O)=O Amb25117310 [0,0,0,0,1,0|3,0,0]=4 1101 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [0,0,0,0,1,0|3,0,0]=4 1102 B8R0.23 N[C@H](CN(S)S)C(O)=O Amb24564540 [0,0,0,0,1,0|3,0,0]=4 1103 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [0,0,0,0,1,0|2,0,1]=4 1104 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [0,0,0,0,1,0|3,0,0]=4 1105 B8R0.23 O[C@H](C(=O)O)CC(C)C Amb16232074 [0,0,0,0,1,0|2,0,0]=3 1106 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337118 [0,0,0,0,1,0|1,0,0]=2 1107 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [0,0,0,0,1,0|3,0,0]=4 1108 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [0,0,0,0,1,0|3,0,0]=4 1109 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [0,0,0,0,1,0|3,0,0]=4 1110 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [0,0,0,0,1,0|3,0,0]=4 1111 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [0,0,0,0,1,0|3,0,0]=4 1112 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [0,0,0,0,1,0|3,0,0]=4 1113 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [0,0,0,0,1,0|3,0,0]=4 1114 B10R0.96 CC(C)=CCC(C)CC(O)=O Amb25381501 [0,0,0,0,0,1|2,0,1]=4 1115 B10R0.96 CC(C)CCC(C)NC(C)=O Amb25379480 [0,0,0,0,0,1|3,0,0]=4 1116 B10R0.96 CC(C)CCC(N)C=C(C)C Amb24761908 [0,0,0,0,0,1|3,0,0]=4 1117 B10R0.96 CC(C)\C=C\C(N)CC(O)=O Amb25384149 [0,0,0,0,0,1|1,0,2]=4 1118 B10R0.96 CC(CCN(C)C)NC(N)=O Amb18792126 [0,0,0,0,0,1|3,0,0]=4 1119 B10R0.96 CN(C)\C=C\C(N)CC(O)=O Amb25384150 [0,0,0,0,0,1|1,0,2]=4 1120 B10R0.96 C\C(\CCN(C)C)=C\C(O)=O Amb25385018 [0,0,0,0,0,1|2,0,1]=4 1121 B10R0.96 NC(=O)CC[C@@H](N)CC(O)=O Amb22746285 [0,0,0,0,0,1|3,0,0]=4 1122 B10R0.96 NC(=O)CC[C@H](N)CC(O)=O Amb22348459 [0,0,0,0,0,1|3,0,0]=4 1123 B10R0.96 NC(CC(O)=O)CCC(O)=O Amb22552564 [0,0,0,0,0,1|3,0,0]=4 1124 B10R0.96 N[C@@H](CC(O)=O)CCC(O)=O Amb22750585 [0,0,0,0,0,1|3,0,0]=4 1125 B10R0.96 OC(=O)CC[C@@H](CC(=O)O)N Amb16232070 [0,0,0,0,0,1|3,0,0]=4 1126 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [0,0,0,0,0,1|2,0,0]=3 1127 B10R0.98 CC(=O)NCC[C@@H](C)C(O)=O Amb25384439 [0,0,0,0,0,1|3,0,0]=4 1128 B10R0.98 CC(=O)NCC[C@H](C)C(O)=O Amb25384440 [0,0,0,0,0,1|3,0,0]=4 1129 B10R0.98 CC(=O)NOCC(N)C(O)=O Amb25385232 [0,0,0,0,0,1|3,0,0]=4 1130 B10R0.98 CC(=O)OCC[C@@H](N)C(O)=O Amb19130288 [0,0,0,0,0,1|2,0,0]=3 1131 B10R0.98 CC(C(=O)O)NCCC(C)C Amb10609116 [0,0,0,0,0,1|2,0,0]=3 1132 B10R0.98 CC(C)=C=CCC(N)C(O)=O Amb24710300 [0,0,0,0,0,1|1,0,1]=3 1133 B10R0.98 CC(C)=CCCC(C)C(N)=O Amb24764701 [0,0,0,0,0,1|3,0,0]=4 1134 B10R0.98 CC(C)=CCCC(C)C(O)=O Amb18644857 [0,0,0,0,0,1|2,0,0]=3 1135 B10R0.98 CC(C)=CCCC(O)C(O)=O Amb24762777 [0,0,0,0,0,1|2,0,0]=3 1136 B10R0.98 CC(C)=CCC[C@@H](C)C(O)=O Amb25385187 [0,0,0,0,0,1|2,0,0]=3 1137 B10R0.98 CC(C)=CCC[C@H](C)C(C)=O Amb24765006 [0,0,0,0,0,1|3,0,0]=4 1138 B10R0.98 CC(C)=CCC[C@H](C)C(O)=O Amb25384978 [0,0,0,0,0,1|2,0,0]=3 1139 B10R0.98 CC(C)=CCC[C@H](N)C(O)=O Amb25383796 [0,0,0,0,0,1|1,0,0]=2 1140 B10R0.98 CC(C)=CCN[C@@H](C)C(O)=O Amb24755639 [0,0,0,0,0,1|2,0,1]=4 1141 B10R0.98 CC(C)=CCN[C@H](C)C(O)=O Amb25383666 [0,0,0,0,0,1|2,0,1]=4 1142 B10R0.98 CC(C)=CSCC(N)C(O)=O Amb25386034 [0,0,0,0,0,1|1,0,1]=3 1143 B10R0.98 CC(C)=NOCC(Cl)C(O)=O Amb25386322 [0,0,0,0,0,1|3,0,0]=4 1144 B10R0.98 CC(C)CCC[C@@H](N)C(O)=O Amb22745714 [0,0,0,0,0,1|1,0,0]=2 1145 B10R0.98 CC(C)C\C=C\C(C)C(O)=O Amb25385206 [0,0,0,0,0,1|2,0,1]=4 1146 B10R0.98 CC(C)\C=C\C[C@H](C)C(O)=O Amb25384957 [0,0,0,0,0,1|2,0,1]=4 1147 B10R0.98 CC(CCCC(C)N)C(O)=O Amb19337779 [0,0,0,0,0,1|3,0,0]=4 1148 B10R0.98 CC(CCCC(C)N)C(O)=O Amb22059651 [0,0,0,0,0,1|3,0,0]=4 1149 B10R0.98 C\C(=C/CCC(C)C)\C(O)=O Amb25386297 [0,0,0,0,0,1|2,0,1]=4 1150 B10R0.98 C\C(=C\CCN(C)C)\C(O)=O Amb25385181 [0,0,0,0,0,1|2,0,1]=4 1151 B10R0.98 NC(=N)NCCC(C(=O)O)N Amb16233058 [0,0,0,0,0,1|3,0,0]=4 1152 B10R0.98 NC(=N)NCC[C@@H](N)C(O)=O Amb22745595 [0,0,0,0,0,1|3,0,0]=4 1153 B10R0.98 NC(=N)NCC[C@H](N)C(O)=O Amb20240584 [0,0,0,0,0,1|3,0,0]=4 1154 B10R0.98 NC(=O)CCCC(C(=O)O)N Amb17614984 [0,0,0,0,0,1|3,0,0]=4 1155 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [0,0,0,0,0,1|3,0,0]=4 1156 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [0,0,0,0,0,1|3,0,0]=4 1157 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [0,0,0,0,0,1|3,0,0]=4 1158 B10R0.98 NC(CCCC(O)=O)C(O)=O Amb22740152 [0,0,0,0,0,1|3,0,0]=4 1159 B10R0.98 NC(CSCC(O)=O)C(O)=O Amb23566716 [0,0,0,0,0,1|3,0,0]=4 1160 B10R0.98 NC(N)=NCCC(N)C(O)=O Amb22492813 [0,0,0,0,0,1|3,0,0]=4 1161 B10R0.98 N[C@H](CSCC(O)=O)C(O)=O Amb22745445 [0,0,0,0,0,1|3,0,0]=4 1162 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N Amb16232500 [0,0,0,0,0,1|3,0,0]=4 1163 B7R0.3 C#CCCC(N)C=O Amb25233211 [2,0,0,0,0,0|1,0,1]=4 1164 B7R0.3 CC(C=O)CCCC Amb17593191 [2,0,0,0,0,0|2,0,0]=4 1165 B7R0.3 CCCCC(C=O)Br Amb17594581 [2,0,0,0,0,0|2,0,0]=4 1166 B7R0.3 CCCCC(CO)N Amb2236185 [2,0,0,0,0,0|1,0,1]=4 1167 B7R0.3 CCCCC(Cl)C=O Amb18642973 [2,0,0,0,0,0|2,0,0]=4 1168 B7R0.3 CCCCC(N)C=C Amb24677154 [2,0,0,0,0,0|2,0,0]=4 1169 B7R0.3 CCCC[C@@H](N)C=C Amb25710927 [2,0,0,0,0,0|2,0,0]=4 1170 B7R0.3 CCCC[C@@H](N)CO Amb23440322 [2,0,0,0,0,0|1,0,1]=4 1171 B7R0.3 CCCC[C@@H](O)C=O Amb24481527 [2,0,0,0,0,0|2,0,0]=4 1172 B7R0.3 CCCC[C@H](F)C=O Amb25143375 [2,0,0,0,0,0|2,0,0]=4 1173 B7R0.3 CSCCC(N)C=O Amb25367403 [2,0,0,0,0,0|0,0,1]=3 1174 B7R0.3 CSCCC(O)C=O Amb25107714 [2,0,0,0,0,0|1,0,1]=4 1175 B7R0.3 CSCC[C@@H](N)CO Amb22753875 [2,0,0,0,0,0|0,0,2]=4 1176 B7R0.3 CSCC[C@@H](O)C=O Amb24481522 [2,0,0,0,0,0|1,0,1]=4 1177 B7R0.3 NCCCC(N)C=O Amb24653292 [2,0,0,0,0,0|2,0,0]=4 1178 B7R0.3 OCC(CCSC)N Amb2236184 [2,0,0,0,0,0|0,0,2]=4 1179 B7R0.4 CC(=C)CCCC=O Amb18641705 [2,0,0,0,0,0|1,0,1]=4 1180 B7R0.4 CC(=O)CCCC=O Amb18641775 [2,0,0,0,0,0|2,0,0]=4 1181 B7R0.4 CC(C)CCCC=C Amb25127926 [2,0,0,0,0,0|2,0,0]=4 1182 B7R0.4 CC(C)CCCC=O Amb17940235 [2,0,0,0,0,0|1,0,0]=3 1183 B7R0.4 CC(C)CCCNO Amb25232356 [2,0,0,0,0,0|2,0,0]=4 1184 B7R0.4 CC(O)CCCC=O Amb18641887 [2,0,0,0,0,0|2,0,0]=4 1185 B7R0.4 CCCCCC([O-])=O Amb22337624 [2,0,0,0,0,0|1,0,1]=4 1186 B7R0.4 CCCCCC([O-])=O Amb22525161 [2,0,0,0,0,0|1,0,1]=4 1187 B7R0.4 CCCCCC([O-])=O Amb22730527 [2,0,0,0,0,0|1,0,1]=4 1188 B7R0.4 CCCCCC([O-])=O Amb22731343 [2,0,0,0,0,0|1,0,1]=4 1189 B7R0.4 CCCCC[13C](O)=O Amb22353417 [2,0,0,0,0,0|1,0,0]=3 1190 B7R0.4 CCCC[13CH2][13C](O)=O Amb22367381 [2,0,0,0,0,0|1,0,0]=3 1191 B7R0.4 CCCNCC(=O)O Amb10609640 [2,0,0,0,0,0|2,0,0]=4 1192 B7R0.4 CCCNCC(=O)O Amb1110628 [2,0,0,0,0,0|2,0,0]=4 1193 B7R0.4 CCCSCC(=O)O Amb1137113 [2,0,0,0,0,0|2,0,0]=4 1194 B7R0.4 CN(C)CCCC=O Amb22753951 [2,0,0,0,0,0|1,0,0]=3 1195 B7R0.4 CN(C)CCCC=O Amb24117840 [2,0,0,0,0,0|1,0,0]=3 1196 B7R0.4 CN(C)CCNC=O Amb21858796 [2,0,0,0,0,0|2,0,0]=4 1197 B7R0.4 CNCCCC(=O)O Amb1153115 [2,0,0,0,0,0|1,0,0]=3 1198 B7R0.4 CNCCCC(N)=O Amb18303611 [2,0,0,0,0,0|2,0,0]=4 1199 B7R0.4 CNCCCS(O)=O Amb24656214 [2,0,0,0,0,0|2,0,0]=4 1200 B7R0.4 COCCCC(=O)Cl Amb24481572 [2,0,0,0,0,0|1,1,0]=4 1201 B7R0.4 COCCCC(N)=O Amb24670109 [2,0,0,0,0,0|1,1,0]=4 1202 B7R0.4 CONCCC(O)=O Amb24441275 [2,0,0,0,0,0|1,1,0]=4 1203 B7R0.4 CSCCCC(=O)O Amb17503622 [2,0,0,0,0,0|0,0,1]=3 1204 B7R0.4 CSCCCC(C)=O Amb25122381 [2,0,0,0,0,0|1,0,1]=4 1205 B7R0.4 CSCCCC(N)=O Amb19129736 [2,0,0,0,0,0|1,0,1]=4 1206 B7R0.4 C[C@@H](O)CCCC=O Amb22896885 [2,0,0,0,0,0|2,0,0]=4 1207 B7R0.4 C[Se]CCCC(O)=O Amb22347334 [2,0,0,0,0,0|0,1,0]=3 1208 B7R0.4 C\C=C\CCC(=O)O Amb10071500 [2,0,0,0,0,0|1,0,1]=4 1209 B7R0.4 N#CCCCC(O)=O Amb18560874 [2,0,0,0,0,0|2,0,0]=4 1210 B7R0.4 NNCCCC(O)=O Amb24455803 [2,0,0,0,0,0|2,0,0]=4 1211 B7R0.4 NOCCCC(=O)O Amb10975956 [2,0,0,0,0,0|1,1,0]=4 1212 B7R0.4 NOCCCC(O)=O Amb22011795 [2,0,0,0,0,0|1,1,0]=4 1213 B7R0.4 O=CCCC=C(C)C Amb17593168 [2,0,0,0,0,0|1,0,1]=4 1214 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|2,0,0]=4 1215 B7R0.4 OCCCCC(O)=O Amb22351244 [2,0,0,0,0,0|2,0,0]=4 1216 B7R0.4 SCCCCC(=O)O Amb17503767 [2,0,0,0,0,0|2,0,0]=4 1217 B7R0.5 C#CCC(N)C(O)=O Amb19944472 [2,0,0,0,0,0|0,0,2]=4 1218 B7R0.5 C#CC[C@@H](N)C(O)=O Amb22748688 [2,0,0,0,0,0|0,0,2]=4 1219 B7R0.5 C=CCC(N)C(O)=O Amb21856826 [2,0,0,0,0,0|0,0,2]=4 1220 B7R0.5 C=CC[C@@H](N)C(O)=O Amb22745310 [2,0,0,0,0,0|0,0,2]=4 1221 B7R0.5 CC(=O)C(N)CCO Amb25087112 [2,0,0,0,0,0|1,1,0]=4 1222 B7R0.5 CC(C(=O)O)CNC Amb13952364 [2,0,0,0,0,0|2,0,0]=4 1223 B7R0.5 CC(CCF)C(O)=O Amb24678386 [2,0,0,0,0,0|2,0,0]=4 1224 B7R0.5 CC(CCN)C(O)=O Amb20667970 [2,0,0,0,0,0|2,0,0]=4 1225 B7R0.5 CC(CCO)C(O)=O Amb18641949 [2,0,0,0,0,0|1,1,0]=4 1226 B7R0.5 CC(CCS)C(O)=O Amb25133689 [2,0,0,0,0,0|1,0,1]=4 1227 B7R0.5 CC(O)C(N)CCC Amb24656798 [2,0,0,0,0,0|1,0,1]=4 1228 B7R0.5 CCCC(=C)C(O)=O Amb18641779 [2,0,0,0,0,0|1,0,1]=4 1229 B7R0.5 CCCC(=O)C(O)=O Amb22347924 [2,0,0,0,0,0|1,0,1]=4 1230 B7R0.5 CCCC(=O)C(O)=O Amb22733540 [2,0,0,0,0,0|1,0,1]=4 1231 B7R0.5 CCCC(Br)C(=O)Br Amb24369503 [2,0,0,0,0,0|2,0,0]=4 1232 B7R0.5 CCCC(C(=O)Cl)Br Amb17569837 [2,0,0,0,0,0|2,0,0]=4 1233 B7R0.5 CCCC(C(=O)O)Cl Amb17593470 [2,0,0,0,0,0|1,0,0]=3 1234 B7R0.5 CCCC(C(=O)O)O Amb2582532 [2,0,0,0,0,0|1,0,0]=3 1235 B7R0.5 CCCC(Cl)C(N)=O Amb25024550 [2,0,0,0,0,0|2,0,0]=4 1236 B7R0.5 CCCC(F)C(O)=O Amb25842008 [2,0,0,0,0,0|1,0,0]=3 1237 B7R0.5 CCCC(N)C(=O)S Amb25378817 [2,0,0,0,0,0|0,1,0]=3 1238 B7R0.5 CCCC(N)C(C)=C Amb24643425 [2,0,0,0,0,0|2,0,0]=4 1239 B7R0.5 CCCC(N)C(N)=O Amb22284825 [2,0,0,0,0,0|1,0,0]=3 1240 B7R0.5 CCCC(N)P(O)O Amb24401110 [2,0,0,0,0,0|1,0,1]=4 1241 B7R0.5 CCCC(O)C(C)=O Amb22495823 [2,0,0,0,0,0|2,0,0]=4 1242 B7R0.5 CCCC(O)C(N)=O Amb24116553 [2,0,0,0,0,0|2,0,0]=4 1243 B7R0.5 CCCC(O)C([O-])=O Amb22731263 [2,0,0,0,0,0|1,0,1]=4 1244 B7R0.5 CCCC(O)P(O)=O Amb25143218 [2,0,0,0,0,0|2,0,0]=4 1245 B7R0.5 CCCC(S)C(C)=O Amb24689502 [2,0,0,0,0,0|2,0,0]=4 1246 B7R0.5 CCCC(S)C(O)=O Amb18124440 [2,0,0,0,0,0|1,0,0]=3 1247 B7R0.5 CCC[C@@H](C)C(C)=O Amb24631887 [2,0,0,0,0,0|2,0,0]=4 1248 B7R0.5 CCC[C@@H](C)C(N)=O Amb25257881 [2,0,0,0,0,0|2,0,0]=4 1249 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [2,0,0,0,0,0|1,0,0]=3 1250 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [2,0,0,0,0,0|1,0,0]=3 1251 B7R0.5 CCC[C@@H](O)C(C)=O Amb24432580 [2,0,0,0,0,0|2,0,0]=4 1252 B7R0.5 CCC[C@@H](O)C(O)=O Amb22746731 [2,0,0,0,0,0|1,0,0]=3 1253 B7R0.5 CCC[C@H](C)C(N)=O Amb25305606 [2,0,0,0,0,0|2,0,0]=4 1254 B7R0.5 CCC[C@H](F)C(O)=O Amb24657412 [2,0,0,0,0,0|1,0,0]=3 1255 B7R0.5 CCC[C@H](O)C(C)=O Amb25097084 [2,0,0,0,0,0|2,0,0]=4 1256 B7R0.5 CCC[C@H](O)C(N)=O Amb25082239 [2,0,0,0,0,0|2,0,0]=4 1257 B7R0.5 CCC[C@H](O)C(O)=O Amb22226514 [2,0,0,0,0,0|1,0,0]=3 1258 B7R0.5 CCN[C@H](C)C(O)=O Amb24351099 [2,0,0,0,0,0|2,0,0]=4 1259 B7R0.5 CCOC(O)C(O)=O Amb24680848 [2,0,0,0,0,0|2,0,0]=4 1260 B7R0.5 CCO[C@H](C)C(O)=O Amb24660035 [2,0,0,0,0,0|2,0,0]=4 1261 B7R0.5 CCSC(O)C(O)=O Amb24444218 [2,0,0,0,0,0|2,0,0]=4 1262 B7R0.5 CCS[C@@H](C)C(O)=O Amb25083211 [2,0,0,0,0,0|2,0,0]=4 1263 B7R0.5 CCS[C@H](C)C(O)=O Amb25259517 [2,0,0,0,0,0|2,0,0]=4 1264 B7R0.5 CC\C=C(\N)/C(O)=O Amb24349496 [2,0,0,0,0,0|0,0,2]=4 1265 B7R0.5 CNCC(C(=O)O)N Amb10071505 [2,0,0,0,0,0|1,0,0]=3 1266 B7R0.5 CNCC(C(=O)O)N Amb10845350 [2,0,0,0,0,0|1,0,0]=3 1267 B7R0.5 CNCC(F)C(O)=O Amb24666017 [2,0,0,0,0,0|2,0,0]=4 1268 B7R0.5 CNCC(N)C(N)=O Amb25316352 [2,0,0,0,0,0|2,0,0]=4 1269 B7R0.5 CNC[C@@H](C(=O)O)N Amb17617148 [2,0,0,0,0,0|1,0,0]=3 1270 B7R0.5 CNC[C@@H](N)C(O)=O Amb19133072 [2,0,0,0,0,0|1,0,0]=3 1271 B7R0.5 CNC[C@@H](N)C(O)=O Amb22746009 [2,0,0,0,0,0|1,0,0]=3 1272 B7R0.5 CNC[C@@H](N)C(O)=O Amb22748835 [2,0,0,0,0,0|1,0,0]=3 1273 B7R0.5 CNC[C@H](N)C(O)=O Amb19892230 [2,0,0,0,0,0|1,0,0]=3 1274 B7R0.5 CNC[C@H](O)C(O)=O Amb25689188 [2,0,0,0,0,0|2,0,0]=4 1275 B7R0.5 COCC(C(=O)O)Br Amb17594709 [2,0,0,0,0,0|1,1,0]=4 1276 B7R0.5 COCC(C(=O)O)Cl Amb10068384 [2,0,0,0,0,0|1,1,0]=4 1277 B7R0.5 COCC(F)C(O)=O Amb24526772 [2,0,0,0,0,0|1,1,0]=4 1278 B7R0.5 COCC(N)C(N)=O Amb18984372 [2,0,0,0,0,0|1,1,0]=4 1279 B7R0.5 COCC(O)C(O)=O Amb18124273 [2,0,0,0,0,0|1,1,0]=4 1280 B7R0.5 COC[C@@H](N)C(N)=O Amb25211762 [2,0,0,0,0,0|1,1,0]=4 1281 B7R0.5 COC[C@@H](N)C(O)=O Amb22744762 [2,0,0,0,0,0|0,1,0]=3 1282 B7R0.5 COC[C@@H](O)C(O)=O Amb25829059 [2,0,0,0,0,0|1,1,0]=4 1283 B7R0.5 COC[C@H](C(=O)O)N Amb10604051 [2,0,0,0,0,0|0,1,0]=3 1284 B7R0.5 CSCC(C)C(O)=O Amb18967825 [2,0,0,0,0,0|1,0,1]=4 1285 B7R0.5 CSCC(N)C(N)=O Amb18294390 [2,0,0,0,0,0|1,0,1]=4 1286 B7R0.5 CSCC(O)C(O)=O Amb25131873 [2,0,0,0,0,0|1,0,1]=4 1287 B7R0.5 CSC[C@H](O)C(O)=O Amb24435256 [2,0,0,0,0,0|1,0,1]=4 1288 B7R0.5 C[C@@H](C(=O)O)CCC Amb10844028 [2,0,0,0,0,0|1,0,0]=3 1289 B7R0.5 C[C@@H](CCS)C(O)=O Amb25786376 [2,0,0,0,0,0|1,0,1]=4 1290 B7R0.5 C[C@@H](O)[C@H](N)CCC Amb25328641 [2,0,0,0,0,0|1,0,1]=4 1291 B7R0.5 C[C@H](C(=O)O)CCC Amb10844037 [2,0,0,0,0,0|1,0,0]=3 1292 B7R0.5 C[C@H](C(=O)O)CCN Amb10844043 [2,0,0,0,0,0|2,0,0]=4 1293 B7R0.5 C[C@H](C(=O)O)COC Amb10844266 [2,0,0,0,0,0|1,1,0]=4 1294 B7R0.5 C[C@H](CCO)C(O)=O Amb24483065 [2,0,0,0,0,0|1,1,0]=4 1295 B7R0.5 C[C@H](O)[C@H](N)CCC Amb24604367 [2,0,0,0,0,0|1,0,1]=4 1296 B7R0.5 C[Se]C[C@@H](C(=O)O)N Amb10601626 [2,0,0,0,0,0|0,1,0]=3 1297 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22350259 [2,0,0,0,0,0|0,1,0]=3 1298 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22745692 [2,0,0,0,0,0|0,1,0]=3 1299 B7R0.5 C\C=C\C(N)C(O)=O Amb24481451 [2,0,0,0,0,0|0,0,2]=4 1300 B7R0.5 NC(C(=O)O)CCBr Amb10576584 [2,0,0,0,0,0|1,0,0]=3 1301 B7R0.5 NC(CC#N)C(O)=O Amb18641766 [2,0,0,0,0,0|1,0,1]=4 1302 B7R0.5 NC(CCBr)C(O)=O Amb21858417 [2,0,0,0,0,0|1,0,0]=3 1303 B7R0.5 NC(CCF)C(N)=O Amb24391278 [2,0,0,0,0,0|2,0,0]=4 1304 B7R0.5 NC(CCI)C(O)=O Amb25339674 [2,0,0,0,0,0|1,0,0]=3 1305 B7R0.5 NC(CCO)C(N)=O Amb24481392 [2,0,0,0,0,0|1,1,0]=4 1306 B7R0.5 NC(CCS)C(N)=O Amb24599383 [2,0,0,0,0,0|1,0,1]=4 1307 B7R0.5 NC(CCS)C(O)=O Amb19267093 [2,0,0,0,0,0|0,0,1]=3 1308 B7R0.5 NC(CS=O)C(O)=O Amb24557184 [2,0,0,0,0,0|1,0,1]=4 1309 B7R0.5 NC(CSCl)C(O)=O Amb24482298 [2,0,0,0,0,0|1,0,1]=4 1310 B7R0.5 NC(CSO)C(O)=O Amb24746797 [2,0,0,0,0,0|1,0,1]=4 1311 B7R0.5 NC(CSS)C(O)=O Amb24614616 [2,0,0,0,0,0|1,0,1]=4 1312 B7R0.5 NCCC(C(=O)O)F Amb10838221 [2,0,0,0,0,0|2,0,0]=4 1313 B7R0.5 NCCC(C(=O)O)O Amb16232090 [2,0,0,0,0,0|2,0,0]=4 1314 B7R0.5 NCCC(Cl)C(O)=O Amb18124502 [2,0,0,0,0,0|2,0,0]=4 1315 B7R0.5 NCCC(F)C(O)=O Amb22229524 [2,0,0,0,0,0|2,0,0]=4 1316 B7R0.5 NCCC(N)C(N)=O Amb24634873 [2,0,0,0,0,0|2,0,0]=4 1317 B7R0.5 NCCC(N)C(O)=O Amb17678762 [2,0,0,0,0,0|1,0,0]=3 1318 B7R0.5 NCCC(N)C(O)=O Amb22348212 [2,0,0,0,0,0|1,0,0]=3 1319 B7R0.5 NCCC(S)C(O)=O Amb25083375 [2,0,0,0,0,0|2,0,0]=4 1320 B7R0.5 NCC[C@@H](Cl)C(O)=O Amb24481492 [2,0,0,0,0,0|2,0,0]=4 1321 B7R0.5 NCC[C@@H](F)C(O)=O Amb24055858 [2,0,0,0,0,0|2,0,0]=4 1322 B7R0.5 NCC[C@@H](N)C(O)=O Amb22750574 [2,0,0,0,0,0|1,0,0]=3 1323 B7R0.5 NCC[C@@H](N)C(O)=O Amb23438994 [2,0,0,0,0,0|1,0,0]=3 1324 B7R0.5 NCC[C@@H](O)C(O)=O Amb22225364 [2,0,0,0,0,0|2,0,0]=4 1325 B7R0.5 NCC[C@@H](O)C(O)=O Amb22748225 [2,0,0,0,0,0|2,0,0]=4 1326 B7R0.5 NCC[C@H](F)C(O)=O Amb24055857 [2,0,0,0,0,0|2,0,0]=4 1327 B7R0.5 NCC[C@H](N)C(O)=O Amb22886961 [2,0,0,0,0,0|1,0,0]=3 1328 B7R0.5 NOCC(N)C(O)=O Amb24184086 [2,0,0,0,0,0|1,1,0]=4 1329 B7R0.5 NOC[C@@H](N)C(O)=O Amb25791301 [2,0,0,0,0,0|1,1,0]=4 1330 B7R0.5 NOC[C@H](N)C(O)=O Amb24548229 [2,0,0,0,0,0|1,1,0]=4 1331 B7R0.5 N[C@@H](C(=O)O)CC#C Amb16183954 [2,0,0,0,0,0|0,0,2]=4 1332 B7R0.5 N[C@@H](C(=O)O)CCN Amb16183852 [2,0,0,0,0,0|1,0,0]=3 1333 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [2,0,0,0,0,0|0,1,1]=4 1334 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [2,0,0,0,0,0|0,1,1]=4 1335 B7R0.5 N[C@@H](CCBr)C(O)=O Amb22748283 [2,0,0,0,0,0|1,0,0]=3 1336 B7R0.5 N[C@@H](CCO)C(O)=O Amb20242705 [2,0,0,0,0,0|0,1,0]=3 1337 B7R0.5 N[C@@H](CCS)P(O)=O Amb24594746 [2,0,0,0,0,0|1,0,1]=4 1338 B7R0.5 N[C@@H](CCS)S(O)=O Amb25784628 [2,0,0,0,0,0|1,0,1]=4 1339 B7R0.5 N[C@@H](CNO)C(O)=O Amb24481412 [2,0,0,0,0,0|1,1,0]=4 1340 B7R0.5 N[C@@H](CO[SiH3])C(O)=O Amb24526864 [2,0,0,0,0,0|0,2,0]=4 1341 B7R0.5 N[C@@H](CSCl)C(O)=O Amb25055747 [2,0,0,0,0,0|1,0,1]=4 1342 B7R0.5 N[C@@H](CSO)C(O)=O Amb24481432 [2,0,0,0,0,0|1,0,1]=4 1343 B7R0.5 N[C@H](C(=O)O)CC#N Amb16183916 [2,0,0,0,0,0|1,0,1]=4 1344 B7R0.5 N[C@H](C(=O)O)CC=C Amb10982568 [2,0,0,0,0,0|0,0,2]=4 1345 B7R0.5 N[C@H](C(=O)O)CCN Amb16183862 [2,0,0,0,0,0|1,0,0]=3 1346 B7R0.5 N[C@H](CCS)C(O)=O Amb22230515 [2,0,0,0,0,0|0,0,1]=3 1347 B7R0.5 N[C@H](CNO)C(O)=O Amb24745929 [2,0,0,0,0,0|1,1,0]=4 1348 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [2,0,0,0,0,0|0,1,1]=4 1349 B7R0.5 OC(=O)C(Br)CCBr Amb19889695 [2,0,0,0,0,0|2,0,0]=4 1350 B7R0.5 OC(=O)C(Br)CCF Amb25073798 [2,0,0,0,0,0|2,0,0]=4 1351 B7R0.5 OC(=O)C(Cl)CCCl Amb18126030 [2,0,0,0,0,0|2,0,0]=4 1352 B7R0.5 OC(=O)[C@H](S)CCS Amb24483251 [2,0,0,0,0,0|1,0,1]=4 1353 B7R0.5 OC(CCS)C(O)=O Amb24586206 [2,0,0,0,0,0|1,0,1]=4 1354 B7R0.5 OCCC(O)C(O)=O Amb24689942 [2,0,0,0,0,0|1,1,0]=4 1355 B7R0.5 O[15NH]CC(C(=O)O)N Amb17608097 [2,0,0,0,0,0|1,1,0]=4 1356 B7R0.5 O[C@@H](CCF)C(O)=O Amb24481351 [2,0,0,0,0,0|2,0,0]=4 1357 B7R0.6 CC(C)CC[S+](C)C Amb24581198 [2,0,0,0,0,0|1,0,1]=4 1358 B7R0.6 CN(CCC(=O)N)C Amb17231825 [2,0,0,0,0,0|1,0,1]=4 1359 B7R0.6 CN(CCC(N)C)C Amb1141214 [2,0,0,0,0,0|1,0,1]=4 1360 B7R0.6 C[S+](C)CCC(O)=O Amb22730539 [2,0,0,0,0,0|1,0,1]=4 1361 B7R0.6 C[S+](C)CCC([O-])=O Amb20247306 [2,0,0,0,0,0|1,0,1]=4 1362 B9R0.6 C=CC[C@@H](O)[C@H](N)C(O)=O Amb24459826 [1,1,0,0,0,0|1,0,1]=4 1363 B9R0.6 CC#C[C@H](O)[C@H](N)C(O)=O Amb25313389 [1,1,0,0,0,0|1,0,1]=4 1364 B9R0.6 CC(C(C)CNC)C(O)=O Amb25379230 [1,1,0,0,0,0|2,0,0]=4 1365 B9R0.6 CC(C(N)CCC)C(O)=O Amb24763852 [1,1,0,0,0,0|2,0,0]=4 1366 B9R0.6 CC(C(O)CCC)C(O)=O Amb18310700 [1,1,0,0,0,0|2,0,0]=4 1367 B9R0.6 CC(CCC)C(N)C(O)=O Amb20622789 [1,1,0,0,0,0|1,0,0]=3 1368 B9R0.6 CC(CCC)C(S)C(O)=O Amb24438702 [1,1,0,0,0,0|2,0,0]=4 1369 B9R0.6 CC(CCCl)C(N)C(O)=O Amb25803640 [1,1,0,0,0,0|2,0,0]=4 1370 B9R0.6 CC(CCN)C(N)C(O)=O Amb25309114 [1,1,0,0,0,0|2,0,0]=4 1371 B9R0.6 CC(CCO)C(N)C(O)=O Amb25054791 [1,1,0,0,0,0|2,0,0]=4 1372 B9R0.6 CC(CCO)[C@H](N)C(O)=O Amb24744497 [1,1,0,0,0,0|2,0,0]=4 1373 B9R0.6 CC(COC)C(N)C(N)=O Amb24468545 [1,1,0,0,0,0|1,1,0]=4 1374 B9R0.6 CC(COC)C(N)C(O)=O Amb24116980 [1,1,0,0,0,0|0,1,0]=3 1375 B9R0.6 CC(COC)[C@H](N)C(O)=O Amb25729786 [1,1,0,0,0,0|0,1,0]=3 1376 B9R0.6 CC(CSC)[C@@H](N)C(O)=O Amb24482316 [1,1,0,0,0,0|0,0,1]=3 1377 B9R0.6 CC([C@H](N)CCC)C(O)=O Amb25238448 [1,1,0,0,0,0|2,0,0]=4 1378 B9R0.6 CCCC(Br)C(O)C(O)=O Amb25229083 [1,1,0,0,0,0|2,0,0]=4 1379 B9R0.6 CCCC(C(C(=O)O)N)F Amb10839857 [1,1,0,0,0,0|1,0,0]=3 1380 B9R0.6 CCCC(N)C(O)C(O)=O Amb20242874 [1,1,0,0,0,0|2,0,0]=4 1381 B9R0.6 CCCC(O)C(Br)C(O)=O Amb24633342 [1,1,0,0,0,0|2,0,0]=4 1382 B9R0.6 CCCC(O)C(N)C(N)=O Amb25375285 [1,1,0,0,0,0|2,0,0]=4 1383 B9R0.6 CCCC(O)C(N)C(O)=O Amb18124815 [1,1,0,0,0,0|1,0,0]=3 1384 B9R0.6 CCCC(O)[C@@H](N)C(O)=O Amb25268432 [1,1,0,0,0,0|1,0,0]=3 1385 B9R0.6 CCCC(S)[C@H](N)C(O)=O Amb24359854 [1,1,0,0,0,0|1,0,0]=3 1386 B9R0.6 CCC[C@@H](N)[C@@H](O)C(O)=O Amb22747816 [1,1,0,0,0,0|2,0,0]=4 1387 B9R0.6 CCC[C@@H](N)[C@H](O)C(O)=O Amb22747809 [1,1,0,0,0,0|2,0,0]=4 1388 B9R0.6 CCC[C@@H](O)[C@@H](N)C(O)=O Amb25367288 [1,1,0,0,0,0|1,0,0]=3 1389 B9R0.6 CCC[C@@H](O)[C@H](N)C(O)=O Amb24715802 [1,1,0,0,0,0|1,0,0]=3 1390 B9R0.6 CCC[C@@H](O)[C@H](O)C(O)=O Amb24480722 [1,1,0,0,0,0|2,0,0]=4 1391 B9R0.6 CCC[C@H](N)[C@H](O)C(O)=O Amb25084552 [1,1,0,0,0,0|2,0,0]=4 1392 B9R0.6 CCC[C@H](O)[C@@H](Br)C(O)=O Amb25309541 [1,1,0,0,0,0|2,0,0]=4 1393 B9R0.6 CCC[C@H](O)[C@H](Br)C(O)=O Amb24727027 [1,1,0,0,0,0|2,0,0]=4 1394 B9R0.6 CCC[C@H](O)[C@H](N)C(O)=O Amb25113866 [1,1,0,0,0,0|1,0,0]=3 1395 B9R0.6 COCC(O)C(N)C(O)=O Amb25147551 [1,1,0,0,0,0|0,1,0]=3 1396 B9R0.6 CSCC(O)C(N)C(O)=O Amb18646340 [1,1,0,0,0,0|0,0,1]=3 1397 B9R0.6 C[C@@H](CCC)[C@H](O)C(O)=O Amb25368297 [1,1,0,0,0,0|2,0,0]=4 1398 B9R0.6 C[C@@H](CCF)[C@H](N)C(O)=O Amb25147533 [1,1,0,0,0,0|2,0,0]=4 1399 B9R0.6 C[C@@H](CCO)[C@H](N)C(O)=O Amb25709206 [1,1,0,0,0,0|2,0,0]=4 1400 B9R0.6 C[C@@H](OCC)[C@@H](N)C(O)=O Amb22747686 [1,1,0,0,0,0|2,0,0]=4 1401 B9R0.6 C[C@@H]([C@@H](C(=O)O)N)OCC Amb10807408 [1,1,0,0,0,0|2,0,0]=4 1402 B9R0.6 C[C@@H]([C@@H](O)CCC)C(O)=O Amb24445556 [1,1,0,0,0,0|2,0,0]=4 1403 B9R0.6 C[C@@H]([C@H](O)CCC)C(O)=O Amb24529277 [1,1,0,0,0,0|2,0,0]=4 1404 B9R0.6 C[C@H](C(O)CCC)C(O)=O Amb25096562 [1,1,0,0,0,0|2,0,0]=4 1405 B9R0.6 C[C@H](CC=C)[C@H](N)C(O)=O Amb25347201 [1,1,0,0,0,0|1,0,1]=4 1406 B9R0.6 C[C@H](CCC)[C@H](N)C(O)=O Amb25062732 [1,1,0,0,0,0|1,0,0]=3 1407 B9R0.6 C[C@H](CCC)[C@H](O)C(O)=O Amb25786123 [1,1,0,0,0,0|2,0,0]=4 1408 B9R0.6 C[C@H](CCF)[C@H](N)C(O)=O Amb25132099 [1,1,0,0,0,0|2,0,0]=4 1409 B9R0.6 C[C@H](CCO)[C@H](N)C(O)=O Amb25111969 [1,1,0,0,0,0|2,0,0]=4 1410 B9R0.6 C[C@H](CSC)[C@@H](N)C(O)=O Amb24642749 [1,1,0,0,0,0|0,0,1]=3 1411 B9R0.6 C[C@H](CSC)[C@H](N)C(O)=O Amb25851133 [1,1,0,0,0,0|0,0,1]=3 1412 B9R0.6 C[C@H]([C@@H](O)CCC)C(O)=O Amb25789993 [1,1,0,0,0,0|2,0,0]=4 1413 B9R0.6 NC(C(S)CCO)C(O)=O Amb24724703 [1,1,0,0,0,0|2,0,0]=4 1414 B9R0.6 N[C@@H](C(S)CCO)C(O)=O Amb25320812 [1,1,0,0,0,0|2,0,0]=4 1415 B9R0.8 CC#CCC(N)C(=O)OC Amb25076019 [1,1,0,0,0,0|1,0,1]=4 1416 B9R0.8 CC#CC[C@H](N)C(=O)OC Amb25141709 [1,1,0,0,0,0|1,0,1]=4 1417 B9R0.8 CCCCC(Br)C(=O)OC Amb19514695 [1,1,0,0,0,0|2,0,0]=4 1418 B9R0.8 CCCCC(Cl)C(=O)OC Amb18800859 [1,1,0,0,0,0|2,0,0]=4 1419 B9R0.8 CCCCC(N)C(=O)C#C Amb24697836 [1,1,0,0,0,0|2,0,0]=4 1420 B9R0.8 CCCCC(N)C(=O)CC Amb25757616 [1,1,0,0,0,0|2,0,0]=4 1421 B9R0.8 CCCCC(N)C(=O)CCl Amb25065023 [1,1,0,0,0,0|2,0,0]=4 1422 B9R0.8 CCCCC(N)C(=O)NC Amb18303660 [1,1,0,0,0,0|2,0,0]=4 1423 B9R0.8 CCCCC(N)C(=O)NO Amb22059372 [1,1,0,0,0,0|1,0,0]=3 1424 B9R0.8 CCCCC(N)C(O)=NO Amb20669518 [1,1,0,0,0,0|1,0,1]=4 1425 B9R0.8 CCCCC(O)C(=O)NO Amb24482809 [1,1,0,0,0,0|2,0,0]=4 1426 B9R0.8 CCCCC(O)C(=O)OC Amb23596568 [1,1,0,0,0,0|2,0,0]=4 1427 B9R0.8 CCCCC(S)C(=O)OC Amb24745120 [1,1,0,0,0,0|2,0,0]=4 1428 B9R0.8 CCCC[C@@H](Br)C(=O)OC Amb25119304 [1,1,0,0,0,0|2,0,0]=4 1429 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb22745342 [1,1,0,0,0,0|1,0,0]=3 1430 B9R0.8 CCCC[C@@H](O)C(=O)OC Amb24430118 [1,1,0,0,0,0|2,0,0]=4 1431 B9R0.8 CCCC[C@H](C(=O)OC)N Amb16183949 [1,1,0,0,0,0|1,0,0]=3 1432 B9R0.8 CCCC[C@H](N)C(=O)CCl Amb25322512 [1,1,0,0,0,0|2,0,0]=4 1433 B9R0.8 CCCC[C@H](N)C(=O)OC Amb22169631 [1,1,0,0,0,0|1,0,0]=3 1434 B9R0.8 CCCC[C@H](O)C(=O)CO Amb24524634 [1,1,0,0,0,0|2,0,0]=4 1435 B9R0.8 CCNCC(N)C(=O)OC Amb24354468 [1,1,0,0,0,0|2,0,0]=4 1436 B9R0.8 CCSCC(N)C(=O)OC Amb18788226 [1,1,0,0,0,0|2,0,0]=4 1437 B9R0.8 CCSC[C@@H](N)C(=O)OC Amb25326708 [1,1,0,0,0,0|2,0,0]=4 1438 B9R0.8 CCSC[C@H](N)C(=O)OC Amb24726239 [1,1,0,0,0,0|2,0,0]=4 1439 B9R0.8 CNC(=O)C(N)CCOC Amb18311406 [1,1,0,0,0,0|1,1,0]=4 1440 B9R0.8 CNC(=O)C(N)CCSC Amb23443538 [1,1,0,0,0,0|1,0,1]=4 1441 B9R0.8 COC(=O)C(Cl)CCSC Amb18327893 [1,1,0,0,0,0|1,0,1]=4 1442 B9R0.8 COC(=O)C(N)CCCO Amb18644325 [1,1,0,0,0,0|2,0,0]=4 1443 B9R0.8 COC(=O)C(O)CCSC Amb18800831 [1,1,0,0,0,0|1,0,1]=4 1444 B9R0.8 COC(=O)[C@@H](N)CCC#N Amb24479018 [1,1,0,0,0,0|2,0,0]=4 1445 B9R0.8 COC(=O)[C@H](CCCN)N Amb16183971 [1,1,0,0,0,0|2,0,0]=4 1446 B9R0.8 COC(=O)[C@H](N)CCC#C Amb25367248 [1,1,0,0,0,0|1,0,1]=4 1447 B9R0.8 COC(=O)[C@H](N)CCCN Amb25823371 [1,1,0,0,0,0|2,0,0]=4 1448 B9R0.8 COC(=O)[C@H](N)COCC Amb24478281 [1,1,0,0,0,0|2,0,0]=4 1449 B9R0.8 COCCC(N)C(=O)NN Amb25117326 [1,1,0,0,0,0|1,1,0]=4 1450 B9R0.8 COCCC(N)C(=O)NO Amb25146432 [1,1,0,0,0,0|0,1,0]=3 1451 B9R0.8 COCCC(N)C(=O)OC Amb24053179 [1,1,0,0,0,0|0,1,0]=3 1452 B9R0.8 CSCCC(C(=O)OC)N Amb1152979 [1,1,0,0,0,0|0,0,1]=3 1453 B9R0.8 CSCCC(N)C(=O)NO Amb22349956 [1,1,0,0,0,0|0,0,1]=3 1454 B9R0.8 CSCCC(N)C(=O)SC Amb24650905 [1,1,0,0,0,0|0,1,1]=4 1455 B9R0.8 CSCCC(O)C(=O)CO Amb24706883 [1,1,0,0,0,0|1,0,1]=4 1456 B9R0.8 CSCC[C@@H](C(=O)NC)N Amb17232422 [1,1,0,0,0,0|1,0,1]=4 1457 B9R0.8 CSCC[C@@H](O)C(=O)CO Amb25059562 [1,1,0,0,0,0|1,0,1]=4 1458 B9R0.8 CSCC[C@H](N)C(=O)O[Zn+] Amb20241025 [1,1,0,0,0,0|0,0,1]=3 1459 B9R0.8 CSCC[C@H](O)C(=O)CO Amb25146839 [1,1,0,0,0,0|1,0,1]=4 1460 B9R0.8 NCCC[C@@H](C(=O)OC)N Amb16236222 [1,1,0,0,0,0|2,0,0]=4 1461 B9R0.13 CCC(CCOC)C(O)=O Amb25289946 [1,1,0,0,0,0|1,1,0]=4 1462 B9R0.13 CCC(CCSC)C(O)=O Amb24373794 [1,1,0,0,0,0|1,0,1]=4 1463 B9R0.13 CCCCC(C#C)C(O)=O Amb25122141 [1,1,0,0,0,0|2,0,0]=4 1464 B9R0.13 CCCCC(C=O)C(O)=O Amb25132913 [1,1,0,0,0,0|2,0,0]=4 1465 B9R0.13 CCCCC(CC)C(O)=O Amb22232366 [1,1,0,0,0,0|2,0,0]=4 1466 B9R0.13 CCCCC(CC)C(O)=O Amb22334224 [1,1,0,0,0,0|2,0,0]=4 1467 B9R0.13 CCCCC(CC)C(O)=O Amb22337839 [1,1,0,0,0,0|2,0,0]=4 1468 B9R0.13 CCCCC(CC)C(O)=O Amb22351159 [1,1,0,0,0,0|2,0,0]=4 1469 B9R0.13 CCCCC(CC)C(O)=O Amb22351729 [1,1,0,0,0,0|2,0,0]=4 1470 B9R0.13 CCCCC(CC)C(O)=O Amb22351933 [1,1,0,0,0,0|2,0,0]=4 1471 B9R0.13 CCCCC(CC)C(O)=O Amb22363218 [1,1,0,0,0,0|2,0,0]=4 1472 B9R0.13 CCCCC(NC)C(N)=O Amb24116641 [1,1,0,0,0,0|2,0,0]=4 1473 B9R0.13 CCCCC(NC)C(O)=O Amb24116642 [1,1,0,0,0,0|1,0,0]=3 1474 B9R0.13 CCCCC(NN)C(O)=O Amb18644274 [1,1,0,0,0,0|1,0,0]=3 1475 B9R0.13 CCCCC(ON)C(O)=O Amb25140283 [1,1,0,0,0,0|1,0,0]=3 1476 B9R0.13 CCCCC(SC)C(O)=O Amb24478447 [1,1,0,0,0,0|2,0,0]=4 1477 B9R0.13 CCCC[C@@H](C(=O)O)CO Amb16232529 [1,1,0,0,0,0|2,0,0]=4 1478 B9R0.13 CCCC[C@@H](CO)C(O)=O Amb22745320 [1,1,0,0,0,0|2,0,0]=4 1479 B9R0.13 CCCC[C@@H](NC)C(O)=O Amb22799980 [1,1,0,0,0,0|1,0,0]=3 1480 B9R0.13 CCCC[C@@H](NN)C(O)=O Amb25076236 [1,1,0,0,0,0|1,0,0]=3 1481 B9R0.13 CCCC[C@H](CC)C(O)=O Amb24671282 [1,1,0,0,0,0|2,0,0]=4 1482 B9R0.13 CCCC[C@H](CN)C(O)=O Amb25307811 [1,1,0,0,0,0|1,0,0]=3 1483 B9R0.13 CCCC[C@H](NCl)C(O)=O Amb24482437 [1,1,0,0,0,0|1,0,0]=3 1484 B9R0.13 CCCOC(CN)C(O)=O Amb25827128 [1,1,0,0,0,0|2,0,0]=4 1485 B9R0.13 CCSCC(NC)C(O)=O Amb18788225 [1,1,0,0,0,0|2,0,0]=4 1486 B9R0.13 CNC(CCCN)C(O)=O Amb18644280 [1,1,0,0,0,0|2,0,0]=4 1487 B9R0.13 CNC(CCOC)C(N)=O Amb24476849 [1,1,0,0,0,0|1,1,0]=4 1488 B9R0.13 CNC(CCOC)C(O)=O Amb24405197 [1,1,0,0,0,0|0,1,0]=3 1489 B9R0.13 CNC(CCSC)C(N)=O Amb18792442 [1,1,0,0,0,0|1,0,1]=4 1490 B9R0.13 CNC(CCSC)C(O)=O Amb18792506 [1,1,0,0,0,0|0,0,1]=3 1491 B9R0.13 CN[C@@H](CCCN)C(O)=O Amb24584680 [1,1,0,0,0,0|2,0,0]=4 1492 B9R0.13 COCCC(CN)C(O)=O Amb24697893 [1,1,0,0,0,0|0,1,0]=3 1493 B9R0.13 CSCCC(CN)C(O)=O Amb24618199 [1,1,0,0,0,0|0,0,1]=3 1494 B9R0.13 CSCCC(NO)C(N)=O Amb25240562 [1,1,0,0,0,0|1,0,1]=4 1495 B9R0.13 CSCCC(SC)C(O)=O Amb25111182 [1,1,0,0,0,0|1,0,1]=4 1496 B9R0.13 CSCC[C@H](NO)C(O)=O Amb25306086 [1,1,0,0,0,0|0,0,1]=3 1497 B9R0.13 NCCCC(CN)C(O)=O Amb25072736 [1,1,0,0,0,0|2,0,0]=4 1498 B9R0.13 NCCCC(NCl)C(O)=O Amb24373822 [1,1,0,0,0,0|2,0,0]=4 1499 B9R0.13 NCCCC(NN)C(O)=O Amb18644331 [1,1,0,0,0,0|2,0,0]=4 1500 B9R0.13 NCCCC(NN)C(O)=O Amb22229924 [1,1,0,0,0,0|2,0,0]=4 1501 B9R0.13 NCCC[C@@H](NN)C(O)=O Amb22801170 [1,1,0,0,0,0|2,0,0]=4 1502 B9R0.42 CC(CC(F)C(O)=O)OC Amb25298262 [1,1,0,0,0,0|1,1,0]=4 1503 B9R0.42 CC(CC(N)C(C)=O)CC Amb25747386 [1,1,0,0,0,0|2,0,0]=4 1504 B9R0.42 CC(CC(N)C(N)=O)OC Amb25349298 [1,1,0,0,0,0|1,1,0]=4 1505 B9R0.42 CC(CC(N)C(O)=O)C#C Amb25067277 [1,1,0,0,0,0|1,0,1]=4 1506 B9R0.42 CC(CC(N)C(O)=O)C#N Amb25262927 [1,1,0,0,0,0|2,0,0]=4 1507 B9R0.42 CC(CC(N)C(O)=O)C=C Amb25778211 [1,1,0,0,0,0|1,0,1]=4 1508 B9R0.42 CC(CC(N)C(O)=O)CC Amb18313985 [1,1,0,0,0,0|1,0,0]=3 1509 B9R0.42 CC(CC(N)C(O)=O)CC Amb20667726 [1,1,0,0,0,0|1,0,0]=3 1510 B9R0.42 CC(CC(N)C(O)=O)CCl Amb24480574 [1,1,0,0,0,0|2,0,0]=4 1511 B9R0.42 CC(CC(N)C(O)=O)CO Amb25147300 [1,1,0,0,0,0|2,0,0]=4 1512 B9R0.42 CC(CC(N)C(O)=O)NC Amb24711878 [1,1,0,0,0,0|1,0,0]=3 1513 B9R0.42 CC(CC(N)C(O)=O)OC Amb25147752 [1,1,0,0,0,0|0,1,0]=3 1514 B9R0.42 CC(CC(N)C(O)=O)SC Amb24365891 [1,1,0,0,0,0|0,0,1]=3 1515 B9R0.42 CC(CC(O)C(O)=O)CC Amb25849308 [1,1,0,0,0,0|2,0,0]=4 1516 B9R0.42 CC(CC(S)C(O)=O)CC Amb18798152 [1,1,0,0,0,0|2,0,0]=4 1517 B9R0.42 CC(CC(S)C(O)=O)OC Amb24641528 [1,1,0,0,0,0|1,1,0]=4 1518 B9R0.42 CC(C[C@@H](N)C(O)=O)CC Amb25127143 [1,1,0,0,0,0|1,0,0]=3 1519 B9R0.42 CC(C[C@@H](N)C(O)=O)OC Amb24412403 [1,1,0,0,0,0|0,1,0]=3 1520 B9R0.42 CC(C[C@@H](N)C(O)=O)SC Amb24692660 [1,1,0,0,0,0|0,0,1]=3 1521 B9R0.42 CC(C[C@H](N)C(O)=O)C#C Amb25214668 [1,1,0,0,0,0|1,0,1]=4 1522 B9R0.42 CC(C[C@H](N)C(O)=O)CCl Amb24479195 [1,1,0,0,0,0|2,0,0]=4 1523 B9R0.42 CCC(=C)C[C@H](N)C(O)=O Amb25694434 [1,1,0,0,0,0|1,0,1]=4 1524 B9R0.42 CCC(=O)CC(N)C(O)=O Amb22546324 [1,1,0,0,0,0|1,0,1]=4 1525 B9R0.42 CCC(=O)CC(N)C(O)=O Amb24479073 [1,1,0,0,0,0|1,0,1]=4 1526 B9R0.42 CCC(=O)C[C@H](N)C(O)=O Amb24479266 [1,1,0,0,0,0|1,0,1]=4 1527 B9R0.42 CCC(C)CC(C)C(O)=O Amb22228338 [1,1,0,0,0,0|2,0,0]=4 1528 B9R0.42 CCC(Cl)CC(N)C(O)=O Amb24374416 [1,1,0,0,0,0|1,0,0]=3 1529 B9R0.42 CCC(O)CC(N)C(O)=O Amb24117068 [1,1,0,0,0,0|1,0,0]=3 1530 B9R0.42 CCC(O)C[C@H](N)C(O)=O Amb24759913 [1,1,0,0,0,0|1,0,0]=3 1531 B9R0.42 CCS(=N)CC(N)C(O)=O Amb25046702 [1,1,0,0,0,0|2,0,0]=4 1532 B9R0.42 CCS(=N)C[C@H](N)C(O)=O Amb24502175 [1,1,0,0,0,0|2,0,0]=4 1533 B9R0.42 CC[C@@H](C)C[C@H](C)C(O)=O Amb24426532 [1,1,0,0,0,0|2,0,0]=4 1534 B9R0.42 CC[C@@H](F)C[C@H](N)C(O)=O Amb25147291 [1,1,0,0,0,0|1,0,0]=3 1535 B9R0.42 CC[C@H](C)C[C@@H](C)C(O)=O Amb24480420 [1,1,0,0,0,0|2,0,0]=4 1536 B9R0.42 CNC(=O)C[C@@H](N)C(O)=O Amb20240891 [1,1,0,0,0,0|1,0,1]=4 1537 B9R0.42 CNC(=O)C[C@H](N)C(O)=O Amb20242140 [1,1,0,0,0,0|1,0,1]=4 1538 B9R0.42 CNC(C)CC(C)C(O)=O Amb25291515 [1,1,0,0,0,0|2,0,0]=4 1539 B9R0.42 COC(=O)CC(N)C(O)=O Amb22489498 [1,1,0,0,0,0|0,1,1]=4 1540 B9R0.42 COC(=O)C[C@@H](C(=O)O)N Amb13884879 [1,1,0,0,0,0|0,1,1]=4 1541 B9R0.42 COC(=O)C[C@@H](N)C(O)=O Amb22745861 [1,1,0,0,0,0|0,1,1]=4 1542 B9R0.42 CO[C@@H](C)C[C@H](C)C(O)=O Amb24691586 [1,1,0,0,0,0|1,1,0]=4 1543 B9R0.42 C[C@@H](C[C@@H](N)C(O)=O)CC Amb25844637 [1,1,0,0,0,0|1,0,0]=3 1544 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)C=C Amb25727679 [1,1,0,0,0,0|1,0,1]=4 1545 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)CC Amb24619367 [1,1,0,0,0,0|1,0,0]=3 1546 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)CF Amb25147611 [1,1,0,0,0,0|2,0,0]=4 1547 B9R0.42 C[C@H](C[C@@H](N)C(O)=O)CC Amb25738618 [1,1,0,0,0,0|1,0,0]=3 1548 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C#N Amb24529159 [1,1,0,0,0,0|2,0,0]=4 1549 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C=C Amb24561660 [1,1,0,0,0,0|1,0,1]=4 1550 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CC Amb25662528 [1,1,0,0,0,0|1,0,0]=3 1551 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CF Amb25378691 [1,1,0,0,0,0|2,0,0]=4 1552 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CO Amb25378739 [1,1,0,0,0,0|2,0,0]=4 1553 B9R0.42 C[C@H](C[C@H](N)C(O)=O)SC Amb25848560 [1,1,0,0,0,0|0,0,1]=3 1554 B9R0.42 C[C@H](C[C@H](O)C(O)=O)CC Amb24446982 [1,1,0,0,0,0|2,0,0]=4 1555 B9R0.42 C\C(\CC(N)C(O)=O)=C/C Amb24587021 [1,1,0,0,0,0|1,0,1]=4 1556 B9R0.42 C\C(\C[C@H](N)C(O)=O)=C\C Amb24746992 [1,1,0,0,0,0|1,0,1]=4 1557 B9R0.42 NC(CC(F)CN)C(O)=O Amb24709973 [1,1,0,0,0,0|2,0,0]=4 1558 B9R0.42 NC(CC(O)CCl)C(O)=O Amb20179638 [1,1,0,0,0,0|2,0,0]=4 1559 B9R0.42 NC(CC(O)CO)C(O)=O Amb18644388 [1,1,0,0,0,0|2,0,0]=4 1560 B9R0.42 NC(CC(O)CO)C(O)=O Amb24117285 [1,1,0,0,0,0|2,0,0]=4 1561 B9R0.42 N[C@@H](CC(F)CO)C(O)=O Amb24079182 [1,1,0,0,0,0|2,0,0]=4 1562 B9R0.42 N[C@@H](CC(O)CN)C(O)=O Amb24455060 [1,1,0,0,0,0|2,0,0]=4 1563 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O Amb25367252 [1,1,0,0,0,0|2,0,0]=4 1564 B9R0.42 N[C@@H](C[C@@H](O)CN)C(O)=O Amb25320209 [1,1,0,0,0,0|2,0,0]=4 1565 B9R0.42 N[C@@H](C[C@@H](O)CO)C(O)=O Amb24680903 [1,1,0,0,0,0|2,0,0]=4 1566 B9R0.42 N[C@@H](C[C@H](O)CCl)C(O)=O Amb25265266 [1,1,0,0,0,0|2,0,0]=4 1567 B9R0.42 N[C@@H](C[C@H](O)CN)C(O)=O Amb24446199 [1,1,0,0,0,0|2,0,0]=4 1568 B9R0.42 N[C@H](C[C@@H](O)CN)C(O)=O Amb24480730 [1,1,0,0,0,0|2,0,0]=4 1569 B9R0.42 N[C@H](C[C@H](O)CN)C(O)=O Amb25147418 [1,1,0,0,0,0|2,0,0]=4 1570 B9R0.47 C#CCCC[C@@H](N)C(O)=O Amb24077358 [1,1,0,0,0,0|1,0,1]=4 1571 B9R0.47 C#CCCC[C@H](N)C(O)=O Amb24088878 [1,1,0,0,0,0|1,0,1]=4 1572 B9R0.47 C#CCNCC(N)C(O)=O Amb24524538 [1,1,0,0,0,0|1,0,1]=4 1573 B9R0.47 C#CCOCC(N)C(O)=O Amb25251552 [1,1,0,0,0,0|1,0,1]=4 1574 B9R0.47 C#CCSC[C@@H](N)C(O)=O Amb18792078 [1,1,0,0,0,0|1,0,1]=4 1575 B9R0.47 C=CCCCC(N)C(O)=O Amb22002149 [1,1,0,0,0,0|1,0,1]=4 1576 B9R0.47 C=CCCC[C@@H](N)C(O)=O Amb22831130 [1,1,0,0,0,0|1,0,1]=4 1577 B9R0.47 C=CCOC[C@H](N)C(O)=O Amb24713287 [1,1,0,0,0,0|1,0,1]=4 1578 B9R0.47 C=CCSC[C@@H](N)C(O)=O Amb22745979 [1,1,0,0,0,0|1,0,1]=4 1579 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231426 [1,1,0,0,0,0|1,0,1]=4 1580 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231427 [1,1,0,0,0,0|1,0,1]=4 1581 B9R0.47 CC#CCC[C@@H](N)C(N)=O Amb25789997 [1,1,0,0,0,0|2,0,0]=4 1582 B9R0.47 CC#CCC[C@@H](N)C(O)=O Amb25835847 [1,1,0,0,0,0|1,0,0]=3 1583 B9R0.47 CC#CSC[C@H](N)C(O)=O Amb24524580 [1,1,0,0,0,0|1,0,1]=4 1584 B9R0.47 CC(=O)C(N)CCCCN Amb18644167 [1,1,0,0,0,0|2,0,0]=4 1585 B9R0.47 CC(=O)[C@@H](N)CCCCN Amb25251380 [1,1,0,0,0,0|2,0,0]=4 1586 B9R0.47 CC(CCCCF)C(O)=O Amb24370978 [1,1,0,0,0,0|2,0,0]=4 1587 B9R0.47 CC(CCCCN)C(O)=O Amb18644200 [1,1,0,0,0,0|2,0,0]=4 1588 B9R0.47 CC=C=CCC(N)C(O)=O Amb24427636 [1,1,0,0,0,0|1,0,1]=4 1589 B9R0.47 CCCCCC(Br)C(O)=O Amb18130346 [1,1,0,0,0,0|2,0,0]=4 1590 B9R0.47 CCCCCC(C(=O)O)F Amb17593693 [1,1,0,0,0,0|2,0,0]=4 1591 B9R0.47 CCCCCC(Cl)C(O)=O Amb18646187 [1,1,0,0,0,0|2,0,0]=4 1592 B9R0.47 CCCCCC(N)C(C)=O Amb24446263 [1,1,0,0,0,0|2,0,0]=4 1593 B9R0.47 CCCCCC(N)C(N)=O Amb25843277 [1,1,0,0,0,0|2,0,0]=4 1594 B9R0.47 CCCCCC(O)C(O)=O Amb17778103 [1,1,0,0,0,0|2,0,0]=4 1595 B9R0.47 CCCCC[C@@H](C(=O)O)C Amb10844510 [1,1,0,0,0,0|2,0,0]=4 1596 B9R0.47 CCCCC[C@@H](N)C(O)=O Amb22745982 [1,1,0,0,0,0|1,0,0]=3 1597 B9R0.47 CCCCC[C@H](C(=O)O)C Amb10844515 [1,1,0,0,0,0|2,0,0]=4 1598 B9R0.47 CCCCC[C@H](N)C(N)=O Amb24502148 [1,1,0,0,0,0|2,0,0]=4 1599 B9R0.47 CCCCC[C@H](N)C(O)=O Amb17943098 [1,1,0,0,0,0|1,0,0]=3 1600 B9R0.47 CCCCC[C@H](O)C(O)=O Amb25728353 [1,1,0,0,0,0|2,0,0]=4 1601 B9R0.47 CCCCO[C@H](C)C(O)=O Amb24480807 [1,1,0,0,0,0|2,0,0]=4 1602 B9R0.47 CCCCS[C@H](C)C(O)=O Amb24725214 [1,1,0,0,0,0|2,0,0]=4 1603 B9R0.47 CCCNCC(O)C(O)=O Amb24734975 [1,1,0,0,0,0|2,0,0]=4 1604 B9R0.47 CCCOCC(Cl)C(O)=O Amb25713951 [1,1,0,0,0,0|2,0,0]=4 1605 B9R0.47 CCCOCC(N)C(O)=O Amb24621740 [1,1,0,0,0,0|1,0,0]=3 1606 B9R0.47 CCCOCC(O)C(O)=O Amb25098725 [1,1,0,0,0,0|2,0,0]=4 1607 B9R0.47 CCCSCC(N)C(N)=O Amb18788146 [1,1,0,0,0,0|2,0,0]=4 1608 B9R0.47 CCCSC[C@@H](N)C(O)=O Amb18792511 [1,1,0,0,0,0|1,0,0]=3 1609 B9R0.47 CCCSC[C@H](O)C(O)=O Amb24482234 [1,1,0,0,0,0|2,0,0]=4 1610 B9R0.47 CCC\C=C\C(N)C(O)=O Amb24656860 [1,1,0,0,0,0|1,0,1]=4 1611 B9R0.47 CCC\C=C\[C@H](N)C(O)=O Amb24547580 [1,1,0,0,0,0|1,0,1]=4 1612 B9R0.47 CCOCCC(N)C(N)=O Amb25354003 [1,1,0,0,0,0|1,1,0]=4 1613 B9R0.47 CCOCC[C@H](C)C(O)=O Amb25791629 [1,1,0,0,0,0|1,1,0]=4 1614 B9R0.47 CCONCC(N)C(O)=O Amb25350611 [1,1,0,0,0,0|1,1,0]=4 1615 B9R0.47 CCSCCC(C(=O)O)C Amb10844082 [1,1,0,0,0,0|1,0,1]=4 1616 B9R0.47 CCSCCC(C(=O)O)N Amb2137050 [1,1,0,0,0,0|0,0,1]=3 1617 B9R0.47 CCSCCC(N)C(N)=O Amb18177774 [1,1,0,0,0,0|1,0,1]=4 1618 B9R0.47 CCSCCC(N)C(O)=O Amb22904200 [1,1,0,0,0,0|0,0,1]=3 1619 B9R0.47 CCSCCC(O)C(O)=O Amb24482157 [1,1,0,0,0,0|1,0,1]=4 1620 B9R0.47 CCSCC[C@@H](C(=O)O)N Amb17613844 [1,1,0,0,0,0|0,0,1]=3 1621 B9R0.47 CCSCC[C@H](C(=O)O)N Amb17613843 [1,1,0,0,0,0|0,0,1]=3 1622 B9R0.47 CC[Se]CCC(C(=O)O)N Amb17620056 [1,1,0,0,0,0|0,1,0]=3 1623 B9R0.47 CC\C=C\CC(N)C(O)=O Amb25255710 [1,1,0,0,0,0|1,0,1]=4 1624 B9R0.47 CC\C=C\C[C@H](N)C(O)=O Amb24617272 [1,1,0,0,0,0|1,0,1]=4 1625 B9R0.47 CNCCCC(C)C(O)=O Amb25313872 [1,1,0,0,0,0|2,0,0]=4 1626 B9R0.47 CNCCCC(N)C(O)=O Amb18644279 [1,1,0,0,0,0|1,0,0]=3 1627 B9R0.47 CNCCC[C@H](N)C(O)=O Amb24377155 [1,1,0,0,0,0|1,0,0]=3 1628 B9R0.47 CNCCOC(C)C(O)=O Amb18630742 [1,1,0,0,0,0|2,0,0]=4 1629 B9R0.47 CNCCSC(F)C(O)=O Amb24601985 [1,1,0,0,0,0|2,0,0]=4 1630 B9R0.47 CNOCCC(N)C(O)=O Amb24477008 [1,1,0,0,0,0|0,1,0]=3 1631 B9R0.47 COCCCC(N)C(C)=O Amb24628741 [1,1,0,0,0,0|1,1,0]=4 1632 B9R0.47 COCCCC(N)C(O)=O Amb20628315 [1,1,0,0,0,0|0,1,0]=3 1633 B9R0.47 COCCCC(N)C(O)=O Amb22058809 [1,1,0,0,0,0|0,1,0]=3 1634 B9R0.47 COCCC[C@@H](N)C(O)=O Amb25081508 [1,1,0,0,0,0|0,1,0]=3 1635 B9R0.47 COCCC[C@H](N)C(O)=O Amb25378737 [1,1,0,0,0,0|0,1,0]=3 1636 B9R0.47 COCCSC(F)C(O)=O Amb25342930 [1,1,0,0,0,0|1,1,0]=4 1637 B9R0.47 COCOC[C@@H](C)C(O)=O Amb24505310 [1,1,0,0,0,0|1,1,0]=4 1638 B9R0.47 COCSCC(N)C(O)=O Amb25287934 [1,1,0,0,0,0|0,1,0]=3 1639 B9R0.47 COCSC[C@@H](N)C(O)=O Amb25225221 [1,1,0,0,0,0|0,1,0]=3 1640 B9R0.47 COCSC[C@H](N)C(O)=O Amb25275942 [1,1,0,0,0,0|0,1,0]=3 1641 B9R0.47 CONCCC(N)C(O)=O Amb25311314 [1,1,0,0,0,0|0,1,0]=3 1642 B9R0.47 CSCCCC(C(=O)O)N Amb17594057 [1,1,0,0,0,0|0,0,1]=3 1643 B9R0.47 CSCCCC(O)C(O)=O Amb25169340 [1,1,0,0,0,0|1,0,1]=4 1644 B9R0.47 CSCCNC(C)C(O)=O Amb25805024 [1,1,0,0,0,0|1,0,1]=4 1645 B9R0.47 CSCCN[C@@H](C)C(O)=O Amb24554487 [1,1,0,0,0,0|1,0,1]=4 1646 B9R0.47 CSCCN[C@H](C)C(O)=O Amb25027967 [1,1,0,0,0,0|1,0,1]=4 1647 B9R0.47 CSCCOC(C)C(O)=O Amb24482366 [1,1,0,0,0,0|1,0,1]=4 1648 B9R0.47 CSCCOC(F)C(O)=O Amb25683225 [1,1,0,0,0,0|1,0,1]=4 1649 B9R0.47 CSCCO[C@@H](C)C(O)=O Amb25146944 [1,1,0,0,0,0|1,0,1]=4 1650 B9R0.47 CSCSC[C@@H](N)C(O)=O Amb25360905 [1,1,0,0,0,0|0,0,1]=3 1651 B9R0.47 CSSCC[C@H](N)C(O)=O Amb25111241 [1,1,0,0,0,0|0,0,1]=3 1652 B9R0.47 C\C=C/SC[C@H](N)C(O)=O Amb24602399 [1,1,0,0,0,0|1,0,1]=4 1653 B9R0.47 C\C=C\SCC(N)C(O)=O Amb24355928 [1,1,0,0,0,0|1,0,1]=4 1654 B9R0.47 NC(CCCC#N)C(O)=O Amb25242567 [1,1,0,0,0,0|1,0,1]=4 1655 B9R0.47 NC(CCCCBr)P(O)=O Amb25706143 [1,1,0,0,0,0|2,0,0]=4 1656 B9R0.47 NC(CCCCCl)C(O)=O Amb25141944 [1,1,0,0,0,0|1,0,0]=3 1657 B9R0.47 NC(CCCCS)C(O)=O Amb25363159 [1,1,0,0,0,0|1,0,0]=3 1658 B9R0.47 NC(CCCNO)C(O)=O Amb24722710 [1,1,0,0,0,0|2,0,0]=4 1659 B9R0.47 NC(CCC[13CH2][15NH2])C(O)=O Amb22351283 [1,1,0,0,0,0|1,0,0]=3 1660 B9R0.47 NC(CCNC=O)C(O)=O Amb24355941 [1,1,0,0,0,0|1,0,1]=4 1661 B9R0.47 NC(CCNCO)C(O)=O Amb25701616 [1,1,0,0,0,0|1,0,0]=3 1662 B9R0.47 NC(CCSCF)C(O)=O Amb24610565 [1,1,0,0,0,0|0,0,1]=3 1663 B9R0.47 NC(CNCCO)C(O)=O Amb25073329 [1,1,0,0,0,0|2,0,0]=4 1664 B9R0.47 NC(COCCCl)C(O)=O Amb18126477 [1,1,0,0,0,0|2,0,0]=4 1665 B9R0.47 NC(CSCCCl)C(O)=O Amb18129288 [1,1,0,0,0,0|2,0,0]=4 1666 B9R0.47 NC(CSCCF)C(O)=O Amb25054114 [1,1,0,0,0,0|2,0,0]=4 1667 B9R0.47 NC(C\C=C\CO)C(O)=O Amb25253501 [1,1,0,0,0,0|1,0,1]=4 1668 B9R0.47 NCC#CCC(N)C(O)=O Amb25369913 [1,1,0,0,0,0|1,0,1]=4 1669 B9R0.47 NCC#CC[C@@H](N)C(O)=O Amb24118079 [1,1,0,0,0,0|1,0,1]=4 1670 B9R0.47 NCC#CC[C@@H](N)C(O)=O Amb24611313 [1,1,0,0,0,0|1,0,1]=4 1671 B9R0.47 NCCCCC(C(=O)N)N Amb17593646 [1,1,0,0,0,0|2,0,0]=4 1672 B9R0.47 NCCCCC(Cl)C(O)=O Amb24540314 [1,1,0,0,0,0|2,0,0]=4 1673 B9R0.47 NCCCCC(F)C(O)=O Amb25147460 [1,1,0,0,0,0|2,0,0]=4 1674 B9R0.47 NCCCCC(N)C(=O)Cl Amb24678769 [1,1,0,0,0,0|2,0,0]=4 1675 B9R0.47 NCCCCC(N)C(O)=O Amb22349470 [1,1,0,0,0,0|1,0,0]=3 1676 B9R0.47 NCCCCC(N)C(O)=O Amb22489521 [1,1,0,0,0,0|1,0,0]=3 1677 B9R0.47 NCCCCC(N)P(O)=O Amb25337348 [1,1,0,0,0,0|2,0,0]=4 1678 B9R0.47 NCCCCC(N)[13C](O)=O Amb22338743 [1,1,0,0,0,0|1,0,0]=3 1679 B9R0.47 NCCCCC(O)C(O)=O Amb18644320 [1,1,0,0,0,0|2,0,0]=4 1680 B9R0.47 NCCCCC(S)C(O)=O Amb24652524 [1,1,0,0,0,0|2,0,0]=4 1681 B9R0.47 NCCCCC([15NH2])C(O)=O Amb22351358 [1,1,0,0,0,0|1,0,0]=3 1682 B9R0.47 NCCCC[13CH](N)C(O)=O Amb22351886 [1,1,0,0,0,0|1,0,0]=3 1683 B9R0.47 NCCCC[13CH](N)[13C](O)=O Amb22336528 [1,1,0,0,0,0|1,0,0]=3 1684 B9R0.47 NCCCC[C@@H](C(=O)O)C Amb10844513 [1,1,0,0,0,0|2,0,0]=4 1685 B9R0.47 NCCCC[C@@H](N)C(N)=O Amb22800869 [1,1,0,0,0,0|2,0,0]=4 1686 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22744766 [1,1,0,0,0,0|1,0,0]=3 1687 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22746247 [1,1,0,0,0,0|1,0,0]=3 1688 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22750565 [1,1,0,0,0,0|1,0,0]=3 1689 B9R0.47 NCCCC[C@H](C(=O)O)N Amb10072417 [1,1,0,0,0,0|1,0,0]=3 1690 B9R0.47 NCCCC[C@H](N)C(N)=O Amb25738519 [1,1,0,0,0,0|2,0,0]=4 1691 B9R0.47 NCCCC[C@H](O)C(O)=O Amb25303562 [1,1,0,0,0,0|2,0,0]=4 1692 B9R0.47 NCCCC[C@H]([15NH2])C(O)=O Amb22354049 [1,1,0,0,0,0|1,0,0]=3 1693 B9R0.47 NCCCO[C@H](N)C(O)=O Amb25111856 [1,1,0,0,0,0|2,0,0]=4 1694 B9R0.47 NCCCSC(N)C(O)=O Amb24443705 [1,1,0,0,0,0|2,0,0]=4 1695 B9R0.47 NCCNCC(N)C(O)=O Amb25032175 [1,1,0,0,0,0|2,0,0]=4 1696 B9R0.47 NCCNC[C@@H](N)C(O)=O Amb25147420 [1,1,0,0,0,0|2,0,0]=4 1697 B9R0.47 NCCNC[C@H](N)C(O)=O Amb24580529 [1,1,0,0,0,0|2,0,0]=4 1698 B9R0.47 NCCOC[C@@H](N)C(O)=O Amb22799590 [1,1,0,0,0,0|2,0,0]=4 1699 B9R0.47 NCCOC[C@@H](N)C(O)=O Amb25679129 [1,1,0,0,0,0|2,0,0]=4 1700 B9R0.47 NCCOC[C@H](N)C(O)=O Amb22231353 [1,1,0,0,0,0|2,0,0]=4 1701 B9R0.47 NCCSCC(N)C(O)=O Amb18126410 [1,1,0,0,0,0|2,0,0]=4 1702 B9R0.47 NCCSC[C@@H](N)C(O)=O Amb22800706 [1,1,0,0,0,0|2,0,0]=4 1703 B9R0.47 NCCSC[C@H](N)C(O)=O Amb22362775 [1,1,0,0,0,0|2,0,0]=4 1704 B9R0.47 NC\C=C\CC(N)C(O)=O Amb22800680 [1,1,0,0,0,0|1,0,1]=4 1705 B9R0.47 NC\C=C\C[C@H](N)C(O)=O Amb25339391 [1,1,0,0,0,0|1,0,1]=4 1706 B9R0.47 NNCCCC(N)C(O)=O Amb24378076 [1,1,0,0,0,0|2,0,0]=4 1707 B9R0.47 NNCCC[C@H](N)C(O)=O Amb24623157 [1,1,0,0,0,0|2,0,0]=4 1708 B9R0.47 NOCCCC(N)C(O)=O Amb24117962 [1,1,0,0,0,0|1,1,0]=4 1709 B9R0.47 N[13CH2]CCCC(N)C(O)=O Amb22367560 [1,1,0,0,0,0|1,0,0]=3 1710 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337497 [1,1,0,0,0,0|1,0,0]=3 1711 B9R0.47 N[14CH2][14CH2][14CH2][14CH2][14CH](N)[14C](O)=O Amb22349598 [1,1,0,0,0,0|1,0,0]=3 1712 B9R0.47 N[C@@H](C(=O)O)CSCC=C Amb10843878 [1,1,0,0,0,0|1,0,1]=4 1713 B9R0.47 N[C@@H](CC#CCO)C(O)=O Amb24479056 [1,1,0,0,0,0|1,0,1]=4 1714 B9R0.47 N[C@@H](CCCCO)C(O)=O Amb22900800 [1,1,0,0,0,0|1,0,0]=3 1715 B9R0.47 N[C@@H](CCCCS)C(O)=O Amb25729289 [1,1,0,0,0,0|1,0,0]=3 1716 B9R0.47 N[C@@H](CCCC[NH3+])C(O)=O Amb22801419 [1,1,0,0,0,0|1,0,0]=3 1717 B9R0.47 N[C@@H](CCCNO)C(O)=O Amb25075377 [1,1,0,0,0,0|2,0,0]=4 1718 B9R0.47 N[C@@H](CCNC#N)C(O)=O Amb24505130 [1,1,0,0,0,0|1,0,1]=4 1719 B9R0.47 N[C@@H](CCNC=O)C(O)=O Amb24692356 [1,1,0,0,0,0|1,0,1]=4 1720 B9R0.47 N[C@@H](CCNCO)C(O)=O Amb24760325 [1,1,0,0,0,0|1,0,0]=3 1721 B9R0.47 N[C@@H](CCSC#N)C(O)=O Amb24482177 [1,1,0,0,0,0|0,0,2]=4 1722 B9R0.47 N[C@@H](CCSN=O)C(O)=O Amb24665147 [1,1,0,0,0,0|1,0,1]=4 1723 B9R0.47 N[C@@H](CNCCO)C(O)=O Amb25146307 [1,1,0,0,0,0|2,0,0]=4 1724 B9R0.47 N[C@@H](COCCO)C(O)=O Amb24479093 [1,1,0,0,0,0|2,0,0]=4 1725 B9R0.47 N[C@@H](CSCC#C)C(O)=O Amb17935864 [1,1,0,0,0,0|1,0,1]=4 1726 B9R0.47 N[C@@H](CSCC#N)C(O)=O Amb18179968 [1,1,0,0,0,0|2,0,0]=4 1727 B9R0.47 N[C@H](CNCCO)C(O)=O Amb24617539 [1,1,0,0,0,0|2,0,0]=4 1728 B9R0.47 N[C@H](COCCCl)C(O)=O Amb24426914 [1,1,0,0,0,0|2,0,0]=4 1729 B9R0.47 N[C@H](CSCC#N)C(O)=O Amb25837533 [1,1,0,0,0,0|2,0,0]=4 1730 B9R0.47 O=CCCCC(C(=O)O)N Amb17619026 [1,1,0,0,0,0|1,0,1]=4 1731 B9R0.47 OC(=O)C(Br)CCCCBr Amb21964537 [1,1,0,0,0,0|2,0,0]=4 1732 B9R0.47 OC(=O)C(Cl)CCCCCl Amb24442431 [1,1,0,0,0,0|2,0,0]=4 1733 B9R0.47 OC(=O)C(F)CCCCF Amb24482414 [1,1,0,0,0,0|2,0,0]=4 1734 B9R0.47 OCCCCC(O)C(O)=O Amb18644356 [1,1,0,0,0,0|2,0,0]=4 1735 B9R0.47 OCCCC[C@H](O)C(O)=O Amb24480682 [1,1,0,0,0,0|2,0,0]=4 1736 B9R0.47 [15NH2]CCCCC([15NH2])C(O)=O Amb22363194 [1,1,0,0,0,0|1,0,0]=3 1737 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(O)=O Amb22353587 [1,1,0,0,0,0|1,0,0]=3 1738 B9R0.47 [2H][13CH2]SCC[C@H](N)C(O)=O Amb22337395 [1,1,0,0,0,0|0,0,1]=3 1739 B9R0.47 [N-]=[N+]=NCCC(N)C(O)=O Amb25766449 [1,1,0,0,0,0|2,0,0]=4 1740 B9R0.47 [N-]=[N+]=NCC[C@@H](C(=O)O)N Amb16183915 [1,1,0,0,0,0|2,0,0]=4 1741 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(O)=O Amb19130389 [1,1,0,0,0,0|2,0,0]=4 1742 B9R0.51 CC(C(=O)O)(CCCC)O Amb17593657 [1,1,0,0,0,0|2,0,0]=4 1743 B9R0.51 CC(N)(CCC=C)C(O)=O Amb24524526 [1,1,0,0,0,0|1,0,1]=4 1744 B9R0.51 CC(N)(CCCN)C(O)=O Amb18644277 [1,1,0,0,0,0|2,0,0]=4 1745 B9R0.51 CC(N)(CCCO)C(O)=O Amb24061058 [1,1,0,0,0,0|2,0,0]=4 1746 B9R0.51 CCCCC(C)(Cl)C(O)=O Amb24373145 [1,1,0,0,0,0|2,0,0]=4 1747 B9R0.51 CCCCC(C)(F)C(O)=O Amb24444856 [1,1,0,0,0,0|2,0,0]=4 1748 B9R0.51 CCCCC(C)(N)C(N)=O Amb25321316 [1,1,0,0,0,0|2,0,0]=4 1749 B9R0.51 CCCCC(F)(F)C(O)=O Amb19929267 [1,1,0,0,0,0|2,0,0]=4 1750 B9R0.51 CCCC[C@@](C)(F)C(O)=O Amb24622375 [1,1,0,0,0,0|2,0,0]=4 1751 B9R0.51 CCCC[C@@](C)(N)C(O)=O Amb19929613 [1,1,0,0,0,0|1,0,0]=3 1752 B9R0.51 CCSCC(C)(N)C(O)=O Amb18788224 [1,1,0,0,0,0|2,0,0]=4 1753 B9R0.51 CCSC[C@](C)(N)C(O)=O Amb24390760 [1,1,0,0,0,0|2,0,0]=4 1754 B9R0.51 COCCC(C)(C)C(O)=O Amb19029437 [1,1,0,0,0,0|1,1,0]=4 1755 B9R0.51 COCCC(C)(N)C(N)=O Amb24478104 [1,1,0,0,0,0|1,1,0]=4 1756 B9R0.51 COCCC(C)(N)C(O)=O Amb23580585 [1,1,0,0,0,0|0,1,0]=3 1757 B9R0.51 COCCC(C)(O)C(O)=O Amb23454643 [1,1,0,0,0,0|1,1,0]=4 1758 B9R0.51 COCC[C@@](C)(N)C(O)=O Amb24664972 [1,1,0,0,0,0|0,1,0]=3 1759 B9R0.51 CSCCC(C(=O)O)(C)C Amb10844081 [1,1,0,0,0,0|1,0,1]=4 1760 B9R0.51 CSCCC(C)(N)C(N)=O Amb18788148 [1,1,0,0,0,0|1,0,1]=4 1761 B9R0.51 CSCC[C@@](C)(N)C(O)=O Amb24482190 [1,1,0,0,0,0|0,0,1]=3 1762 B9R0.51 C[C@](N)(CCC=C)C(O)=O Amb24478852 [1,1,0,0,0,0|1,0,1]=4 1763 B9R0.51 C[C@](N)(CCCN)C(O)=O Amb24480786 [1,1,0,0,0,0|2,0,0]=4 1764 B9R0.51 C\C=C\C[C@@](C)(N)C(O)=O Amb25147509 [1,1,0,0,0,0|1,0,1]=4 1765 B9R0.51 NC(N)(CCCO)C(O)=O Amb25300624 [1,1,0,0,0,0|2,0,0]=4 1766 B9R0.51 [2H]C(N)(CCSC)C(O)=O Amb22367539 [1,1,0,0,0,0|0,0,1]=3 1767 B9R0.51 [2H]C([2H])(CCCC)C(O)=O Amb22338412 [1,1,0,0,0,0|2,0,0]=4 1768 B9R0.21 CC(C)(C)CCC(N)C=C Amb25362986 [1,1,0,0,0,0|2,0,0]=4 1769 B9R0.21 CC(C)(C)CCC(N)CO Amb18201750 [1,1,0,0,0,0|1,0,1]=4 1770 B9R0.21 CS(=O)(=O)CCC(N)C=O Amb24712026 [1,1,0,0,0,0|1,0,1]=4 1771 B9R0.21 CS(=O)(=O)CC[C@H](N)C=O Amb25808565 [1,1,0,0,0,0|1,0,1]=4 1772 B9R0.23 CC(C)CC(C)C(C)C=O Amb25733465 [1,1,0,0,0,0|2,0,0]=4 1773 B9R0.23 CC(C)CC(C)C(N)CO Amb25288264 [1,1,0,0,0,0|1,0,1]=4 1774 B9R0.23 CC(C)CC(O)C(C)C=O Amb24433287 [1,1,0,0,0,0|2,0,0]=4 1775 B9R0.23 CC(C)CC(O)C(N)CO Amb18831413 [1,1,0,0,0,0|1,0,1]=4 1776 B9R0.23 CC(C)C[C@@H](C)[C@H](N)CO Amb25077418 [1,1,0,0,0,0|1,0,1]=4 1777 B9R0.23 CC(C)C[C@H](O)[C@H](C)C=O Amb25352311 [1,1,0,0,0,0|2,0,0]=4 1778 B9R0.23 CC(C)C[C@H](O)[C@H](N)C=C Amb25287471 [1,1,0,0,0,0|2,0,0]=4 1779 B9R0.24 C\C=C(\C)/CCC(C)C=O Amb24697776 [1,1,0,0,0,0|2,0,0]=4 1780 B9R0.43 CC(C)CCC(C=O)OC Amb24496589 [1,1,0,0,0,0|2,0,0]=4 1781 B9R0.43 CN(C)CCC(C=C)NN Amb24454477 [1,1,0,0,0,0|2,0,0]=4 1782 B9R0.43 CNC(CO)CCN(C)C Amb25299372 [1,1,0,0,0,0|1,0,1]=4 1783 B9R0.48 CC(C)CCC(C)CC=O Amb24366723 [1,1,0,0,0,0|2,0,0]=4 1784 B9R0.48 CC(C)CCC(C)NC=O Amb25095296 [1,1,0,0,0,0|2,0,0]=4 1785 B9R0.48 CC(C)CCC(N)CCO Amb18831259 [1,1,0,0,0,0|1,0,1]=4 1786 B9R0.48 CC(CC=O)CCN(C)C Amb25174646 [1,1,0,0,0,0|2,0,0]=4 1787 B9R0.64 CC(C)CCC(C)(C)C=O Amb24746190 [1,1,0,0,0,0|2,0,0]=4 1788 B9R0.64 CC(C)CCC(C)(N)CO Amb19009003 [1,1,0,0,0,0|1,0,1]=4 1789 B9R0.64 CC(C)CCC(C)(O)C=O Amb25133387 [1,1,0,0,0,0|2,0,0]=4 1790 B9R0.1 CC(C)CCCC(=O)CBr Amb25243040 [1,1,0,0,0,0|2,0,0]=4 1791 B9R0.1 CC(C)CCCC(O)C=O Amb24479252 [1,1,0,0,0,0|1,0,1]=4 1792 B9R0.1 CC(C)CSCC(=O)NO Amb24380503 [1,1,0,0,0,0|2,0,0]=4 1793 B9R0.1 CC(CCCC(O)=O)C#N Amb18643710 [1,1,0,0,0,0|1,0,1]=4 1794 B9R0.1 CC(CCCC(O)=O)C=C Amb24716210 [1,1,0,0,0,0|1,0,1]=4 1795 B9R0.1 CC(CCCC(O)=O)CO Amb25068017 [1,1,0,0,0,0|1,0,0]=3 1796 B9R0.1 CC(CCCN(C)C)=NO Amb25287390 [1,1,0,0,0,0|2,0,0]=4 1797 B9R0.1 CC(CCl)CCCC(O)=O Amb18646189 [1,1,0,0,0,0|1,0,0]=3 1798 B9R0.1 CC(CN)CNCC(O)=O Amb25773527 [1,1,0,0,0,0|2,0,0]=4 1799 B9R0.1 CC(CN)NCCC(O)=O Amb24520910 [1,1,0,0,0,0|2,0,0]=4 1800 B9R0.1 CC(CN)OCCC(O)=O Amb18629690 [1,1,0,0,0,0|2,0,0]=4 1801 B9R0.1 CC(CO)NCCC(O)=O Amb17719769 [1,1,0,0,0,0|2,0,0]=4 1802 B9R0.1 CCC(C)CCCC(C)=O Amb24424926 [1,1,0,0,0,0|2,0,0]=4 1803 B9R0.1 CCC(C)CCCC(N)=O Amb24350177 [1,1,0,0,0,0|2,0,0]=4 1804 B9R0.1 CCC(C)CCCC(O)=O Amb18124682 [1,1,0,0,0,0|1,0,0]=3 1805 B9R0.1 CCC(C)CSCC(O)=O Amb18800668 [1,1,0,0,0,0|2,0,0]=4 1806 B9R0.1 CCC(O)CCCC(O)=O Amb18644263 [1,1,0,0,0,0|2,0,0]=4 1807 B9R0.1 CCS(=O)CCCC(O)=O Amb18788302 [1,1,0,0,0,0|1,0,1]=4 1808 B9R0.1 CC[C@H](C)CCCC(C)=O Amb25128211 [1,1,0,0,0,0|2,0,0]=4 1809 B9R0.1 CN(C)CCCC(N)=NO Amb20668517 [1,1,0,0,0,0|2,0,0]=4 1810 B9R0.1 CN(CCCC(O)=O)C=O Amb19010086 [1,1,0,0,0,0|1,0,1]=4 1811 B9R0.1 CNC(=O)CCCN(C)C Amb24696256 [1,1,0,0,0,0|2,0,0]=4 1812 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [1,1,0,0,0,0|2,0,0]=4 1813 B9R0.1 COC(=O)CCCC(C)Br Amb24346809 [1,1,0,0,0,0|2,0,0]=4 1814 B9R0.1 COC(=O)CCCC(C)C Amb22586581 [1,1,0,0,0,0|1,0,0]=3 1815 B9R0.1 COC(=O)CCCC(C)Cl Amb24626627 [1,1,0,0,0,0|2,0,0]=4 1816 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [1,1,0,0,0,0|2,0,0]=4 1817 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [1,1,0,0,0,0|1,0,1]=4 1818 B9R0.1 COC(=O)CCNN(C)C Amb24113609 [1,1,0,0,0,0|2,0,0]=4 1819 B9R0.1 COC(=O)CCSC(C)C Amb18800665 [1,1,0,0,0,0|2,0,0]=4 1820 B9R0.1 COC(=O)NCCC(C)C Amb17793051 [1,1,0,0,0,0|2,0,0]=4 1821 B9R0.1 COC(=O)NCCN(C)C Amb25229032 [1,1,0,0,0,0|2,0,0]=4 1822 B9R0.1 COC(=O)\C=C\C[S+](C)C Amb25313396 [1,1,0,0,0,0|0,0,2]=4 1823 B9R0.1 COC(C)CCCC(C)=O Amb25146522 [1,1,0,0,0,0|2,0,0]=4 1824 B9R0.1 COC(C)CCCC(O)=O Amb25728362 [1,1,0,0,0,0|1,0,0]=3 1825 B9R0.1 COC(C)CNCC(O)=O Amb25695493 [1,1,0,0,0,0|2,0,0]=4 1826 B9R0.1 CO[13C](=O)CCC[13C](=O)O Amb17618084 [1,1,0,0,0,0|2,0,0]=4 1827 B9R0.1 CO[13C](=O)CCC[13C](=O)[13CH3] Amb17617715 [1,1,0,0,0,0|2,0,0]=4 1828 B9R0.1 CSC(C)CCCC(O)=O Amb25265803 [1,1,0,0,0,0|1,0,0]=3 1829 B9R0.1 CSC(C)CNCC(O)=O Amb25137618 [1,1,0,0,0,0|2,0,0]=4 1830 B9R0.1 C[C@@H](CCCC(O)=O)C=C Amb24447465 [1,1,0,0,0,0|1,0,1]=4 1831 B9R0.1 C[C@H](CCCC(O)=O)C=C Amb25367325 [1,1,0,0,0,0|1,0,1]=4 1832 B9R0.1 C[C@H](CO)CCCC(C)=O Amb25335279 [1,1,0,0,0,0|2,0,0]=4 1833 B9R0.1 C\C(\CCCC(O)=O)=C\C Amb25063828 [1,1,0,0,0,0|1,0,0]=3 1834 B9R0.1 C\C(\CCCN(C)C)=N\O Amb24480641 [1,1,0,0,0,0|2,0,0]=4 1835 B9R0.1 C\C(\CNCC(O)=O)=C/C Amb24351586 [1,1,0,0,0,0|2,0,0]=4 1836 B9R0.1 C\C(\CNCC(O)=O)=C\C Amb25175094 [1,1,0,0,0,0|2,0,0]=4 1837 B9R0.1 C\C(\COCC(O)=O)=C\C Amb25293393 [1,1,0,0,0,0|2,0,0]=4 1838 B9R0.1 NC(CS)CCCC(O)=O Amb25706315 [1,1,0,0,0,0|2,0,0]=4 1839 B9R0.1 NCC(=O)CCCC(O)=O Amb18202122 [1,1,0,0,0,0|2,0,0]=4 1840 B9R0.1 NCC(=O)CCCC(O)=O Amb22035333 [1,1,0,0,0,0|2,0,0]=4 1841 B9R0.1 NCC(N)CCCC(O)=O Amb24375177 [1,1,0,0,0,0|2,0,0]=4 1842 B9R0.1 NC[C@@H](N)CCCC(O)=O Amb25147297 [1,1,0,0,0,0|2,0,0]=4 1843 B9R0.1 N[C@@H](CS)CCCC(O)=O Amb25288626 [1,1,0,0,0,0|2,0,0]=4 1844 B9R0.1 N[C@H](CS)CCCC(O)=O Amb24482180 [1,1,0,0,0,0|2,0,0]=4 1845 B9R0.1 O=NN(CCCC(=O)O)C Amb17618588 [1,1,0,0,0,0|2,0,0]=4 1846 B9R0.1 OC(=O)CCCC(Cl)CCl Amb18649051 [1,1,0,0,0,0|2,0,0]=4 1847 B9R0.53 CC(=C)CC(C)CC(O)=O Amb18643943 [1,1,0,0,0,0|1,0,1]=4 1848 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [1,1,0,0,0,0|2,0,0]=4 1849 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [1,1,0,0,0,0|2,0,0]=4 1850 B9R0.53 CC(C)=CC(C)CC(O)=O Amb24480766 [1,1,0,0,0,0|1,0,1]=4 1851 B9R0.53 CC(C)=CC(O)CC(O)=O Amb18644102 [1,1,0,0,0,0|1,0,1]=4 1852 B9R0.53 CC(C)=C[C@@H](O)CC(O)=O Amb24393168 [1,1,0,0,0,0|1,0,1]=4 1853 B9R0.53 CC(C)CC(=C)CC(O)=O Amb18643897 [1,1,0,0,0,0|1,0,1]=4 1854 B9R0.53 CC(C)CC(C)CC(C)=O Amb20621119 [1,1,0,0,0,0|2,0,0]=4 1855 B9R0.53 CC(C)CC(Cl)CC(=O)Cl Amb25241016 [1,1,0,0,0,0|2,0,0]=4 1856 B9R0.53 CC(C)CC(N)CC(N)=O Amb25785407 [1,1,0,0,0,0|2,0,0]=4 1857 B9R0.53 CC(C)CC(O)CC(C)=O Amb25054426 [1,1,0,0,0,0|2,0,0]=4 1858 B9R0.53 CC(C)CS(=O)CC(O)=O Amb18792576 [1,1,0,0,0,0|2,0,0]=4 1859 B9R0.53 CC(C)C[C@@H](C)CC(C)=O Amb24480437 [1,1,0,0,0,0|2,0,0]=4 1860 B9R0.53 CC(C)C[C@@H](C)CC(O)=O Amb24455134 [1,1,0,0,0,0|1,0,0]=3 1861 B9R0.53 CC(C)C[C@@H](O)CC(C)=O Amb24480617 [1,1,0,0,0,0|2,0,0]=4 1862 B9R0.53 CC(C)C[C@H](C)CC(C)=O Amb25707831 [1,1,0,0,0,0|2,0,0]=4 1863 B9R0.53 CC(C)C[C@H](N)CC(O)=O Amb19944305 [1,1,0,0,0,0|1,0,0]=3 1864 B9R0.53 CC(C)C[C@H](O)CC(O)=O Amb24505145 [1,1,0,0,0,0|1,0,0]=3 1865 B9R0.53 CC(C)O[C@H](C)CC(O)=O Amb24463494 [1,1,0,0,0,0|2,0,0]=4 1866 B9R0.53 CC(C)SC(C)CC(O)=O Amb18303284 [1,1,0,0,0,0|2,0,0]=4 1867 B9R0.53 CC(CC(CC(=O)O)N)C Amb2438867 [1,1,0,0,0,0|1,0,0]=3 1868 B9R0.53 CC(CC(CC(=O)O)O)C Amb17232005 [1,1,0,0,0,0|1,0,0]=3 1869 B9R0.53 CC(C[C@@H](CC(=O)O)C)C Amb10844383 [1,1,0,0,0,0|1,0,0]=3 1870 B9R0.53 CC(C[C@@H](CC(=O)O)N)C Amb16184017 [1,1,0,0,0,0|1,0,0]=3 1871 B9R0.53 CN(C)CC(N)CC(O)=O Amb18644281 [1,1,0,0,0,0|1,0,0]=3 1872 B9R0.53 CN(C)CC(O)CC(N)=O Amb24744547 [1,1,0,0,0,0|2,0,0]=4 1873 B9R0.53 CN(C)C[C@@H](O)CC(O)=O Amb25084529 [1,1,0,0,0,0|1,0,0]=3 1874 B9R0.53 CN(C[C@@H](CC(=O)O)O)C Amb10069803 [1,1,0,0,0,0|1,0,0]=3 1875 B9R0.53 CN(O)CC(O)CC(O)=O Amb24611959 [1,1,0,0,0,0|2,0,0]=4 1876 B9R0.53 CS(=O)CC(N)CC(O)=O Amb25766509 [1,1,0,0,0,0|1,0,1]=4 1877 B9R0.53 CS(=O)C[C@@H](N)CC(O)=O Amb25321945 [1,1,0,0,0,0|1,0,1]=4 1878 B9R0.53 C[C@H](N)C[C@H](N)CC(O)=O Amb24418565 [1,1,0,0,0,0|2,0,0]=4 1879 B9R0.56 CC(=O)CCCC(C)(C)Cl Amb25146588 [1,1,0,0,0,0|2,0,0]=4 1880 B9R0.56 CC(=O)CCCC(C)(C)F Amb25694464 [1,1,0,0,0,0|2,0,0]=4 1881 B9R0.56 CC(=O)CCCC(O)(C)C Amb17593627 [1,1,0,0,0,0|2,0,0]=4 1882 B9R0.56 CC(=O)CCC[N+](C)(C)C Amb25150329 [1,1,0,0,0,0|2,0,0]=4 1883 B9R0.56 CC(C)(C)CCCC(N)=O Amb25268901 [1,1,0,0,0,0|2,0,0]=4 1884 B9R0.56 CC(C)(C)CCCC(O)=O Amb18307485 [1,1,0,0,0,0|1,0,0]=3 1885 B9R0.56 CC(C)(C)CNCC(O)=O Amb19012829 [1,1,0,0,0,0|2,0,0]=4 1886 B9R0.56 CC(C)(C)COCC(O)=O Amb25079059 [1,1,0,0,0,0|2,0,0]=4 1887 B9R0.56 CC(C)(F)CCCC(O)=O Amb25270576 [1,1,0,0,0,0|1,0,0]=3 1888 B9R0.56 CC(C)(F)COCC(O)=O Amb25234238 [1,1,0,0,0,0|2,0,0]=4 1889 B9R0.56 CC(C)(F)CSCC(O)=O Amb24596449 [1,1,0,0,0,0|2,0,0]=4 1890 B9R0.56 CC(C)(N)CCCC(O)=O Amb25839402 [1,1,0,0,0,0|1,0,0]=3 1891 B9R0.56 CC(C)(N)CNCC(O)=O Amb24415937 [1,1,0,0,0,0|2,0,0]=4 1892 B9R0.56 CC(C)(N)COCC(O)=O Amb18630788 [1,1,0,0,0,0|2,0,0]=4 1893 B9R0.56 CC(C)(N)CSCC(O)=O Amb25831613 [1,1,0,0,0,0|2,0,0]=4 1894 B9R0.56 CC(C)(O)CCCC(O)=O Amb24340189 [1,1,0,0,0,0|1,0,0]=3 1895 B9R0.56 CC(C)(O)CNCC(O)=O Amb18304065 [1,1,0,0,0,0|2,0,0]=4 1896 B9R0.56 CC(C)(O)CSCC(O)=O Amb18307056 [1,1,0,0,0,0|2,0,0]=4 1897 B9R0.56 CN(C)(C)CCCC(O)=O Amb22732541 [1,1,0,0,0,0|1,0,0]=3 1898 B9R0.56 CP(C)(=O)CNCC(O)=O Amb25339632 [1,1,0,0,0,0|2,0,0]=4 1899 B9R0.56 CP(O)(=O)CCCC(O)=O Amb24524573 [1,1,0,0,0,0|2,0,0]=4 1900 B9R0.56 C[N+](C)(C)CCCC(N)=O Amb24365354 [1,1,0,0,0,0|2,0,0]=4 1901 B9R0.56 C[N+](C)(C)CCCC([O-])=O Amb22054610 [1,1,0,0,0,0|1,0,1]=4 1902 B9R0.56 C[N+](C)(C)NCCC(O)=O Amb22395996 [1,1,0,0,0,0|2,0,0]=4 1903 B9R0.56 C[Si](C)(C)CCCC(N)=O Amb24482275 [1,1,0,0,0,0|2,0,0]=4 1904 B9R0.56 C[Si](C)(C)CNCC(O)=O Amb24711223 [1,1,0,0,0,0|2,0,0]=4 1905 B9R0.56 C[Si](C)(C)CSCC(O)=O Amb25321941 [1,1,0,0,0,0|2,0,0]=4 1906 B9R0.56 C[Si](C)(C)NCCC(O)=O Amb24433951 [1,1,0,0,0,0|2,0,0]=4 1907 B9R0.56 OC(=O)CCCC(F)(F)C Amb17593778 [1,1,0,0,0,0|2,0,0]=4 1908 B9R0.56 OC(=O)CCCS(=O)(=O)C Amb17503668 [1,1,0,0,0,0|1,0,1]=4 1909 B9R0.56 OC(=O)CCNC(C)(C)C Amb1106324 [1,1,0,0,0,0|2,0,0]=4 1910 B9R0.10 CC(C)CC(N)S(O)(=O)=O Amb24390196 [0,1,0,0,1,0|2,0,0]=4 1911 B9R0.11 CC(C)CC(C)(N)C(N)=O Amb18288986 [0,1,0,0,1,0|2,0,0]=4 1912 B9R0.11 CC(C)CC(C)(O)C(O)=O Amb18523766 [0,1,0,0,1,0|2,0,0]=4 1913 B9R0.11 CC(C)CC(F)(F)C(O)=O Amb25773701 [0,1,0,0,1,0|2,0,0]=4 1914 B9R0.11 CC(C)C[C@@](C)(O)C(O)=O Amb25744207 [0,1,0,0,1,0|2,0,0]=4 1915 B9R0.11 CC(C)C[C@](C)(O)C(O)=O Amb24763710 [0,1,0,0,1,0|2,0,0]=4 1916 B9R0.11 CC(CC(C(=O)O)(C)C)C Amb10843993 [0,1,0,0,1,0|2,0,0]=4 1917 B9R0.11 CC(C[C@@](C(=O)O)(N)C)C Amb10066904 [0,1,0,0,1,0|1,0,0]=3 1918 B9R0.11 CN(C)CC(C)(N)C(N)=O Amb18292672 [0,1,0,0,1,0|2,0,0]=4 1919 B9R0.11 CN(C)CC(C)(N)C(O)=O Amb18294465 [0,1,0,0,1,0|1,0,0]=3 1920 B9R0.11 CN(C)CC(C)(O)C(O)=O Amb24480768 [0,1,0,0,1,0|2,0,0]=4 1921 B9R0.11 CN(C)CC(F)(F)C(O)=O Amb25857752 [0,1,0,0,1,0|2,0,0]=4 1922 B9R0.11 CN(C)C[C@](C)(O)C(O)=O Amb24460062 [0,1,0,0,1,0|2,0,0]=4 1923 B9R0.11 CN(CC(C(=O)O)(C)C)C Amb17334247 [0,1,0,0,1,0|2,0,0]=4 1924 B9R0.39 CC(=O)CC(NC)C(O)=O Amb25690263 [0,1,0,0,1,0|2,0,0]=4 1925 B9R0.39 CC(C)CC(C#N)C(O)=O Amb23558965 [0,1,0,0,1,0|1,0,1]=4 1926 B9R0.39 CC(C)CC(CC)C(O)=O Amb19014184 [0,1,0,0,1,0|2,0,0]=4 1927 B9R0.39 CC(C)CC(CF)C(O)=O Amb24596212 [0,1,0,0,1,0|2,0,0]=4 1928 B9R0.39 CC(C)CC(CN)C(N)=O Amb24333087 [0,1,0,0,1,0|2,0,0]=4 1929 B9R0.39 CC(C)CC(CN)C(O)=O Amb19021764 [0,1,0,0,1,0|1,0,0]=3 1930 B9R0.39 CC(C)CC(CO)C(O)=O Amb18124780 [0,1,0,0,1,0|2,0,0]=4 1931 B9R0.39 CC(C)CC(NC)C(N)=O Amb19006600 [0,1,0,0,1,0|2,0,0]=4 1932 B9R0.39 CC(C)CC(NC)C(O)=O Amb22274694 [0,1,0,0,1,0|1,0,0]=3 1933 B9R0.39 CC(C)CC(NN)C(O)=O Amb18644273 [0,1,0,0,1,0|1,0,0]=3 1934 B9R0.39 CC(C)CC(NO)C(N)=O Amb25294339 [0,1,0,0,1,0|2,0,0]=4 1935 B9R0.39 CC(C)CC(ON)C(O)=O Amb18644321 [0,1,0,0,1,0|1,0,0]=3 1936 B9R0.39 CC(C)C[C@@H](CN)C(O)=O Amb22756732 [0,1,0,0,1,0|1,0,0]=3 1937 B9R0.39 CC(C)C[C@@H](CN)C(O)=O Amb22756740 [0,1,0,0,1,0|1,0,0]=3 1938 B9R0.39 CC(C)C[C@@H](NC)C(O)=O Amb22745995 [0,1,0,0,1,0|1,0,0]=3 1939 B9R0.39 CC(C)C[C@H](CO)C(O)=O Amb25214140 [0,1,0,0,1,0|2,0,0]=4 1940 B9R0.39 CC(C)C[C@H](NC)C(N)=O Amb24550819 [0,1,0,0,1,0|2,0,0]=4 1941 B9R0.39 CC(C)C[C@H](NCl)C(O)=O Amb24563420 [0,1,0,0,1,0|1,0,0]=3 1942 B9R0.39 CC(C)C[C@H](ON)C(O)=O Amb24505012 [0,1,0,0,1,0|1,0,0]=3 1943 B9R0.39 CN(C)CC(CN)C(N)=O Amb24383057 [0,1,0,0,1,0|2,0,0]=4 1944 B9R0.39 CNC(CN(C)C)C(N)=O Amb24351287 [0,1,0,0,1,0|2,0,0]=4 1945 B9R0.39 CN[C@@H](C(=O)O)CC(C)C Amb10842218 [0,1,0,0,1,0|1,0,0]=3 1946 B9R0.39 CN[C@H](C(=O)O)CC(C)C Amb16183858 [0,1,0,0,1,0|1,0,0]=3 1947 B9R0.57 CC(C)(C)CC(Br)C(O)=O Amb25324184 [0,1,0,0,1,0|2,0,0]=4 1948 B9R0.57 CC(C)(C)CC(Cl)C(O)=O Amb25281140 [0,1,0,0,1,0|2,0,0]=4 1949 B9R0.57 CC(C)(C)CC(F)C(O)=O Amb25107249 [0,1,0,0,1,0|2,0,0]=4 1950 B9R0.57 CC(C)(C)CC(N)C(N)=O Amb19000296 [0,1,0,0,1,0|2,0,0]=4 1951 B9R0.57 CC(C)(C)CC(N)P(O)=O Amb24695250 [0,1,0,0,1,0|2,0,0]=4 1952 B9R0.57 CC(C)(C)CC(O)C(O)=O Amb18302187 [0,1,0,0,1,0|2,0,0]=4 1953 B9R0.57 CC(C)(C)C[C@@H](N)C(N)=O Amb24457334 [0,1,0,0,1,0|2,0,0]=4 1954 B9R0.57 CC(C)(C)C[C@@H](O)C(O)=O Amb22057813 [0,1,0,0,1,0|2,0,0]=4 1955 B9R0.57 CC(C)(C)C[C@H](O)C(O)=O Amb25727583 [0,1,0,0,1,0|2,0,0]=4 1956 B9R0.57 CC(C)(Cl)C[C@H](N)C(O)=O Amb24711368 [0,1,0,0,1,0|1,0,0]=3 1957 B9R0.57 CC(C)(F)C[C@@H](N)C(O)=O Amb24055873 [0,1,0,0,1,0|1,0,0]=3 1958 B9R0.57 CC(C)(N)CC(N)C(O)=O Amb25195464 [0,1,0,0,1,0|1,0,0]=3 1959 B9R0.57 CC(C)(O)CC(N)C(O)=O Amb18644326 [0,1,0,0,1,0|1,0,0]=3 1960 B9R0.57 CC(C)(O)C[C@@H](N)C(O)=O Amb24479570 [0,1,0,0,1,0|1,0,0]=3 1961 B9R0.57 CC(CC(C)(C)C)C(O)=O Amb18124693 [0,1,0,0,1,0|2,0,0]=4 1962 B9R0.57 CC(CC(C)(C)N)C(O)=O Amb22364426 [0,1,0,0,1,0|2,0,0]=4 1963 B9R0.57 CC(CC(C)(C)O)C(O)=O Amb24529313 [0,1,0,0,1,0|2,0,0]=4 1964 B9R0.57 CS(=N)(=O)CC(N)C(O)=O Amb24732321 [0,1,0,0,1,0|1,0,1]=4 1965 B9R0.57 C[N+](C)(C)CC(Br)C(O)=O Amb24079933 [0,1,0,0,1,0|2,0,0]=4 1966 B9R0.57 C[S@](=N)(=O)C[C@H](N)C(O)=O Amb25749061 [0,1,0,0,1,0|1,0,1]=4 1967 B9R0.57 C[Si](C)(C)C[C@H](N)C(O)=O Amb24482244 [0,1,0,0,1,0|1,0,0]=3 1968 B9R0.57 C[Si](C)(O)CC(N)C(O)=O Amb25060652 [0,1,0,0,1,0|1,0,0]=3 1969 B9R0.57 N[C@@H](C(=O)O)CC(C)(C)C Amb16184025 [0,1,0,0,1,0|1,0,0]=3 1970 B9R0.57 OC(=O)[C@H](C[C](=O)(O)C)N Amb10604178 [0,1,0,0,1,0|2,0,0]=4 1971 B9R0.79 CC(=O)C(C)C(N)C(O)=O Amb18202116 [0,1,0,0,1,0|2,0,0]=4 1972 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(O)=O Amb25703453 [0,1,0,0,1,0|2,0,0]=4 1973 B9R0.79 CC(C(O)C(O)=O)N(C)C Amb25274735 [0,1,0,0,1,0|2,0,0]=4 1974 B9R0.79 CC(C)C(C)C(C)C(O)=O Amb18124692 [0,1,0,0,1,0|2,0,0]=4 1975 B9R0.79 CC(C)C(C)C(F)C(O)=O Amb25853148 [0,1,0,0,1,0|2,0,0]=4 1976 B9R0.79 CC(C)C(Cl)C(N)C(O)=O Amb25779528 [0,1,0,0,1,0|1,0,0]=3 1977 B9R0.79 CC(C)C(O)C(Br)C(O)=O Amb25313138 [0,1,0,0,1,0|2,0,0]=4 1978 B9R0.79 CC(C)C(O)C(C)C(O)=O Amb18990636 [0,1,0,0,1,0|2,0,0]=4 1979 B9R0.79 CC(C)C(O)C(Cl)C(O)=O Amb25275308 [0,1,0,0,1,0|2,0,0]=4 1980 B9R0.79 CC(C)C(O)C(N)C(O)=O Amb23399656 [0,1,0,0,1,0|1,0,0]=3 1981 B9R0.79 CC(C)C(O)[C@@H](N)C(O)=O Amb19130451 [0,1,0,0,1,0|1,0,0]=3 1982 B9R0.79 CC(C)C(O)[C@H](N)C(O)=O Amb24509492 [0,1,0,0,1,0|1,0,0]=3 1983 B9R0.79 CC(C)[C@@H](C)[C@@H](N)C(O)=O Amb24670804 [0,1,0,0,1,0|1,0,0]=3 1984 B9R0.79 CC(C)[C@@H](C)[C@H](N)C(O)=O Amb25061907 [0,1,0,0,1,0|1,0,0]=3 1985 B9R0.79 CC(C)[C@@H](C)[C@H](O)C(O)=O Amb24447350 [0,1,0,0,1,0|2,0,0]=4 1986 B9R0.79 CC(C)[C@@H](F)[C@@H](N)C(O)=O Amb22802115 [0,1,0,0,1,0|1,0,0]=3 1987 B9R0.79 CC(C)[C@@H](N)C(O)C(O)=O Amb25258947 [0,1,0,0,1,0|2,0,0]=4 1988 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(O)=O Amb22224932 [0,1,0,0,1,0|1,0,0]=3 1989 B9R0.79 CC(C)[C@@H](O)[C@@H](O)C(O)=O Amb25222321 [0,1,0,0,1,0|2,0,0]=4 1990 B9R0.79 CC(C)[C@@H](O)[C@H](O)C(O)=O Amb24550312 [0,1,0,0,1,0|2,0,0]=4 1991 B9R0.79 CC(C)[C@@H](S)[C@H](N)C(O)=O Amb25302326 [0,1,0,0,1,0|1,0,0]=3 1992 B9R0.79 CC(C)[C@H](C)[C@@H](N)C(O)=O Amb25147401 [0,1,0,0,1,0|1,0,0]=3 1993 B9R0.79 CC(C)[C@H](C)[C@H](O)C(O)=O Amb24548143 [0,1,0,0,1,0|2,0,0]=4 1994 B9R0.79 CC(C)[C@H](N)C(O)C(O)=O Amb24744520 [0,1,0,0,1,0|2,0,0]=4 1995 B9R0.79 CC(C)[C@H](N)[C@@H](F)C(O)=O Amb24629885 [0,1,0,0,1,0|2,0,0]=4 1996 B9R0.79 CC(C)[C@H](N)[C@@H](O)C(O)=O Amb24428177 [0,1,0,0,1,0|2,0,0]=4 1997 B9R0.79 CC(C)[C@H](N)[C@H](O)C(O)=O Amb25147282 [0,1,0,0,1,0|2,0,0]=4 1998 B9R0.79 CC(C)[C@H](O)[C@@H](Br)C(O)=O Amb24598278 [0,1,0,0,1,0|2,0,0]=4 1999 B9R0.79 CC(O)C(C)C(N)C(O)=O Amb21953714 [0,1,0,0,1,0|2,0,0]=4 2000 B9R0.79 CC(O)C(C)[C@@H](N)C(O)=O Amb22800202 [0,1,0,0,1,0|2,0,0]=4 2001 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(O)=O Amb24052812 [0,1,0,0,1,0|2,0,0]=4 2002 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)C)O Amb10603785 [0,1,0,0,1,0|2,0,0]=4 2003 B9R0.79 CC([C@@H]([C@H](C(=O)O)C)O)C Amb10844253 [0,1,0,0,1,0|2,0,0]=4 2004 B9R0.79 CC([C@@H]([C@H](C(=O)O)N)O)C Amb10807407 [0,1,0,0,1,0|1,0,0]=3 2005 B9R0.79 C[C@@H](O)C(O)[C@H](N)C(O)=O Amb24435507 [0,1,0,0,1,0|2,0,0]=4 2006 B9R0.79 C[C@@H](O)[C@@H](C)[C@@H](N)C(O)=O Amb25693814 [0,1,0,0,1,0|2,0,0]=4 2007 B9R0.79 C[C@@H](O)[C@@H](C)[C@H](N)C(O)=O Amb24340188 [0,1,0,0,1,0|2,0,0]=4 2008 B9R0.79 C[C@@H]([C@H](O)C(O)=O)N(C)C Amb24480709 [0,1,0,0,1,0|2,0,0]=4 2009 B9R0.79 C[C@H](O)C(C)[C@H](N)C(O)=O Amb22735316 [0,1,0,0,1,0|2,0,0]=4 2010 B9R0.79 C[C@H]([C@@H]([C@@H](C(=O)O)N)C)O Amb17615448 [0,1,0,0,1,0|2,0,0]=4 2011 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(C)Cl Amb25363328 [0,1,0,0,1,0|2,0,0]=4 2012 B11R0.107 CCC(C)CCC(C)CC(O)=O Amb22229103 [0,1,0,0,0,1|2,0,0]=4 2013 B11R0.149 CC(C)C[C@@H](N)[C@H](O)CC(O)=O Amb22800830 [0,1,0,0,0,1|2,0,0]=4 2014 B11R0.109 COC(=O)CCC[C@@H](C(=O)O)N Amb13884888 [0,1,0,0,0,1|2,0,0]=4 2015 B11R0.109 COC(=O)CCC[C@@H](N)C(O)=O Amb23437884 [0,1,0,0,0,1|2,0,0]=4 2016 B11R0.145 COC(=O)C(NCCC(C)C)C Amb10604268 [0,1,0,0,0,1|2,0,0]=4 2017 B11R0.202 CC(CCSC(C(=O)O)(C)C)C Amb17501490 [0,1,0,0,0,1|2,0,0]=4 2018 B11R0.273 CCC(C(=O)O)SCCC(C)C Amb17501350 [0,1,0,0,0,1|2,0,0]=4 2019 B11R0.318 CC(C)(C)C#CCC(N)C(O)=O Amb24640918 [0,1,0,0,0,1|1,0,1]=4 2020 B11R0.318 CC(C)(C)C#CC[C@@H](N)C(O)=O Amb24628421 [0,1,0,0,0,1|1,0,1]=4 2021 B11R0.318 CC(C)(C)SSC[C@@H](N)C(O)=O Amb22800437 [0,1,0,0,0,1|2,0,0]=4 2022 B11R0.318 N[C@H](C(=O)O)CSSC(C)(C)C Amb16183935 [0,1,0,0,0,1|2,0,0]=4 2023 B11R0.168 CC(C)(C)C(=O)CC(N)C(O)=O Amb22157257 [0,2,0,0,0,0|1,0,1]=4 2024 B11R0.168 CC(C)(C)C(=O)CC(N)C(O)=O Amb22546325 [0,2,0,0,0,0|1,0,1]=4 2025 B11R0.63 CC(C)CC(=O)C(N)C(=O)OC Amb22491836 [0,2,0,0,0,0|1,0,1]=4 2026 B11R0.63 COC(=O)C(C(=O)CC(C)C)N Amb16233997 [0,2,0,0,0,0|1,0,1]=4 2027 B11R0.308 C[C@@H]([C@@H](C(=O)O)N)OC(C)(C)C Amb16183979 [0,2,0,0,0,0|2,0,0]=4 2028 B11R0.308 C[C@H](OC(C)(C)C)[C@@H](N)C(O)=O Amb22169616 [0,2,0,0,0,0|2,0,0]=4 2029 B11R0.308 C[C@H]([C@@H](C(=O)O)N)OC(C)(C)C Amb10608387 [0,2,0,0,0,0|2,0,0]=4 2030 B11R0.308 C[N+](C)(C)C[C@H](O)[C@@H](N)C([O-])=O Amb24056030 [0,2,0,0,0,0|1,0,1]=4 2031 B11R0.288 COC(=O)C(C)(N)CCC(C)C Amb18794900 [0,2,0,0,0,0|1,0,0]=3 2032 B11R0.371 CCC(C(=O)O)(CCC(C)C)C Amb16232095 [0,2,0,0,0,0|2,0,0]=4 2033 B11R0.118 CC(C)OCC(NC)C(=O)OC Amb18790577 [0,2,0,0,0,0|2,0,0]=4 2034 B11R0.118 CC(C)OCC(NC)C(=O)OC Amb20668174 [0,2,0,0,0,0|2,0,0]=4 2035 B11R0.120 COC(=O)CC[C@H](C(=O)OC)N Amb16183941 [0,2,0,0,0,0|2,0,0]=4 2036 B11R0.120 COC(=O)[C@H](N)CCC(=O)OC Amb22230568 [0,2,0,0,0,0|2,0,0]=4 2037 B11R0.290 COC(=O)[C@H](COC(C)(C)C)N Amb16183836 [0,2,0,0,0,0|2,0,0]=4 2038 B11R0.21 CCN(CCC(N)C(N)=O)CC Amb18790197 [0,2,0,0,0,0|2,0,0]=4 2039 B11R0.141 CCNC(=O)CC[C@@H](N)C(O)=O Amb19134042 [0,2,0,0,0,0|2,0,0]=4 2040 B11R0.141 CCOC(=O)CC[C@@H](N)C(O)=O Amb22745269 [0,2,0,0,0,0|2,0,0]=4 2041 B11R0.302 CCC(C)(C)SC[C@@H](N)C(O)=O Amb22750563 [0,2,0,0,0,0|2,0,0]=4 2042 B11R0.313 CN[C@@H](COC(C)(C)C)C(O)=O Amb22745352 [0,2,0,0,0,0|2,0,0]=4 2043 B9R1.5 NC1CCCCCC1=O Amb18276126 [1,0,0,1,0,0|2,0,0]=4 2044 B9R1.5 NC1CCCCNC1=O Amb19958477 [1,0,0,1,0,0|2,0,0]=4 2045 B9R1.5 N[C@@H]1CCCCNC1=O Amb20670688 [1,0,0,1,0,0|2,0,0]=4 2046 B9R1.5 N[C@H]1CCCCNC1=O Amb19929579 [1,0,0,1,0,0|2,0,0]=4 2047 B9R1.5 O=C1NCCCC[C@H]1N Amb10608775 [1,0,0,1,0,0|2,0,0]=4 2048 B9R1.5 O=C1OCCCCC1Br Amb24725884 [1,0,0,1,0,0|2,0,0]=4 2049 B9R1.6 CC(=O)C1CCCCN1 Amb21962174 [1,0,0,1,0,0|2,0,0]=4 2050 B9R1.6 CC(=O)[C@H]1CCCCN1 Amb25072730 [1,0,0,1,0,0|2,0,0]=4 2051 B9R1.6 NC(=O)C1CCCCN1 Amb2370929 [1,0,0,1,0,0|2,0,0]=4 2052 B9R1.6 NC(=O)C1CCSCN1 Amb25264861 [1,0,0,1,0,0|1,0,1]=4 2053 B9R1.6 NC(=O)[C@@H]1CCCCN1 Amb25315367 [1,0,0,1,0,0|2,0,0]=4 2054 B9R1.6 O=C(Cl)C1CCCCN1 Amb24061326 [1,0,0,1,0,0|2,0,0]=4 2055 B9R1.6 O=C(Cl)[C@@H]1CCCCN1 Amb24548250 [1,0,0,1,0,0|2,0,0]=4 2056 B9R1.6 O=C(Cl)[C@H]1CCCCN1 Amb24560223 [1,0,0,1,0,0|2,0,0]=4 2057 B9R1.6 OC(=O)C1CCC=CN1 Amb24640071 [1,0,0,1,0,0|1,0,1]=4 2058 B9R1.6 OC(=O)C1CCCCS1 Amb18202314 [1,0,0,1,0,0|2,0,0]=4 2059 B9R1.6 OC(=O)C1CCSCN1 Amb1102215 [1,0,0,1,0,0|0,0,1]=3 2060 B9R1.6 OC(=O)C1CCSCN1 Amb22284134 [1,0,0,1,0,0|0,0,1]=3 2061 B9R1.6 OC(=O)C1CNCCN1 Amb22490901 [1,0,0,1,0,0|2,0,0]=4 2062 B9R1.6 OC(=O)C1CNCCN1 Amb22490977 [1,0,0,1,0,0|2,0,0]=4 2063 B9R1.6 OC(=O)C1COCCN1 Amb10607157 [1,0,0,1,0,0|2,0,0]=4 2064 B9R1.6 OC(=O)C1CSCCN1 Amb19888398 [1,0,0,1,0,0|2,0,0]=4 2065 B9R1.6 OC(=O)C1NCCCS1 Amb22899084 [1,0,0,1,0,0|2,0,0]=4 2066 B9R1.6 OC(=O)[C@@H]1CCC=CN1 Amb19888332 [1,0,0,1,0,0|1,0,1]=4 2067 B9R1.6 OC(=O)[C@@H]1CCCCO1 Amb22746821 [1,0,0,1,0,0|2,0,0]=4 2068 B9R1.6 OC(=O)[C@@H]1CCCNN1 Amb22747164 [1,0,0,1,0,0|2,0,0]=4 2069 B9R1.6 OC(=O)[C@@H]1CCSCN1 Amb24465168 [1,0,0,1,0,0|0,0,1]=3 2070 B9R1.6 OC(=O)[C@@H]1CNCCN1 Amb22748956 [1,0,0,1,0,0|2,0,0]=4 2071 B9R1.6 OC(=O)[C@@H]1COCCN1 Amb10576585 [1,0,0,1,0,0|2,0,0]=4 2072 B9R1.6 OC(=O)[C@@H]1CSCCN1 Amb22386830 [1,0,0,1,0,0|2,0,0]=4 2073 B9R1.6 OC(=O)[C@H]1CC=CCN1 Amb25757299 [1,0,0,1,0,0|1,0,1]=4 2074 B9R1.6 OC(=O)[C@H]1CCSCN1 Amb25773953 [1,0,0,1,0,0|0,0,1]=3 2075 B9R1.6 OC(=O)[C@H]1CNCCN1 Amb20241207 [1,0,0,1,0,0|2,0,0]=4 2076 B9R1.6 OC(=O)[C@H]1COCCN1 Amb16232575 [1,0,0,1,0,0|2,0,0]=4 2077 B9R1.6 O[13C](=O)C1CCCCN1 Amb22363349 [1,0,0,1,0,0|1,0,0]=3 2078 B9R1.23 CCC1CC(Br)C(=O)O1 Amb25839843 [1,0,0,1,0,0|2,0,0]=4 2079 B9R1.23 CC[C@@H]1C[C@H](N)C(=O)O1 Amb25163624 [1,0,0,1,0,0|1,0,0]=3 2080 B9R1.23 NC1CC(CO)OC1=O Amb18642829 [1,0,0,1,0,0|2,0,0]=4 2081 B9R1.23 N[C@@H]1C[C@@H](CO)OC1=O Amb25327262 [1,0,0,1,0,0|2,0,0]=4 2082 B9R1.23 N[C@H]1CC(CO)OC1=O Amb25771995 [1,0,0,1,0,0|2,0,0]=4 2083 B9R1.23 N[C@H]1C[C@H](CO)OC1=O Amb24567157 [1,0,0,1,0,0|2,0,0]=4 2084 B9R1.35 CC1CC(CC1)C(O)=O Amb18642624 [1,0,0,1,0,0|2,0,0]=4 2085 B9R1.35 CC1CCC(N1)C(N)=O Amb18642667 [1,0,0,1,0,0|2,0,0]=4 2086 B9R1.35 CC1CCC(N1)C(O)=O Amb18832572 [1,0,0,1,0,0|1,0,0]=3 2087 B9R1.35 CC1CCC(O1)C(=O)O Amb17593370 [1,0,0,1,0,0|2,0,0]=4 2088 B9R1.35 CC1CCC(S1)C(O)=O Amb25719281 [1,0,0,1,0,0|2,0,0]=4 2089 B9R1.35 CC1CCC([NH2+]1)C(O)=O Amb22372047 [1,0,0,1,0,0|1,0,1]=4 2090 B9R1.35 CC1CC[C@@H](N1)C(O)=O Amb22748252 [1,0,0,1,0,0|1,0,0]=3 2091 B9R1.35 CC1CC[C@H](N1)C(N)=O Amb24696154 [1,0,0,1,0,0|2,0,0]=4 2092 B9R1.35 CC1N[C@@H](CS1)C(=O)O Amb16203706 [1,0,0,1,0,0|2,0,0]=4 2093 B9R1.35 CC=1CCC(N1)C(O)=O Amb23438203 [1,0,0,1,0,0|1,0,1]=4 2094 B9R1.35 CC=1CCC([NH+]1)C(O)=O Amb22372048 [1,0,0,1,0,0|1,0,1]=4 2095 B9R1.35 CC=1NC(CN1)C(O)=O Amb24599993 [1,0,0,1,0,0|2,0,0]=4 2096 B9R1.35 CN1CCC(N1)C(O)=O Amb25854311 [1,0,0,1,0,0|1,0,0]=3 2097 B9R1.35 CN1C[C@@H](CC1)C(O)=O Amb22746030 [1,0,0,1,0,0|2,0,0]=4 2098 B9R1.35 CN1C[C@@H](CC1)C(O)=O Amb22756448 [1,0,0,1,0,0|2,0,0]=4 2099 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O Amb10843961 [1,0,0,1,0,0|2,0,0]=4 2100 B9R1.35 C[C@@H]1CC[C@@H](N1)C(N)=O Amb24572556 [1,0,0,1,0,0|2,0,0]=4 2101 B9R1.35 C[C@@H]1CC[C@@H](N1)C(O)=O Amb24399449 [1,0,0,1,0,0|1,0,0]=3 2102 B9R1.35 C[C@@H]1CC[C@@H](O1)C(O)=O Amb22886534 [1,0,0,1,0,0|2,0,0]=4 2103 B9R1.35 C[C@@H]1N[C@H](CS1)C(O)=O Amb25294278 [1,0,0,1,0,0|2,0,0]=4 2104 B9R1.35 C[C@H]1CC[C@@H](N1)C(O)=O Amb25260830 [1,0,0,1,0,0|1,0,0]=3 2105 B9R1.35 C[C@H]1CC[C@H](C1)C(=O)O Amb10843955 [1,0,0,1,0,0|2,0,0]=4 2106 B9R1.35 C[C@H]1CC[C@H](N1)C(O)=O Amb24598417 [1,0,0,1,0,0|1,0,0]=3 2107 B9R1.35 C[C@H]1CC[C@H](O1)C(O)=O Amb24651587 [1,0,0,1,0,0|2,0,0]=4 2108 B9R1.35 C[C@H]1N[C@@H](CS1)C(O)=O Amb25347352 [1,0,0,1,0,0|2,0,0]=4 2109 B9R1.35 N=C1CCC(N1)C(O)=O Amb18642592 [1,0,0,1,0,0|2,0,0]=4 2110 B9R1.35 O=C1CC[C@H](N1)C(=O)O Amb1995036 [1,0,0,1,0,0|2,0,0]=4 2111 B9R1.35 OC(=O)C1CCC(=O)N1 Amb22282321 [1,0,0,1,0,0|2,0,0]=4 2112 B9R1.35 OC(=O)C1CCC(=S)N1 Amb24477679 [1,0,0,1,0,0|2,0,0]=4 2113 B9R1.35 OC(=O)C1CCC(F)N1 Amb24423850 [1,0,0,1,0,0|2,0,0]=4 2114 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 Amb24099403 [1,0,0,1,0,0|2,0,0]=4 2115 B9R1.35 OC(=O)[C@@H]1CCC(F)N1 Amb25032254 [1,0,0,1,0,0|2,0,0]=4 2116 B9R1.35 O[C@@H]1CC[C@H](N1)C(O)=O Amb24515622 [1,0,0,1,0,0|2,0,0]=4 2117 B9R1.39 COCCC1NCC1=O Amb24481968 [1,0,0,1,0,0|1,1,0]=4 2118 B9R1.45 C=C1CC1C(N)C(O)=O Amb24117258 [1,0,0,1,0,0|1,0,1]=4 2119 B9R1.45 CC(C1CC1C)C(O)=O Amb25708709 [1,0,0,1,0,0|2,0,0]=4 2120 B9R1.45 NC([C@H]1C[C@@H]1N)C(O)=O Amb25245366 [1,0,0,1,0,0|2,0,0]=4 2121 B9R1.59 CCCC1CC1C(O)=O Amb19001459 [1,0,0,1,0,0|2,0,0]=4 2122 B9R1.59 CCCC1OC1C(O)=O Amb24561183 [1,0,0,1,0,0|2,0,0]=4 2123 B9R1.59 CCC[C@@H]1C[C@H]1C(O)=O Amb25368727 [1,0,0,1,0,0|2,0,0]=4 2124 B9R1.59 CNC[C@@H]1C[C@H]1C(O)=O Amb24744378 [1,0,0,1,0,0|2,0,0]=4 2125 B9R1.69 C=C1CC[C@@H](N)C(=O)O1 Amb24426847 [1,0,0,1,0,0|1,0,1]=4 2126 B9R1.69 CC1CC(=O)C(N)CC1 Amb25291675 [1,0,0,1,0,0|2,0,0]=4 2127 B9R1.69 CC1CCC(N)C(=O)O1 Amb24563967 [1,0,0,1,0,0|1,0,0]=3 2128 B9R1.69 C[C@H]1CCC(N)C(=O)N1 Amb25378397 [1,0,0,1,0,0|2,0,0]=4 2129 B9R1.69 N[C@H]1CCC(=O)OC1=O Amb24680533 [1,0,0,1,0,0|2,0,0]=4 2130 B9R1.93 C#CC1CC1(N)C(O)=O Amb23456002 [1,0,0,1,0,0|1,0,1]=4 2131 B9R1.93 C=C[C@@H]1C[C@]1(N)C(O)=O Amb22744970 [1,0,0,1,0,0|1,0,1]=4 2132 B9R1.93 C=C[C@H]1C[C@]1(N)C(O)=O Amb25105090 [1,0,0,1,0,0|1,0,1]=4 2133 B9R1.93 CCC1CC1(N)C(O)=O Amb24655862 [1,0,0,1,0,0|1,0,0]=3 2134 B9R1.93 CC[C@@H]1CC1(N)C(O)=O Amb25104706 [1,0,0,1,0,0|1,0,0]=3 2135 B9R1.93 CC[C@@H]1C[C@@]1(N)C(O)=O Amb23452849 [1,0,0,1,0,0|1,0,0]=3 2136 B9R1.93 CC[C@@H]1C[C@@]1(O)C(O)=O Amb25377855 [1,0,0,1,0,0|2,0,0]=4 2137 B9R1.93 CC[C@@H]1C[C@]1(N)C(O)=O Amb23452884 [1,0,0,1,0,0|1,0,0]=3 2138 B9R1.93 NC1(CC1C=C)C(=O)O Amb10068409 [1,0,0,1,0,0|1,0,1]=4 2139 B9R1.93 NC1(CC1CO)C(O)=O Amb25828351 [1,0,0,1,0,0|2,0,0]=4 2140 B9R1.93 NC[C@@H]1C[C@@]1(N)C(O)=O Amb24763621 [1,0,0,1,0,0|2,0,0]=4 2141 B9R1.93 N[C@@]1(C[C@H]1CO)C(O)=O Amb25101898 [1,0,0,1,0,0|2,0,0]=4 2142 B9R1.93 N[C@]1(C[C@@H]1CO)C(O)=O Amb24581240 [1,0,0,1,0,0|2,0,0]=4 2143 B9R1.95 CCC1CC(C1)C(O)=O Amb23456004 [1,0,0,1,0,0|2,0,0]=4 2144 B9R1.95 CC[C@@H]1C[C@@H](C1)C(O)=O Amb25129624 [1,0,0,1,0,0|2,0,0]=4 2145 B9R1.95 CNC1CC(C1)C(O)=O Amb20622656 [1,0,0,1,0,0|2,0,0]=4 2146 B9R1.95 CO[C@@H]1C[C@@H](C1)C(O)=O Amb23440276 [1,0,0,1,0,0|1,1,0]=4 2147 B9R1.95 CO[C@@H]1C[C@H](C1)C(O)=O Amb23440277 [1,0,0,1,0,0|1,1,0]=4 2148 B9R1.95 OC[C@@H]1C[C@@H](N1)C(O)=O Amb24556421 [1,0,0,1,0,0|2,0,0]=4 2149 B9R1.110 CC(=O)C(N)C1CCC1 Amb25062195 [1,0,0,1,0,0|2,0,0]=4 2150 B9R1.110 CC(C(=O)O)C1CCC1 Amb17087517 [1,0,0,1,0,0|2,0,0]=4 2151 B9R1.110 CC(C1CSC1)C(O)=O Amb25200790 [1,0,0,1,0,0|1,0,1]=4 2152 B9R1.110 C[C@@H](C1CCC1)C(O)=O Amb22748271 [1,0,0,1,0,0|2,0,0]=4 2153 B9R1.110 C[C@H](C1CCC1)C(O)=O Amb24360449 [1,0,0,1,0,0|2,0,0]=4 2154 B9R1.110 NC(C1CCC1)C(O)=O Amb19149365 [1,0,0,1,0,0|1,0,0]=3 2155 B9R1.110 NC(C1CCC1)C(O)=O Amb21858491 [1,0,0,1,0,0|1,0,0]=3 2156 B9R1.110 NC(C1CCC1)P(O)=O Amb25721258 [1,0,0,1,0,0|2,0,0]=4 2157 B9R1.110 NC(C1COC1)C(O)=O Amb22405987 [1,0,0,1,0,0|0,1,0]=3 2158 B9R1.110 NC(C1CSC1)C(N)=O Amb25287406 [1,0,0,1,0,0|1,0,1]=4 2159 B9R1.110 N[C@@H](C1CCC1)C(N)=O Amb24476623 [1,0,0,1,0,0|2,0,0]=4 2160 B9R1.110 N[C@@H](C1COC1)C(O)=O Amb22737551 [1,0,0,1,0,0|0,1,0]=3 2161 B9R1.110 N[C@H](C1COC1)C(O)=O Amb22737550 [1,0,0,1,0,0|0,1,0]=3 2162 B9R1.110 OC(=O)C(F)C1CNC1 Amb25110697 [1,0,0,1,0,0|2,0,0]=4 2163 B9R1.110 OC(C1CCC1)C(O)=O Amb24426901 [1,0,0,1,0,0|2,0,0]=4 2164 B9R1.110 OC(C1CNC1)C(O)=O Amb24339989 [1,0,0,1,0,0|2,0,0]=4 2165 B9R1.110 OC(C1CSC1)C(O)=O Amb24759238 [1,0,0,1,0,0|1,0,1]=4 2166 B9R1.112 NC(CC1CC1)C(N)=O Amb25767604 [1,0,0,1,0,0|2,0,0]=4 2167 B9R1.112 NC(CC1CC1)C(O)=O Amb23399727 [1,0,0,1,0,0|1,0,0]=3 2168 B9R1.112 NC(CC1CO1)C(O)=O Amb25800055 [1,0,0,1,0,0|0,1,0]=3 2169 B9R1.112 N[C@@H](CC1CC1)C(N)=O Amb25317927 [1,0,0,1,0,0|2,0,0]=4 2170 B9R1.112 N[C@@H](CC1CC1)C(O)=O Amb24329024 [1,0,0,1,0,0|1,0,0]=3 2171 B9R1.112 N[C@@H](CC1CO1)C(O)=O Amb25709170 [1,0,0,1,0,0|0,1,0]=3 2172 B9R1.112 N[C@H](CC1CC1)C(N)=O Amb24410138 [1,0,0,1,0,0|2,0,0]=4 2173 B9R1.112 OC(=O)C(S)CC1CC1 Amb18296302 [1,0,0,1,0,0|2,0,0]=4 2174 B9R1.112 OC(=O)[C@H](Br)CC1CC1 Amb24480301 [1,0,0,1,0,0|2,0,0]=4 2175 B9R1.112 OC(CC1CC1)C(O)=O Amb25082516 [1,0,0,1,0,0|2,0,0]=4 2176 B9R1.112 O[C@@H](CC1CC1)C(O)=O Amb23401512 [1,0,0,1,0,0|2,0,0]=4 2177 B9R1.159 CC1CCC1(N)C(N)=O Amb24391671 [1,0,0,1,0,0|2,0,0]=4 2178 B9R1.159 CC1CCC1(N)C(O)=O Amb23456072 [1,0,0,1,0,0|1,0,0]=3 2179 B9R1.159 C[C@@H]1CC[C@]1(N)C(O)=O Amb24586126 [1,0,0,1,0,0|1,0,0]=3 2180 B9R1.159 C[C@H]1CC[C@@]1(C)C(O)=O Amb24575030 [1,0,0,1,0,0|2,0,0]=4 2181 B9R1.159 NC1(CCC1F)C(O)=O Amb25223441 [1,0,0,1,0,0|2,0,0]=4 2182 B9R1.159 N[C@@H]1CC[C@]1(N)C(O)=O Amb25233319 [1,0,0,1,0,0|2,0,0]=4 2183 B9R1.159 N[C@@]1(CC[C@H]1O)C(O)=O Amb25313173 [1,0,0,1,0,0|2,0,0]=4 2184 B9R1.163 CC(=O)C1(N)CCCC1 Amb1091405 [1,0,0,1,0,0|2,0,0]=4 2185 B9R1.163 CC(=O)C1(N)CCCC1 Amb22283948 [1,0,0,1,0,0|2,0,0]=4 2186 B9R1.163 CC(=O)C1(N)COCC1 Amb24427660 [1,0,0,1,0,0|1,1,0]=4 2187 B9R1.163 CC1(CNCC1)C(O)=O Amb20634439 [1,0,0,1,0,0|2,0,0]=4 2188 B9R1.163 CC1(COCC1)C(O)=O Amb18280535 [1,0,0,1,0,0|1,1,0]=4 2189 B9R1.163 C[C@]1(CNCC1)C(O)=O Amb24346794 [1,0,0,1,0,0|2,0,0]=4 2190 B9R1.163 NC(=O)C1(N)CCCC1 Amb19265774 [1,0,0,1,0,0|2,0,0]=4 2191 B9R1.163 NC(=O)C1(N)COCC1 Amb25835775 [1,0,0,1,0,0|1,1,0]=4 2192 B9R1.163 NC(=O)C1(N)CSCC1 Amb18279185 [1,0,0,1,0,0|1,0,1]=4 2193 B9R1.163 NC1(CCCC1)P(O)=O Amb24561449 [1,0,0,1,0,0|2,0,0]=4 2194 B9R1.163 NC1(CNCC1)C(O)=O Amb22490624 [1,0,0,1,0,0|1,0,0]=3 2195 B9R1.163 NC1(COCC1)C(O)=O Amb22274600 [1,0,0,1,0,0|0,1,0]=3 2196 B9R1.163 NC1(CSCC1)C(O)=O Amb22274058 [1,0,0,1,0,0|0,0,1]=3 2197 B9R1.163 N[C@@]1(COCC1)C(O)=O Amb20241211 [1,0,0,1,0,0|0,1,0]=3 2198 B9R1.163 N[C@]1(COCC1)C(O)=O Amb20241209 [1,0,0,1,0,0|0,1,0]=3 2199 B9R1.163 N[C@]1(CSCC1)C(O)=O Amb24476636 [1,0,0,1,0,0|0,0,1]=3 2200 B9R1.163 OC(=O)C1(Br)CCCC1 Amb17595053 [1,0,0,1,0,0|2,0,0]=4 2201 B9R1.163 OC(=O)C1(F)CNCC1 Amb24120613 [1,0,0,1,0,0|2,0,0]=4 2202 B9R1.163 OC(=O)C1(F)COCC1 Amb24420228 [1,0,0,1,0,0|1,1,0]=4 2203 B9R1.163 OC(=O)C1(F)CSCC1 Amb24541152 [1,0,0,1,0,0|1,0,1]=4 2204 B9R1.163 OC(=O)C1(N)CCCC1 Amb1838882 [1,0,0,1,0,0|1,0,0]=3 2205 B9R1.163 OC(=O)C1(N)COCC1 Amb16232669 [1,0,0,1,0,0|0,1,0]=3 2206 B9R1.163 OC(=O)C1(O)CCCC1 Amb1159211 [1,0,0,1,0,0|2,0,0]=4 2207 B9R1.163 OC(=O)C1(O)CNCC1 Amb22500918 [1,0,0,1,0,0|2,0,0]=4 2208 B9R1.163 OC(=O)C1(O)CNCC1 Amb22899772 [1,0,0,1,0,0|2,0,0]=4 2209 B9R1.163 OC(=O)C1(O)CSCC1 Amb18944714 [1,0,0,1,0,0|1,0,1]=4 2210 B9R1.163 OC(=O)[C@]1(O)COCC1 Amb24389865 [1,0,0,1,0,0|1,1,0]=4 2211 B9R1.163 [NH3+]C1(C[NH2+]CC1)C(O)=O Amb22583868 [1,0,0,1,0,0|1,0,1]=4 2212 B9R1.1 CC1CCC(CC1)C=O Amb18642467 [1,0,0,1,0,0|2,0,0]=4 2213 B9R1.1 CC1CCC(CO)NC1 Amb22886337 [1,0,0,1,0,0|1,0,1]=4 2214 B9R1.1 CC1CCC(CO)NC1 Amb24745499 [1,0,0,1,0,0|1,0,1]=4 2215 B9R1.1 CN1CCC(CC1)C=O Amb22394884 [1,0,0,1,0,0|2,0,0]=4 2216 B9R1.1 CN1CCC(CC1)C=O Amb22587018 [1,0,0,1,0,0|2,0,0]=4 2217 B9R1.1 C[C@@H]1CC[C@H](CC1)C=O Amb25075627 [1,0,0,1,0,0|2,0,0]=4 2218 B9R1.10 CC1(C)CCC(N)C=C1 Amb24426817 [1,0,0,1,0,0|2,0,0]=4 2219 B9R1.10 CC1(C)CCC(N)CO1 Amb22504670 [1,0,0,1,0,0|1,0,1]=4 2220 B9R1.55 CN(C)N1CC(N)C1=O Amb25054400 [1,0,0,1,0,0|2,0,0]=4 2221 B9R1.80 NC(CO)CCC1CC1 Amb24715971 [1,0,0,1,0,0|1,0,1]=4 2222 B9R1.80 O=CC(Br)CCC1CC1 Amb24480149 [1,0,0,1,0,0|2,0,0]=4 2223 B9R1.80 OC(CCC1CC1)C=O Amb25846669 [1,0,0,1,0,0|2,0,0]=4 2224 B9R1.86 CC(C)CC1CC1C=O Amb25251564 [1,0,0,1,0,0|2,0,0]=4 2225 B9R1.125 CC1CC(C)(CC1)C=O Amb23454036 [1,0,0,1,0,0|2,0,0]=4 2226 B9R1.125 CN1CC(N)(CO)CC1 Amb18948930 [1,0,0,1,0,0|1,0,1]=4 2227 B9R1.127 CC(C)C1CC1(N)CO Amb24638729 [1,0,0,1,0,0|1,0,1]=4 2228 B9R1.133 CC1(C)CC(CC1)C=O Amb24418196 [1,0,0,1,0,0|2,0,0]=4 2229 B9R1.133 CC1(C)CCC(CO)N1 Amb24400098 [1,0,0,1,0,0|1,0,1]=4 2230 B9R1.138 CC1(C)CCC(Br)C1=O Amb25306183 [1,0,0,1,0,0|2,0,0]=4 2231 B9R1.138 CC1(C)CCC(N)C1O Amb24695584 [1,0,0,1,0,0|1,0,1]=4 2232 B9R1.138 CC1(C)CCC(O)C1=O Amb25032072 [1,0,0,1,0,0|2,0,0]=4 2233 B9R1.138 CC1CCC(C)(C)C1=O Amb22228221 [1,0,0,1,0,0|2,0,0]=4 2234 B9R1.185 CC(C=O)C1CC1(C)C Amb25282715 [1,0,0,1,0,0|2,0,0]=4 2235 B9R1.53 CC(=O)CC1CN(C)C1 Amb25249609 [1,0,0,1,0,0|2,0,0]=4 2236 B9R1.53 C[C@@H]1C[C@H](CC(O)=O)C1 Amb24372826 [1,0,0,1,0,0|1,0,0]=3 2237 B9R1.53 C[C@H]1C[C@H](C1)CC(C)=O Amb24722132 [1,0,0,1,0,0|2,0,0]=4 2238 B9R1.53 NC1CC(CC(O)=O)C1 Amb23440231 [1,0,0,1,0,0|2,0,0]=4 2239 B9R1.53 N[C@@H]1C[C@@H](CC(O)=O)C1 Amb23440233 [1,0,0,1,0,0|2,0,0]=4 2240 B9R1.53 N[C@@H]1C[C@H](CC(O)=O)C1 Amb23440232 [1,0,0,1,0,0|2,0,0]=4 2241 B9R1.53 N[C@@H]1C[C@H](CC(O)=O)C1 Amb24056536 [1,0,0,1,0,0|2,0,0]=4 2242 B9R1.53 OC(=O)CC1CC(Cl)C1 Amb25145965 [1,0,0,1,0,0|2,0,0]=4 2243 B9R1.53 OC1CC(C1)CC(O)=O Amb24481941 [1,0,0,1,0,0|2,0,0]=4 2244 B9R1.53 O[C@@H]1C[C@H](C1)CC(O)=O Amb25204858 [1,0,0,1,0,0|2,0,0]=4 2245 B9R1.66 CC1(C)CCNC(=O)O1 Amb25083672 [1,0,0,1,0,0|2,0,0]=4 2246 B9R1.66 O=C1CCCC(C1)(C)C Amb13883565 [1,0,0,1,0,0|2,0,0]=4 2247 B9R1.85 CC(=O)CCCC1CC1 Amb25303589 [1,0,0,1,0,0|2,0,0]=4 2248 B9R1.85 OC(=O)CCCC1CC1 Amb18832629 [1,0,0,1,0,0|1,0,0]=3 2249 B9R1.85 OC(=O)CCC[C@H]1CO1 Amb24427275 [1,0,0,1,0,0|2,0,0]=4 2250 B9R1.85 OC(=O)CCNC1CC1 Amb1106410 [1,0,0,1,0,0|2,0,0]=4 2251 B9R1.85 OC(=O)CCSC1CC1 Amb25221891 [1,0,0,1,0,0|2,0,0]=4 2252 B9R1.161 CC(=C)[C@@H]1C[C@@H]1C(O)=O Amb24514832 [1,0,0,1,0,0|1,0,1]=4 2253 B9R1.161 CC(C)C1CC1C(O)=O Amb18285139 [1,0,0,1,0,0|1,0,0]=3 2254 B9R1.161 CC(C)[C@@H]1C[C@@H]1C(C)=O Amb24610096 [1,0,0,1,0,0|2,0,0]=4 2255 B9R1.161 CC(C)[C@@H]1C[C@H]1C(C)=O Amb24621711 [1,0,0,1,0,0|2,0,0]=4 2256 B9R1.161 CC(C)[C@@H]1O[C@@H]1C(O)=O Amb24546994 [1,0,0,1,0,0|2,0,0]=4 2257 B9R1.161 CC(C)[C@H]1O[C@@H]1C(O)=O Amb25229035 [1,0,0,1,0,0|2,0,0]=4 2258 B9R1.166 CC1(C)CCC1C(O)=O Amb25032090 [1,0,0,1,0,0|1,0,0]=3 2259 B9R1.166 CC1(C)CNC1C(O)=O Amb24117326 [1,0,0,1,0,0|2,0,0]=4 2260 B9R1.170 CC(=O)CC1CC1(C)C Amb24722807 [1,0,0,1,0,0|2,0,0]=4 2261 B9R1.170 CC1(C)CC1CC(O)=O Amb25145962 [1,0,0,1,0,0|1,0,0]=3 2262 B9R1.170 CC1(C)O[C@H]1CC(O)=O Amb25719083 [1,0,0,1,0,0|2,0,0]=4 2263 B9R1.36 CC1(C)CC(Br)C(=O)O1 Amb24340074 [0,0,0,1,1,0|2,0,0]=4 2264 B9R1.36 CC1(C)CC(Cl)C(=O)O1 Amb24513845 [0,0,0,1,1,0|2,0,0]=4 2265 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb18124322 [0,0,0,1,1,0|1,0,0]=3 2266 B9R1.36 CC1(C)CC(O)C(=O)O1 Amb25245118 [0,0,0,1,1,0|2,0,0]=4 2267 B9R1.36 CC1(C)C[C@H](Cl)C(=O)O1 Amb25743067 [0,0,0,1,1,0|2,0,0]=4 2268 B9R1.36 CC1(C)C[C@H](N)C(=O)O1 Amb24476611 [0,0,0,1,1,0|1,0,0]=3 2269 B9R1.36 CC1CC(C)(C)OC1=O Amb24444118 [0,0,0,1,1,0|2,0,0]=4 2270 B9R1.152 CC1CC(C)(C1)C(O)=O Amb23448860 [0,0,0,1,1,0|2,0,0]=4 2271 B9R1.152 CC1CC(N)(C1)C(O)=O Amb25821754 [0,0,0,1,1,0|1,0,0]=3 2272 B9R1.152 CC1CC(O)(C1)C(O)=O Amb24522784 [0,0,0,1,1,0|2,0,0]=4 2273 B9R1.152 N[C@@]1(C[C@H](F)C1)C(O)=O Amb22746505 [0,0,0,1,1,0|2,0,0]=4 2274 B9R1.152 N[C@]1(C[C@@H](O)C1)C(O)=O Amb25297893 [0,0,0,1,1,0|2,0,0]=4 2275 B9R1.164 CC1(C)CC(N1)C(O)=O Amb24117447 [0,0,0,1,1,0|1,0,0]=3 2276 B9R1.169 CC1(C)CC1(C)C(O)=O Amb25793545 [0,0,0,1,1,0|2,0,0]=4 2277 B9R1.169 CC1(C)CC1(N)C(N)=O Amb24741207 [0,0,0,1,1,0|2,0,0]=4 2278 B11R1.20 CN1CCC(CC(O)=O)CC1 Amb19890187 [0,0,0,1,0,1|2,0,0]=4 2279 B11R1.20 C[C@@H]1CC[C@@H](CC(C)=O)NC1 Amb25351666 [0,0,0,1,0,1|2,0,0]=4 2280 B11R1.20 C[C@@H]1CC[C@@H](CC1)CC(=O)O Amb10843976 [0,0,0,1,0,1|2,0,0]=4 2281 B11R1.20 C[C@H]1CC[C@@H](CC(C)=O)NC1 Amb24519236 [0,0,0,1,0,1|2,0,0]=4 2282 B11R1.74 CC(C)[C@@H]1C[C@@H](O)CC(=O)O1 Amb24711783 [0,0,0,1,0,1|2,0,0]=4 2283 B11R1.74 CC(C)[C@@H]1C[C@H](O)CC(=O)O1 Amb25192021 [0,0,0,1,0,1|2,0,0]=4 2284 B11R1.167 C=C1CCC(N)C(C1)C(O)=O Amb24578461 [0,0,0,1,0,1|1,0,1]=4 2285 B11R1.167 C=C1CC[C@H](N)[C@@H](C1)C(O)=O Amb25252134 [0,0,0,1,0,1|1,0,1]=4 2286 B11R1.167 CC1CC(=C(N)CC1)C(O)=O Amb24488146 [0,0,0,1,0,1|1,0,1]=4 2287 B11R1.167 CC1CC(C(N)CC1)C(O)=O Amb18200001 [0,0,0,1,0,1|1,0,0]=3 2288 B11R1.167 CC1CCC(O)C(C1)C(O)=O Amb25210516 [0,0,0,1,0,1|2,0,0]=4 2289 B11R1.167 CC1CCN(C)CC1C(O)=O Amb25242472 [0,0,0,1,0,1|2,0,0]=4 2290 B11R1.167 CN1CC(C(F)CC1)C(O)=O Amb25350640 [0,0,0,1,0,1|2,0,0]=4 2291 B11R1.167 CN1CC(C(N)CC1)C(O)=O Amb18199905 [0,0,0,1,0,1|1,0,0]=3 2292 B11R1.167 CN1CCC(N)C(C1)C(N)=O Amb24062224 [0,0,0,1,0,1|2,0,0]=4 2293 B11R1.167 CN1CCC(O)C(C1)C(O)=O Amb18830394 [0,0,0,1,0,1|2,0,0]=4 2294 B11R1.167 CN1CC[C@@H](O)[C@@H](C1)C(O)=O Amb22757827 [0,0,0,1,0,1|2,0,0]=4 2295 B11R1.167 CN1CC[C@@H](O)[C@H](C1)C(O)=O Amb22757828 [0,0,0,1,0,1|2,0,0]=4 2296 B11R1.167 CN1CC[C@H]([C@@H](C1)C(=O)O)O Amb15701227 [0,0,0,1,0,1|2,0,0]=4 2297 B11R1.167 C[C@@H]1C[C@H]([C@H](C)CC1)C(O)=O Amb24595391 [0,0,0,1,0,1|2,0,0]=4 2298 B11R1.167 C[C@H]1C[C@H]([C@@H](C)CC1)C(O)=O Amb24511944 [0,0,0,1,0,1|2,0,0]=4 2299 B11R1.167 NC1CCC(O)CC1C(O)=O Amb25139597 [0,0,0,1,0,1|2,0,0]=4 2300 B11R1.645 CC(C)C[C@H]1OC(=O)C[C@@H]1O Amb24515311 [0,0,0,1,0,1|2,0,0]=4 2301 B11R1.710 CC1(C)CCC(CC(O)=O)O1 Amb18126155 [0,0,0,1,0,1|2,0,0]=4 2302 B11R1.711 CC(C)CC[C@@H]1O[C@H]1C(O)=O Amb25386408 [0,0,0,1,0,1|2,0,0]=4 2303 B11R1.740 CC(C)CC1CC1CC(O)=O Amb24767051 [0,0,0,1,0,1|2,0,0]=4 2304 B11R1.930 CC1(C)CCC1(N)CC(O)=O Amb25743143 [0,0,0,1,0,1|1,0,0]=3 2305 B11R1.1040 CC1(C)CCC(O)C1C(O)=O Amb24352526 [0,0,0,1,0,1|2,0,0]=4 2306 B11R1.21 CC(C)C1CCC(C)C(=O)O1 Amb25149452 [0,0,0,1,0,1|2,0,0]=4 2307 B11R1.104 CC(CNC1CC1C)C(O)=O Amb18182214 [0,0,0,1,0,1|2,0,0]=4 2308 B11R1.104 CC1CC1NCC(N)C(O)=O Amb25383188 [0,0,0,1,0,1|1,0,0]=3 2309 B11R1.153 CC(NC1CN(C)C1)C(O)=O Amb25838628 [0,0,0,1,0,1|2,0,0]=4 2310 B11R1.153 CC1CC(C1)N[C@H](C)C(O)=O Amb24662972 [0,0,0,1,0,1|2,0,0]=4 2311 B11R1.153 CC1CN(CC(O)C(O)=O)C1 Amb25801298 [0,0,0,1,0,1|2,0,0]=4 2312 B11R1.175 CC(=O)[C@@H]1NC(CS1)C(O)=O Amb24487680 [0,0,0,1,0,1|2,0,0]=4 2313 B11R1.175 CC(=O)[C@H]1NC(CS1)C(O)=O Amb25226564 [0,0,0,1,0,1|2,0,0]=4 2314 B11R1.175 CC(C)=C1CC(CC1)C(O)=O Amb25257636 [0,0,0,1,0,1|2,0,0]=4 2315 B11R1.175 CC(C)C1CC(NC1)C(O)=O Amb24752524 [0,0,0,1,0,1|2,0,0]=4 2316 B11R1.175 CC(C)C1CCC(N1)C(O)=O Amb18200002 [0,0,0,1,0,1|1,0,0]=3 2317 B11R1.175 CC(C)C1CCC(O1)C(O)=O Amb24392753 [0,0,0,1,0,1|2,0,0]=4 2318 B11R1.175 CC(C)C1N[C@@H](CS1)C(O)=O Amb18180516 [0,0,0,1,0,1|1,0,0]=3 2319 B11R1.175 CC(C)C=1CCC(N1)C(O)=O Amb23454509 [0,0,0,1,0,1|1,0,1]=4 2320 B11R1.175 CC(C)C=1CC[C@H](N1)C(O)=O Amb25152719 [0,0,0,1,0,1|1,0,1]=4 2321 B11R1.175 CC(C)[C@@H]1CC[C@@H](N1)C(O)=O Amb24514876 [0,0,0,1,0,1|1,0,0]=3 2322 B11R1.175 CC(C)[C@H]1CC[C@H](N1)C(O)=O Amb25174843 [0,0,0,1,0,1|1,0,0]=3 2323 B11R1.175 CN(C)C1CC(CC1)C(O)=O Amb24509743 [0,0,0,1,0,1|2,0,0]=4 2324 B11R1.175 CN(C)[C@@H]1CN[C@@H](C1)C(O)=O Amb22587285 [0,0,0,1,0,1|2,0,0]=4 2325 B11R1.175 CN(C)[C@H]1CN[C@@H](C1)C(O)=O Amb22587286 [0,0,0,1,0,1|2,0,0]=4 2326 B11R1.175 CN(C)[C@H]1CN[C@H](C1)C(O)=O Amb24519419 [0,0,0,1,0,1|2,0,0]=4 2327 B11R1.175 CN([C@H]1CN[C@@H](C1)C(=O)O)C Amb15701330 [0,0,0,1,0,1|2,0,0]=4 2328 B11R1.314 CC(C1CN(C)CC1)C(O)=O Amb25191184 [0,0,0,1,0,1|2,0,0]=4 2329 B11R1.314 CC1CC(CC1)C(O)C(O)=O Amb25149222 [0,0,0,1,0,1|2,0,0]=4 2330 B11R1.314 CC1CC(CS1)C(F)C(O)=O Amb25200814 [0,0,0,1,0,1|2,0,0]=4 2331 B11R1.314 CC1CCC(O1)C(N)C(O)=O Amb24390378 [0,0,0,1,0,1|2,0,0]=4 2332 B11R1.314 CC1CN(CC1)C(C)C(O)=O Amb18283315 [0,0,0,1,0,1|2,0,0]=4 2333 B11R1.314 CC=1COC(C1)[C@H](N)C(O)=O Amb24357015 [0,0,0,1,0,1|1,0,1]=4 2334 B11R1.314 CC=1CO[C@H](C1)[C@H](N)C(O)=O Amb24610184 [0,0,0,1,0,1|1,0,1]=4 2335 B11R1.314 CC=1C[C@H](ON1)[C@H](N)C(O)=O Amb24543988 [0,0,0,1,0,1|2,0,0]=4 2336 B11R1.314 CN1CC(CC1)C(N)C(N)=O Amb24638206 [0,0,0,1,0,1|2,0,0]=4 2337 B11R1.314 CN1CC(CC1)C(N)C(O)=O Amb18199896 [0,0,0,1,0,1|1,0,0]=3 2338 B11R1.314 C[C@@H]1C[C@H](C=C1)[C@H](N)C(O)=O Amb24692774 [0,0,0,1,0,1|1,0,1]=4 2339 B11R1.314 NC(C1CC(O)CO1)C(O)=O Amb24436005 [0,0,0,1,0,1|2,0,0]=4 2340 B11R1.314 N[C@H](C1CCC(=O)C1)C(O)=O Amb25148224 [0,0,0,1,0,1|2,0,0]=4 2341 B11R1.561 CC1(C)CCC[C@H](N)C(=O)N1 Amb24731373 [0,0,0,1,0,1|2,0,0]=4 2342 B11R1.565 CC1CCCC(CC1)C(O)=O Amb24487583 [0,0,0,1,0,1|2,0,0]=4 2343 B11R1.565 CN1CCCC(CC1)C(O)=O Amb18199975 [0,0,0,1,0,1|2,0,0]=4 2344 B11R1.667 CC1CC(N)(CCC1)C(C)=O Amb25369024 [0,0,0,1,0,1|2,0,0]=4 2345 B11R1.667 CC1CC(N)(CCC1)C(N)=O Amb18279186 [0,0,0,1,0,1|2,0,0]=4 2346 B11R1.667 CC1CC(N)(CCO1)C(N)=O Amb24509057 [0,0,0,1,0,1|2,0,0]=4 2347 B11R1.667 CC1CC(O)(CCC1)C(O)=O Amb18278640 [0,0,0,1,0,1|2,0,0]=4 2348 B11R1.667 CC1CC(O)(CCO1)C(O)=O Amb25744122 [0,0,0,1,0,1|2,0,0]=4 2349 B11R1.667 CC1CCCC(N1)(N)C(=O)O Amb13886110 [0,0,0,1,0,1|2,0,0]=4 2350 B11R1.667 CC1CNCC(C)(C1)C(O)=O Amb24543143 [0,0,0,1,0,1|2,0,0]=4 2351 B11R1.667 CC1C[C@](C)(CCC1)C(O)=O Amb24373142 [0,0,0,1,0,1|2,0,0]=4 2352 B11R1.667 CC=1CC(C)(CCC1)C(O)=O Amb18125780 [0,0,0,1,0,1|2,0,0]=4 2353 B11R1.667 CN1CC(C)(OCC1)C(O)=O Amb20061968 [0,0,0,1,0,1|2,0,0]=4 2354 B11R1.667 CN1CC(N)(CCC1)C(N)=O Amb25380618 [0,0,0,1,0,1|2,0,0]=4 2355 B11R1.667 CN1CC(O)(CCC1)C(O)=O Amb25782779 [0,0,0,1,0,1|2,0,0]=4 2356 B11R1.667 C[C@@H]1C[C@@](C)(CCC1)C(O)=O Amb24571744 [0,0,0,1,0,1|2,0,0]=4 2357 B11R1.667 C[C@@H]1C[C@](N)(CCC1)C(O)=O Amb24609910 [0,0,0,1,0,1|1,0,0]=3 2358 B11R1.667 C[C@H]1C[C@@](O)(CCC1)C(O)=O Amb24595362 [0,0,0,1,0,1|2,0,0]=4 2359 B11R1.667 NC1(CC(=O)CCC1)C(O)=O Amb23560233 [0,0,0,1,0,1|2,0,0]=4 2360 B11R1.667 NC1CNCC(N)(C1)C(O)=O Amb24359121 [0,0,0,1,0,1|2,0,0]=4 2361 B11R1.667 N[C@@]1(C[C@@H](O)CCC1)C(O)=O Amb25264396 [0,0,0,1,0,1|2,0,0]=4 2362 B11R1.667 N[C@@]1(C[C@H](O)CCC1)C(O)=O Amb25377812 [0,0,0,1,0,1|2,0,0]=4 2363 B11R1.667 N[C@]1(C[C@H](O)CCC1)C(O)=O Amb25288503 [0,0,0,1,0,1|2,0,0]=4 2364 B11R1.723 CC(C)C1CCC1(N)C(O)=O Amb23456073 [0,0,0,1,0,1|1,0,0]=3 2365 B11R1.723 CC(C)[C@@H]1CC[C@@]1(N)C(O)=O Amb25349511 [0,0,0,1,0,1|1,0,0]=3 2366 B11R1.730 CC1(C)CC(CCC1)C(O)=O Amb22059548 [0,0,0,1,0,1|2,0,0]=4 2367 B11R1.730 CC1(C)CC(CCN1)C(O)=O Amb23590785 [0,0,0,1,0,1|2,0,0]=4 2368 B11R1.730 CC1(C)CC(NCC1)C(O)=O Amb23589292 [0,0,0,1,0,1|2,0,0]=4 2369 B11R1.730 CC1(C)CCCC(N1)C(O)=O Amb23589291 [0,0,0,1,0,1|1,0,0]=3 2370 B11R1.730 CC1(C)CNCC(O1)C(O)=O Amb24509651 [0,0,0,1,0,1|2,0,0]=4 2371 B11R1.730 CC1(C)COCC(N1)C(O)=O Amb23585295 [0,0,0,1,0,1|1,0,0]=3 2372 B11R1.730 CC1(C)CSCC(N1)C(O)=O Amb25189224 [0,0,0,1,0,1|1,0,0]=3 2373 B11R1.730 CC1(C)C[C@H](CCC1)C(O)=O Amb24538171 [0,0,0,1,0,1|2,0,0]=4 2374 B11R1.730 CC1(C)NC(CCS1)C(O)=O Amb25683967 [0,0,0,1,0,1|1,0,0]=3 2375 B11R1.730 CC1(C)OC(CCO1)C(O)=O Amb25700429 [0,0,0,1,0,1|2,0,0]=4 2376 B11R1.730 CC1(C)SC(CCS1)C(O)=O Amb24652384 [0,0,0,1,0,1|2,0,0]=4 2377 B11R1.730 OC(=O)C1CCSC(C1)(C)C Amb17594418 [0,0,0,1,0,1|2,0,0]=4 2378 B11R1.1107 CC(C(O)=O)N1CCC1(C)C Amb25740219 [0,0,0,1,0,1|2,0,0]=4 2379 B11R1.1107 CC(C1CCC1(C)C)C(O)=O Amb25129232 [0,0,0,1,0,1|2,0,0]=4 2380 B11R1.1111 CC(NC1CC1(C)C)C(O)=O Amb18294244 [0,0,0,1,0,1|2,0,0]=4 2381 B11R1.1386 CC1(C)CCCC1(C)C(O)=O Amb25806188 [0,0,0,1,0,1|2,0,0]=4 2382 B11R1.1386 CC1(C)CCC[C@@]1(C)C(O)=O Amb25210548 [0,0,0,1,0,1|2,0,0]=4 2383 B11R1.1386 CC1(C)CCC[C@]1(C)C(O)=O Amb25765820 [0,0,0,1,0,1|2,0,0]=4 2384 B11R1.1386 CC1(C)COCC1(O)C(O)=O Amb24692134 [0,0,0,1,0,1|2,0,0]=4 2385 B11R1.1386 CC1(C)OCCC1(N)C(N)=O Amb25849077 [0,0,0,1,0,1|2,0,0]=4 2386 B11R1.1386 CC1(C)SCC[C@@]1(N)C(O)=O Amb25784007 [0,0,0,1,0,1|1,0,0]=3 2387 B11R1.707 CC(C)(C)C1CC(C1)C(O)=O Amb24487509 [0,1,0,1,0,0|2,0,0]=4 2388 B11R1.149 CC([C@H](N)C(O)=O)C1CC1=C Amb24626612 [0,1,0,1,0,0|1,0,1]=4 2389 B11R1.166 C=C1CC(N)C(CC1)C(O)=O Amb25264986 [0,1,0,1,0,0|1,0,1]=4 2390 B11R1.166 CC1CCC(=C(N)C1)C(O)=O Amb25724865 [0,1,0,1,0,0|1,0,1]=4 2391 B11R1.166 CC1CCC(C(C)=O)N(C)C1 Amb25151493 [0,1,0,1,0,0|2,0,0]=4 2392 B11R1.166 CC1CCC(C(S)C1)C(O)=O Amb18178147 [0,1,0,1,0,0|2,0,0]=4 2393 B11R1.166 CC1CN(C)CCC1C(O)=O Amb24644663 [0,1,0,1,0,0|2,0,0]=4 2394 B11R1.166 CC1OC(C)CNC1C(O)=O Amb25238030 [0,1,0,1,0,0|2,0,0]=4 2395 B11R1.166 CN1CC(N)C(CC1)C(N)=O Amb24518953 [0,1,0,1,0,0|2,0,0]=4 2396 B11R1.166 CN1CCC(C(F)C1)C(O)=O Amb24555473 [0,1,0,1,0,0|2,0,0]=4 2397 B11R1.166 C[C@H]1C[C@@H](C)[C@@H](CC1)C(O)=O Amb24565702 [0,1,0,1,0,0|2,0,0]=4 2398 B11R1.166 C[C@H]1C[C@@H](O)[C@@H](CC1)C(O)=O Amb24726153 [0,1,0,1,0,0|2,0,0]=4 2399 B11R1.166 C[C@H]1C[C@H](O)[C@@H](CC1)C(O)=O Amb24602306 [0,1,0,1,0,0|2,0,0]=4 2400 B11R1.166 NC1CC(O)CCC1C(O)=O Amb25269549 [0,1,0,1,0,0|2,0,0]=4 2401 B11R1.166 N[C@@H]1C[C@@H](O)CC[C@@H]1C(O)=O Amb24546400 [0,1,0,1,0,0|2,0,0]=4 2402 B11R1.313 CC(C)CC1NOC(=O)C1O Amb25102684 [0,1,0,1,0,0|2,0,0]=4 2403 B11R1.313 CC(C)C[C@@H]1NOC(=O)[C@@H]1O Amb24725186 [0,1,0,1,0,0|2,0,0]=4 2404 B11R1.488 CC1(C)CC(C(N)C1)C(O)=O Amb25258848 [0,1,0,1,0,0|2,0,0]=4 2405 B11R1.488 CC1(C)CC(O)C(C1)C(O)=O Amb18126148 [0,1,0,1,0,0|2,0,0]=4 2406 B11R1.488 CC1(C)C[C@@H]([C@H](N)C1)C(O)=O Amb24610183 [0,1,0,1,0,0|2,0,0]=4 2407 B11R1.488 CC1(C)C[C@H](O)[C@H](C1)C(O)=O Amb24519229 [0,1,0,1,0,0|2,0,0]=4 2408 B11R1.488 CC1(C)C[C@H]([C@@H](N)C1)C(O)=O Amb24760817 [0,1,0,1,0,0|2,0,0]=4 2409 B11R1.488 C[Si]1(C)C[C@@H]([C@@H](N)C1)C(O)=O Amb24519277 [0,1,0,1,0,0|2,0,0]=4 2410 B11R1.490 CC1CC(C)C(O)(C1)C(O)=O Amb24693751 [0,1,0,1,0,0|2,0,0]=4 2411 B11R1.490 CC1OC(C)CC1(N)C(O)=O Amb25342752 [0,1,0,1,0,0|2,0,0]=4 2412 B11R1.503 CC(CC1CC1)C(C)C(O)=O Amb25382091 [0,1,0,1,0,0|2,0,0]=4 2413 B11R1.503 CC(CC1CC1)C(F)C(O)=O Amb25382092 [0,1,0,1,0,0|2,0,0]=4 2414 B11R1.503 CC(CC1CC1)C(O)C(O)=O Amb25382102 [0,1,0,1,0,0|2,0,0]=4 2415 B11R1.672 CC(C)C1OC(=O)C(C)C1O Amb24671922 [0,1,0,1,0,0|2,0,0]=4 2416 B11R1.672 CC(C)C1OC(=O)C(O)C1C Amb25300361 [0,1,0,1,0,0|2,0,0]=4 2417 B11R1.672 CC(C)C1OC(=O)C(O)C1O Amb25296123 [0,1,0,1,0,0|2,0,0]=4 2418 B11R1.672 CC(C)[C@@H]1OC(=O)[C@@H](O)[C@H]1C Amb25221005 [0,1,0,1,0,0|2,0,0]=4 2419 B11R1.672 CC(C)[C@@H]1OC(=O)[C@H](C)[C@@H]1O Amb24520463 [0,1,0,1,0,0|2,0,0]=4 2420 B11R1.672 CC(C)[C@@H]1OC(=O)[C@H](O)[C@H]1C Amb24620895 [0,1,0,1,0,0|2,0,0]=4 2421 B11R1.1106 CC1(C)CC(C1)C(O)C(O)=O Amb24709602 [0,1,0,1,0,0|2,0,0]=4 2422 B11R1.1106 NC(C1CS(=O)(=O)C1)C(O)=O Amb24610746 [0,1,0,1,0,0|1,0,1]=4 2423 B11R1.220 CC1CCC(C)(CC1)C(O)=O Amb25083864 [0,1,0,1,0,0|2,0,0]=4 2424 B11R1.220 CC1CCC(N)(CC1)C(N)=O Amb18279188 [0,1,0,1,0,0|2,0,0]=4 2425 B11R1.220 CC1CCC(N)(CN1)C(N)=O Amb25280934 [0,1,0,1,0,0|2,0,0]=4 2426 B11R1.220 CC1CCC(O)(CC1)C(O)=O Amb18944702 [0,1,0,1,0,0|2,0,0]=4 2427 B11R1.220 CC=1CCC(C)(CC1)C(O)=O Amb18125736 [0,1,0,1,0,0|2,0,0]=4 2428 B11R1.220 CC=1CCC(C)(NN1)C(O)=O Amb25102524 [0,1,0,1,0,0|2,0,0]=4 2429 B11R1.220 CC=1CC[C@](C)(CC1)C(O)=O Amb24423868 [0,1,0,1,0,0|2,0,0]=4 2430 B11R1.220 CN1CCC(CC1)(C)C(=O)O Amb10607775 [0,1,0,1,0,0|2,0,0]=4 2431 B11R1.220 CN1CCC(F)(CC1)C(O)=O Amb22496438 [0,1,0,1,0,0|2,0,0]=4 2432 B11R1.220 CN1CCC(F)(CC1)C(O)=O Amb22899558 [0,1,0,1,0,0|2,0,0]=4 2433 B11R1.220 CN1CCC(N)(CC1)C(N)=O Amb18278304 [0,1,0,1,0,0|2,0,0]=4 2434 B11R1.220 CN1CCC(N)(CC1)C(O)=O Amb22899584 [0,1,0,1,0,0|1,0,0]=3 2435 B11R1.220 CN1CCC(O)(CC1)C(O)=O Amb22587728 [0,1,0,1,0,0|2,0,0]=4 2436 B11R1.220 N[C@]1(CC[C@@H](O)CC1)C(O)=O Amb25088436 [0,1,0,1,0,0|2,0,0]=4 2437 B11R1.220 O=C1CCC(CC1)(N)C(=O)O Amb16183881 [0,1,0,1,0,0|2,0,0]=4 2438 B11R1.666 CC1CC(C1)C(C)(O)C(O)=O Amb25149369 [0,1,0,1,0,0|2,0,0]=4 2439 B11R1.666 CN1CC(C1)C(C)(C)C(O)=O Amb24759168 [0,1,0,1,0,0|2,0,0]=4 2440 B11R1.716 CC(C)(CCC1CC1)C(O)=O Amb22500077 [0,1,0,1,0,0|2,0,0]=4 2441 B11R1.738 CC1(C)CC(N)(CO1)C(O)=O Amb25302152 [0,1,0,1,0,0|2,0,0]=4 2442 B11R1.738 CC1(C)CCC(C)(N1)C(O)=O Amb25152050 [0,1,0,1,0,0|1,0,0]=3 2443 B11R1.738 CC1(C)CCC(C)(O1)C(O)=O Amb18645015 [0,1,0,1,0,0|2,0,0]=4 2444 B11R1.738 CC1(C)CCC(O)(C1)C(O)=O Amb24373558 [0,1,0,1,0,0|2,0,0]=4 2445 B11R1.738 NC1(CS(=O)(=O)CC1)C(O)=O Amb24452282 [0,1,0,1,0,0|1,0,1]=4 2446 B11R1.1389 CC(C)C1(O)CC(C1)C(O)=O Amb25693839 [0,1,0,1,0,0|2,0,0]=4 2447 B11R1.1389 CC(C)C1CC(C)(C1)C(O)=O Amb24473353 [0,1,0,1,0,0|2,0,0]=4 2448 B11R1.1389 CC(C)C1CC(N)(C1)C(N)=O Amb24462059 [0,1,0,1,0,0|2,0,0]=4 2449 B11R1.1389 CC(C)C1CC(N)(C1)C(O)=O Amb24706067 [0,1,0,1,0,0|1,0,0]=3 2450 B11R1.1389 CC(C)C1CC(O)(C1)C(O)=O Amb25149391 [0,1,0,1,0,0|2,0,0]=4 2451 B11R1.1393 CC1(C)CC1C(C)(N)C(N)=O Amb25367513 [0,1,0,1,0,0|2,0,0]=4 2452 B11R1.22 CC1CCC(CC1)C(=O)NO Amb25280648 [0,1,0,1,0,0|2,0,0]=4 2453 B11R1.22 CC1CCC(CC1)C(=O)OC Amb24738407 [0,1,0,1,0,0|2,0,0]=4 2454 B11R1.22 CC1CNC(CN1)C(=O)OC Amb24533023 [0,1,0,1,0,0|2,0,0]=4 2455 B11R1.22 CC1CNC(CO1)C(=O)OC Amb25253188 [0,1,0,1,0,0|2,0,0]=4 2456 B11R1.22 CC1CNC(SC1)C(=O)OC Amb25222511 [0,1,0,1,0,0|2,0,0]=4 2457 B11R1.22 CC=1CCC(NN1)C(=O)OC Amb24062283 [0,1,0,1,0,0|2,0,0]=4 2458 B11R1.22 COC(=O)C1CCC(F)CN1 Amb25258615 [0,1,0,1,0,0|2,0,0]=4 2459 B11R1.22 COC(=O)C1CCC(N)CN1 Amb25294690 [0,1,0,1,0,0|2,0,0]=4 2460 B11R1.22 COC(=O)C1CCC(O)CN1 Amb25246969 [0,1,0,1,0,0|2,0,0]=4 2461 B11R1.22 COC(=O)C1CCN(CC1)C Amb13951155 [0,1,0,1,0,0|2,0,0]=4 2462 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 Amb24571184 [0,1,0,1,0,0|2,0,0]=4 2463 B11R1.48 CC(C)[C@@H]1C[C@@H](CC)C(=O)O1 Amb25102089 [0,1,0,1,0,0|2,0,0]=4 2464 B11R1.90 CC(C)CCC1CCOC1=O Amb17672869 [0,1,0,1,0,0|2,0,0]=4 2465 B11R1.296 CC1CC(C1)C(O)C(=O)OC Amb25149357 [0,1,0,1,0,0|2,0,0]=4 2466 B11R1.849 CC(C)C[C@@H]1C[C@H]1C(=O)NO Amb24553986 [0,1,0,1,0,0|2,0,0]=4 2467 B11R1.849 CC(C)C[C@H]1O[C@@H]1C(=O)OC Amb24762941 [0,1,0,1,0,0|2,0,0]=4 2468 B11R1.853 COC(=O)[C@@H]1C[C@@H](N1)C(O)=O Amb25264053 [0,1,0,1,0,0|2,0,0]=4 2469 B11R1.866 CC1(C)CCC(O1)C(=O)NO Amb25356914 [0,1,0,1,0,0|2,0,0]=4 2470 B11R1.866 CC1(C)NC(CO1)C(=O)NO Amb24381388 [0,1,0,1,0,0|2,0,0]=4 2471 B11R1.866 CC1(C)N[C@@H](CO1)C(=O)NO Amb25321950 [0,1,0,1,0,0|2,0,0]=4 2472 B11R1.866 COC(=O)C1CCC(C)(C)N1 Amb24475534 [0,1,0,1,0,0|1,0,0]=3 2473 B11R1.866 COC(=O)C1CCC(C)(C)O1 Amb25083673 [0,1,0,1,0,0|2,0,0]=4 2474 B11R1.866 COC(=O)C1CSC(C)(C)N1 Amb22261532 [0,1,0,1,0,0|2,0,0]=4 2475 B11R1.866 COC(=O)C1NC(C)(C)CS1 Amb24550321 [0,1,0,1,0,0|2,0,0]=4 2476 B11R1.866 COC(=O)[C@@H]1CCC(C)(C)N1 Amb25829579 [0,1,0,1,0,0|1,0,0]=3 2477 B11R1.866 COC(=O)[C@H]1CCC(C)(C)O1 Amb24576668 [0,1,0,1,0,0|2,0,0]=4 2478 B11R1.885 COC(=O)C1(C)CC(C)CC1 Amb23454042 [0,1,0,1,0,0|2,0,0]=4 2479 B11R1.885 COC(=O)C1(C)CN(C)CC1 Amb22372256 [0,1,0,1,0,0|2,0,0]=4 2480 B11R1.885 COC(=O)C1(F)CN(C)CC1 Amb25705982 [0,1,0,1,0,0|2,0,0]=4 2481 B11R1.885 COC(=O)C1(N)CC(C)CC1 Amb25061739 [0,1,0,1,0,0|1,0,0]=3 2482 B11R1.885 COC(=O)C1(N)CN(C)CC1 Amb18288211 [0,1,0,1,0,0|1,0,0]=3 2483 B11R1.885 COC(=O)C1(O)CC(C)CC1 Amb24563255 [0,1,0,1,0,0|2,0,0]=4 2484 B11R1.885 COC(=O)C1(O)CN(C)CC1 Amb18177630 [0,1,0,1,0,0|2,0,0]=4 2485 B11R1.888 CC(C)[C@@H]1C[C@@]1(N)C(=O)OC Amb23452880 [0,1,0,1,0,0|1,0,0]=3 2486 B11R1.888 CC(C)[C@@H]1C[C@]1(N)C(=O)OC Amb23452879 [0,1,0,1,0,0|1,0,0]=3 2487 B11R1.3 CCC1CCC(CC1)C(=O)O Amb2413128 [0,1,0,1,0,0|2,0,0]=4 2488 B11R1.3 CCC1CCC(NC1)C(O)=O Amb18126073 [0,1,0,1,0,0|1,0,0]=3 2489 B11R1.3 CCN1CCC(CC1)C(=O)O Amb13948946 [0,1,0,1,0,0|2,0,0]=4 2490 B11R1.3 CNC1CCC(CC1)C(O)=O Amb18949863 [0,1,0,1,0,0|2,0,0]=4 2491 B11R1.3 CO[C@@H]1CC[C@H](CC1)C(O)=O Amb24183374 [0,1,0,1,0,0|2,0,0]=4 2492 B11R1.3 NCC1CCC(OC1)C(O)=O Amb18126184 [0,1,0,1,0,0|2,0,0]=4 2493 B11R1.3 NC[C@@H]1CC[C@@H](CC1)C(=O)O Amb17620787 [0,1,0,1,0,0|2,0,0]=4 2494 B11R1.3 NC[C@@H]1CC[C@@H](CC1)C(O)=O Amb24095009 [0,1,0,1,0,0|2,0,0]=4 2495 B11R1.3 OC(=O)[C@@H]1CC[C@@H](CF)CC1 Amb25351015 [0,1,0,1,0,0|2,0,0]=4 2496 B11R1.3 OC[C@@H]1CC[C@H](CC1)C(O)=O Amb22750650 [0,1,0,1,0,0|2,0,0]=4 2497 B11R1.3 [15NH2][13CH2]C1CCC(CC1)[13C](=O)O Amb17620788 [0,1,0,1,0,0|2,0,0]=4 2498 B11R1.142 CC(CC1CCN1C)C(O)=O Amb24679463 [0,1,0,1,0,0|2,0,0]=4 2499 B11R1.146 CC1C(CC1C)C(O)C(O)=O Amb25764141 [0,1,0,1,0,0|2,0,0]=4 2500 B11R1.146 CC1CC(C(F)C(O)=O)C1C Amb25066152 [0,1,0,1,0,0|2,0,0]=4 2501 B11R1.226 N[C@@H]1C[C@@H](OC1=O)[C@H](O)CO Amb25258424 [0,1,0,1,0,0|2,0,0]=4 2502 B11R1.226 N[C@H]1C[C@H](OC1=O)[C@H](O)CO Amb25227831 [0,1,0,1,0,0|2,0,0]=4 2503 B11R1.321 CC(C1CC(C1)OC)C(O)=O Amb25148301 [0,1,0,1,0,0|2,0,0]=4 2504 B11R1.321 COC1CC(C1)C(N)C(O)=O Amb24742556 [0,1,0,1,0,0|1,0,0]=3 2505 B11R1.321 COC1CC(C1)C(O)C(O)=O Amb25148294 [0,1,0,1,0,0|2,0,0]=4 2506 B11R1.332 CC(CCC1CCC1)C(O)=O Amb24765911 [0,1,0,1,0,0|2,0,0]=4 2507 B11R1.332 NC(CCC1CCC1)C(N)=O Amb24765839 [0,1,0,1,0,0|2,0,0]=4 2508 B11R1.332 NC(CCC1CCC1)C(O)=O Amb24765840 [0,1,0,1,0,0|1,0,0]=3 2509 B11R1.332 NC(CCN1CCC1)C(N)=O Amb25385541 [0,1,0,1,0,0|2,0,0]=4 2510 B11R1.332 NC(COC1CCC1)C(O)=O Amb18792070 [0,1,0,1,0,0|2,0,0]=4 2511 B11R1.332 N[C@@H](CCC1CCC1)C(O)=O Amb24765842 [0,1,0,1,0,0|1,0,0]=3 2512 B11R1.332 N[C@H](CCC1CCC1)C(O)=O Amb24765843 [0,1,0,1,0,0|1,0,0]=3 2513 B11R1.332 OC(CCC1CCC1)C(O)=O Amb24765884 [0,1,0,1,0,0|2,0,0]=4 2514 B11R1.417 CCC1(C)NC(CO1)C(O)=O Amb24566641 [0,1,0,1,0,0|2,0,0]=4 2515 B11R1.417 CCC1(C)N[C@@H](CS1)C(O)=O Amb25101530 [0,1,0,1,0,0|2,0,0]=4 2516 B11R1.417 CCC1(C)N[C@H](CS1)C(O)=O Amb24730400 [0,1,0,1,0,0|2,0,0]=4 2517 B11R1.417 C[C@]1(CC)N[C@@H](CS1)C(=O)O Amb16203705 [0,1,0,1,0,0|2,0,0]=4 2518 B11R1.1229 CCC1CC(C)(CC1)C(O)=O Amb25696378 [0,1,0,1,0,0|2,0,0]=4 2519 B11R1.1229 CCC1CC(N)(CC1)C(O)=O Amb25060576 [0,1,0,1,0,0|1,0,0]=3 2520 B11R1.1229 CCN1CC(C)(CC1)C(O)=O Amb25189256 [0,1,0,1,0,0|2,0,0]=4 2521 B11R1.1229 CCN1CC(O)(CC1)C(O)=O Amb25718522 [0,1,0,1,0,0|2,0,0]=4 2522 B11R1.1229 CC[C@@H]1C[C@@](N)(CN1)C(O)=O Amb24621892 [0,1,0,1,0,0|2,0,0]=4 2523 B11R1.1229 COC1CC(N)(CC1)C(N)=O Amb24667268 [0,1,0,1,0,0|2,0,0]=4 2524 B11R1.1229 COC1CC(N)(CC1)C(O)=O Amb25678284 [0,1,0,1,0,0|1,0,0]=3 2525 B11R1.1229 CS[C@@H]1C[C@@](N)(CC1)C(O)=O Amb24607274 [0,1,0,1,0,0|1,0,0]=3 2526 B11R1.1229 N[C@]1(CO[C@H](C1)CO)C(O)=O Amb25216968 [0,1,0,1,0,0|2,0,0]=4 2527 B11R1.1270 CC1CCC(C)(C1O)C(O)=O Amb24420524 [0,1,0,1,0,0|2,0,0]=4 2528 B11R1.1270 CC1N(C)CCC1(N)C(O)=O Amb24615848 [0,1,0,1,0,0|1,0,0]=3 2529 B11R1.1270 CC=1CCC(C)(C(O)=O)C1C Amb24426138 [0,1,0,1,0,0|2,0,0]=4 2530 B11R1.1270 CC=1CC[C@@](C)(C(O)=O)C1C Amb24739606 [0,1,0,1,0,0|2,0,0]=4 2531 B11R1.355 CN1CC(C1)C(CN)C(N)=O Amb25312349 [0,1,0,1,0,0|2,0,0]=4 2532 B11R1.401 CC1(C)CCC1(NC)C(N)=O Amb25738796 [0,1,0,1,0,0|2,0,0]=4 2533 B11R1.401 CC1(C)CCC1(NC)C(O)=O Amb25726034 [0,1,0,1,0,0|1,0,0]=3 2534 B11R1.416 CC1CC(CC1)(CO)C(O)=O Amb25150685 [0,1,0,1,0,0|2,0,0]=4 2535 B11R1.416 CC1CC(CN)(CC1)C(O)=O Amb24687912 [0,1,0,1,0,0|1,0,0]=3 2536 B11R1.416 CNC1(CC(C)CC1)C(N)=O Amb25708286 [0,1,0,1,0,0|2,0,0]=4 2537 B11R1.416 CNC1(CC(C)CC1)C(O)=O Amb24624991 [0,1,0,1,0,0|1,0,0]=3 2538 B11R1.416 CNC1(CN(C)CC1)C(N)=O Amb18966527 [0,1,0,1,0,0|2,0,0]=4 2539 B11R1.416 CNC1(CN(C)CC1)C(O)=O Amb18288210 [0,1,0,1,0,0|1,0,0]=3 2540 B11R1.416 CNC1(CSC(C)C1)C(O)=O Amb24671870 [0,1,0,1,0,0|2,0,0]=4 2541 B11R1.416 COC1(CC(C)CC1)C(O)=O Amb25151845 [0,1,0,1,0,0|2,0,0]=4 2542 B11R1.416 CSC1(CC(C)CC1)C(O)=O Amb18127332 [0,1,0,1,0,0|2,0,0]=4 2543 B11R1.418 CC(C)C1CC1(CC)C(O)=O Amb25208654 [0,1,0,1,0,0|2,0,0]=4 2544 B11R1.418 CC(C)C1CC1(CO)C(O)=O Amb25312222 [0,1,0,1,0,0|2,0,0]=4 2545 B11R1.418 CC(C)[C@@H]1C[C@@]1(CN)C(O)=O Amb24621885 [0,1,0,1,0,0|1,0,0]=3 2546 B11R1.515 CC1(C)CCC(C(O)=O)N1O Amb24551348 [0,1,0,1,0,0|1,0,0]=3 2547 B11R1.515 CC1C(CCC1(C)C)C(O)=O Amb25700977 [0,1,0,1,0,0|2,0,0]=4 2548 B11R1.727 CC1(C)CCC(CC1)C(O)=O Amb18644844 [0,1,0,1,0,0|2,0,0]=4 2549 B11R1.727 CC1(C)CCC(CO1)C(O)=O Amb24312659 [0,1,0,1,0,0|2,0,0]=4 2550 B11R1.727 CC1(C)CNC(CC1)C(N)=O Amb24422946 [0,1,0,1,0,0|2,0,0]=4 2551 B11R1.727 CC1(C)CNC(CC1)C(O)=O Amb24649754 [0,1,0,1,0,0|1,0,0]=3 2552 B11R1.727 CC1(C)CNC(CO1)C(O)=O Amb19889803 [0,1,0,1,0,0|2,0,0]=4 2553 B11R1.727 CC1(C)CN[C@@H](CO1)C(O)=O Amb19889802 [0,1,0,1,0,0|2,0,0]=4 2554 B11R1.727 CC1(C)CN[C@@H](CO1)C(O)=O Amb25111013 [0,1,0,1,0,0|2,0,0]=4 2555 B11R1.727 CC1(C)CN[C@H](CO1)C(O)=O Amb25207391 [0,1,0,1,0,0|2,0,0]=4 2556 B11R1.727 CC1(C)COC(CN1)C(O)=O Amb25148099 [0,1,0,1,0,0|2,0,0]=4 2557 B11R1.727 CC1(Cl)CCC(CC1)C(O)=O Amb18648011 [0,1,0,1,0,0|2,0,0]=4 2558 B11R1.727 C[C@]1(O)CC[C@H](CC1)C(O)=O Amb25059131 [0,1,0,1,0,0|2,0,0]=4 2559 B11R1.727 OC(=O)C1CCC(F)(F)CN1 Amb23439100 [0,1,0,1,0,0|2,0,0]=4 2560 B11R1.727 OC(=O)C1NCC(OC1)(C)C Amb10608911 [0,1,0,1,0,0|2,0,0]=4 2561 B11R1.1033 CC1CC1NC(CN)C(O)=O Amb24754577 [0,1,0,1,0,0|2,0,0]=4 2562 B11R1.79 CC(C)(C)C1CC(N)C(=O)O1 Amb25242465 [0,1,0,1,0,0|1,0,0]=3 2563 B11R1.79 CC(C)(C)C1CC(O)C(=O)O1 Amb24431771 [0,1,0,1,0,0|2,0,0]=4 2564 B11R1.79 C[Si](C)(C)C1CC(N)C(=O)O1 Amb25211087 [0,1,0,1,0,0|1,0,0]=3 2565 B11R1.705 CC(C)(C)CC1CC1C(O)=O Amb18302717 [0,1,0,1,0,0|2,0,0]=4 2566 B11R1.705 C[Si](C)(C)C[C@H]1C[C@@H]1C(O)=O Amb24608933 [0,1,0,1,0,0|2,0,0]=4 2567 B11R1.733 CC(C)(C)C1CC1(Cl)C(O)=O Amb25095828 [0,1,0,1,0,0|2,0,0]=4 2568 B11R1.733 CC(C)(C)C1CC1(O)C(O)=O Amb25276489 [0,1,0,1,0,0|2,0,0]=4 2569 B11R1.733 CC(C)(C)[C@@H]1C[C@@]1(O)C(O)=O Amb24652348 [0,1,0,1,0,0|2,0,0]=4 2570 B11R1.733 CC(C)(C)[C@@H]1C[C@]1(Cl)C(O)=O Amb25179109 [0,1,0,1,0,0|2,0,0]=4 2571 B11R1.733 CS(=O)(=O)C1CC1(N)C(O)=O Amb23454401 [0,1,0,1,0,0|1,0,1]=4 2572 B11R1.733 C[Si](C)(C)C1CC1(Cl)C(O)=O Amb24392201 [0,1,0,1,0,0|2,0,0]=4 2573 B11R1.733 C[Si](C)(C)[C@@H]1C[C@]1(Cl)C(O)=O Amb24652508 [0,1,0,1,0,0|2,0,0]=4 2574 B11R1.487 CC1CC(N)(CN1C)C(O)=O Amb24533002 [0,1,0,1,0,0|1,0,0]=3 2575 B11R1.718 CC(CC(O)C1CC1)C(O)=O Amb18182337 [0,1,0,1,0,0|2,0,0]=4 2576 B11R1.718 CN(CC(N)C(O)=O)C1CC1 Amb18799931 [0,1,0,1,0,0|2,0,0]=4 2577 B11R1.1387 CC(C)C1(F)CC1(N)C(O)=O Amb24587898 [0,1,0,1,0,0|1,0,0]=3 2578 B11R1.1387 CC(C)[C@]1(F)C[C@]1(N)C(O)=O Amb24642001 [0,1,0,1,0,0|1,0,0]=3 2579 B11R2.700 CN1CC2C(C2C1)C(O)=O Amb18831757 [0,0,0,2,0,0|2,0,0]=4 2580 B11R2.821 OC(=O)C1CC[C@H]2C[C@@H]1C2 Amb24482502 [0,0,0,2,0,0|2,0,0]=4 2581 B11R2.839 OC(=O)C1CC2OC2CN1 Amb25849260 [0,0,0,2,0,0|2,0,0]=4 2582 B11R2.839 OC(=O)C1CCC2CC2N1 Amb25342650 [0,0,0,2,0,0|1,0,0]=3 2583 B11R2.839 OC(=O)[C@@H]1C[C@@H]2C[C@@H]2CC1 Amb25174795 [0,0,0,2,0,0|2,0,0]=4 2584 B11R2.1839 OC(=O)C12CN(CC1)CC2 Amb22585602 [0,0,0,2,0,0|2,0,0]=4 2585 B11R2.1839 OC(=O)[C@@]12CC[C@@H](C1)CN2 Amb2372049 [0,0,0,2,0,0|1,0,0]=3 2586 B11R2.1839 OC(=O)[C@@]12C[C@@H](CN1)CC2 Amb19148162 [0,0,0,2,0,0|1,0,0]=3 2587 B11R2.1839 OC(=O)[C@]12CC[C@H](C1)CN2 Amb2372048 [0,0,0,2,0,0|1,0,0]=3 2588 B11R2.1839 OC(=O)[C@]12C[C@H](CC1)CC2 Amb24621865 [0,0,0,2,0,0|2,0,0]=4 2589 B11R2.706 CC1CC2(CC2C(O)=O)C1 Amb24734432 [0,0,0,2,0,0|2,0,0]=4 2590 B11R2.706 CN1CC2(CC2C(O)=O)C1 Amb24537987 [0,0,0,2,0,0|2,0,0]=4 2591 B11R2.820 NC1(CC2CC1C2)C(O)=O Amb25362310 [0,0,0,2,0,0|1,0,0]=3 2592 B11R2.820 OC(=O)C1(O)CC2CC1C2 Amb25241628 [0,0,0,2,0,0|2,0,0]=4 2593 B11R2.62 NC12CC(COC1=O)OC2 Amb25054077 [0,0,0,2,0,0|2,0,0]=4 2594 B11R2.1850 NC1(CC2OC2C1)C(O)=O Amb25672225 [0,0,0,2,0,0|2,0,0]=4 2595 B11R2.849 NC(=O)C1(N)CCC2CC12 Amb25846368 [0,0,0,2,0,0|2,0,0]=4 2596 B11R2.849 NC1(CCC2CC12)C(O)=O Amb19148505 [0,0,0,2,0,0|1,0,0]=3 2597 B11R2.849 OC(=O)C1(O)CCC2CC12 Amb25314065 [0,0,0,2,0,0|2,0,0]=4 2598 B11R2.1230 NC(C1CC12CC2)C(O)=O Amb25131280 [0,0,0,2,0,0|1,0,0]=3 2599 B11R2.2454 CC12CC(CC1)(C2)C(O)=O Amb25305546 [0,0,0,2,0,0|2,0,0]=4 2600 B11R2.411 CN1C[C@H]2C[C@]2(C1)C(O)=O Amb24605072 [0,0,0,2,0,0|2,0,0]=4 2601 B7R0.2 CC(C)CC(C)C=O Amb18641813 [1,0,0,0,1,0|2,0,0]=4 2602 B7R0.2 CC(C)CC(Cl)C=O Amb24482192 [1,0,0,0,1,0|2,0,0]=4 2603 B7R0.2 CC(C)CC(N)C=C Amb25743094 [1,0,0,0,1,0|2,0,0]=4 2604 B7R0.2 CC(C)CC(N)CO Amb18015118 [1,0,0,0,1,0|1,0,1]=4 2605 B7R0.2 CC(C)C[C@@H](N)C=O Amb25698367 [1,0,0,0,1,0|1,0,0]=3 2606 B7R0.2 CC(C)C[C@@H](N)CO Amb22746869 [1,0,0,0,1,0|1,0,1]=4 2607 B7R0.2 CC(C)C[C@@H](O)C=O Amb25104909 [1,0,0,0,1,0|2,0,0]=4 2608 B7R0.2 CC(C)C[C@H](Cl)C=O Amb24661911 [1,0,0,0,1,0|2,0,0]=4 2609 B7R0.2 CC(C)C[C@H](N)C=C Amb25745886 [1,0,0,0,1,0|2,0,0]=4 2610 B7R0.2 CC(C)C[C@H](N)CO Amb22504556 [1,0,0,0,1,0|1,0,1]=4 2611 B7R0.2 CN(C)CC(N)CO Amb25742525 [1,0,0,0,1,0|1,0,1]=4 2612 B7R0.2 CN(C)CC(O)C=O Amb25233179 [1,0,0,0,1,0|2,0,0]=4 2613 B7R0.2 CN(C)C[C@@H](N)CO Amb24411936 [1,0,0,0,1,0|1,0,1]=4 2614 B7R0.2 C[S+](C)CC(O)CO Amb24493510 [1,0,0,0,1,0|1,0,1]=4 2615 B7R0.16 CC(=C)C(N)C(O)=O Amb18641831 [0,0,0,0,2,0|1,0,1]=4 2616 B7R0.16 CC(=O)C(N)C(O)=O Amb21962887 [0,0,0,0,2,0|2,0,0]=4 2617 B7R0.16 CC(Br)C(N)C(O)=O Amb25775046 [0,0,0,0,2,0|2,0,0]=4 2618 B7R0.16 CC(C(=O)O)C(C)C Amb17087469 [0,0,0,0,2,0|2,0,0]=4 2619 B7R0.16 CC(C(C(=O)O)N)F Amb10838661 [0,0,0,0,2,0|2,0,0]=4 2620 B7R0.16 CC(C(C(=O)O)N)S Amb17593434 [0,0,0,0,2,0|2,0,0]=4 2621 B7R0.16 CC(C(O)=O)N(C)C Amb21955631 [0,0,0,0,2,0|2,0,0]=4 2622 B7R0.16 CC(C)C(F)C(O)=O Amb19957386 [0,0,0,0,2,0|2,0,0]=4 2623 B7R0.16 CC(C)C(N)C(=O)S Amb25064101 [0,0,0,0,2,0|1,1,0]=4 2624 B7R0.16 CC(C)C(N)C(C)=O Amb23536905 [0,0,0,0,2,0|2,0,0]=4 2625 B7R0.16 CC(C)C(N)C(N)=O Amb19267095 [0,0,0,0,2,0|2,0,0]=4 2626 B7R0.16 CC(C)C(N)[13C](O)=O Amb22338653 [0,0,0,0,2,0|1,0,0]=3 2627 B7R0.16 CC(C)C(S)C(O)=O Amb18282761 [0,0,0,0,2,0|2,0,0]=4 2628 B7R0.16 CC(C)C([15NH2])C(O)=O Amb22363191 [0,0,0,0,2,0|1,0,0]=3 2629 B7R0.16 CC(C)[13CH](N)C(O)=O Amb22367349 [0,0,0,0,2,0|1,0,0]=3 2630 B7R0.16 CC(C)[C@@H](Cl)C(O)=O Amb22353101 [0,0,0,0,2,0|2,0,0]=4 2631 B7R0.16 CC(C)[C@@H](F)C(O)=O Amb25083215 [0,0,0,0,2,0|2,0,0]=4 2632 B7R0.16 CC(C)[C@@H](N)C(C)=O Amb25757023 [0,0,0,0,2,0|2,0,0]=4 2633 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb22169898 [0,0,0,0,2,0|2,0,0]=4 2634 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb25132118 [0,0,0,0,2,0|2,0,0]=4 2635 B7R0.16 CC(C)[C@@H](N)C(O)=O Amb22746777 [0,0,0,0,2,0|1,0,0]=3 2636 B7R0.16 CC(C)[C@@H](S)C(O)=O Amb25320674 [0,0,0,0,2,0|2,0,0]=4 2637 B7R0.16 CC(C)[C@H](N)C(=O)Cl Amb25679283 [0,0,0,0,2,0|2,0,0]=4 2638 B7R0.16 CC(C)[C@H](N)C(=O)S Amb24427323 [0,0,0,0,2,0|1,1,0]=4 2639 B7R0.16 CC(C)[C@H](N)C(O)=O Amb22351111 [0,0,0,0,2,0|1,0,0]=3 2640 B7R0.16 CC(C)[C@H](N)[13C](O)=O Amb22354046 [0,0,0,0,2,0|1,0,0]=3 2641 B7R0.16 CC(C)[C@H](S)C(O)=O Amb25662094 [0,0,0,0,2,0|2,0,0]=4 2642 B7R0.16 CC(Cl)C(N)C(O)=O Amb25269614 [0,0,0,0,2,0|2,0,0]=4 2643 B7R0.16 CC(N)C(N)C(O)=O Amb17678795 [0,0,0,0,2,0|2,0,0]=4 2644 B7R0.16 CC(N)C(N)C(O)=O Amb22728051 [0,0,0,0,2,0|2,0,0]=4 2645 B7R0.16 CC(N)[C@H](N)C(O)=O Amb25083113 [0,0,0,0,2,0|2,0,0]=4 2646 B7R0.16 CC(S)[C@@H](N)C(O)=O Amb24606864 [0,0,0,0,2,0|2,0,0]=4 2647 B7R0.16 CC(S)[C@H](N)C(O)=O Amb25684204 [0,0,0,0,2,0|2,0,0]=4 2648 B7R0.16 CN(C)C(N)C(O)=O Amb24746695 [0,0,0,0,2,0|1,0,0]=3 2649 B7R0.16 C[C@@H](C(=O)O)C(C)C Amb10844600 [0,0,0,0,2,0|2,0,0]=4 2650 B7R0.16 C[C@@H](C(O)=O)N(C)C Amb22587534 [0,0,0,0,2,0|2,0,0]=4 2651 B7R0.16 C[C@@H](F)[C@H](N)C(O)=O Amb25789807 [0,0,0,0,2,0|2,0,0]=4 2652 B7R0.16 C[C@@H](N)[C@@H](N)C(O)=O Amb22745396 [0,0,0,0,2,0|2,0,0]=4 2653 B7R0.16 C[C@@H](N)[C@H](N)C(O)=O Amb22745441 [0,0,0,0,2,0|2,0,0]=4 2654 B7R0.16 C[C@@H](N)[C@H](N)C(O)=O Amb24481409 [0,0,0,0,2,0|2,0,0]=4 2655 B7R0.16 C[C@@H](O)[13C@H](N)[13C](O)=O Amb22336905 [0,0,0,0,2,0|2,0,0]=4 2656 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O Amb22351168 [0,0,0,0,2,0|2,0,0]=4 2657 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(O)=O Amb22353591 [0,0,0,0,2,0|2,0,0]=4 2658 B7R0.16 C[C@@H](S)[C@@H](N)C(O)=O Amb24333717 [0,0,0,0,2,0|2,0,0]=4 2659 B7R0.16 C[C@@H](S)[C@H](N)C(O)=O Amb24117242 [0,0,0,0,2,0|2,0,0]=4 2660 B7R0.16 C[C@@H](S)[C@H](N)C(O)=O Amb24726915 [0,0,0,0,2,0|2,0,0]=4 2661 B7R0.16 C[C@H](Br)[C@H](N)C(O)=O Amb24711401 [0,0,0,0,2,0|2,0,0]=4 2662 B7R0.16 C[C@H](C(=O)O)C(C)C Amb10844601 [0,0,0,0,2,0|2,0,0]=4 2663 B7R0.16 C[C@H](C(O)=O)N(C)C Amb22586633 [0,0,0,0,2,0|2,0,0]=4 2664 B7R0.16 C[C@H](F)[C@H](N)C(O)=O Amb25805291 [0,0,0,0,2,0|2,0,0]=4 2665 B7R0.16 C[C@H](N)[C@@H](N)C(O)=O Amb17678796 [0,0,0,0,2,0|2,0,0]=4 2666 B7R0.16 C[C@H](N)[C@H](N)C(O)=O Amb17678797 [0,0,0,0,2,0|2,0,0]=4 2667 B7R0.16 C[C@H](O)C(N)C(O)=O Amb24377632 [0,0,0,0,2,0|2,0,0]=4 2668 B7R0.16 C[C@H](S)[C@H](N)C(O)=O Amb25131648 [0,0,0,0,2,0|2,0,0]=4 2669 B7R0.16 C[C@H]([C@@H]([13C](=O)O)N)O Amb17620634 [0,0,0,0,2,0|2,0,0]=4 2670 B7R0.16 Cl[C@H](C(=O)O)C(C)C Amb16232072 [0,0,0,0,2,0|2,0,0]=4 2671 B7R0.16 N[C@H](C(=O)N)C(C)C Amb16183986 [0,0,0,0,2,0|2,0,0]=4 2672 B7R0.16 N[C@H](C(=O)N)C(C)C Amb16231400 [0,0,0,0,2,0|2,0,0]=4 2673 B7R0.16 OC(C(=O)O)C(C)C Amb2582547 [0,0,0,0,2,0|2,0,0]=4 2674 B7R0.16 O[C@@H](C(=O)O)C(C)C Amb10071589 [0,0,0,0,2,0|2,0,0]=4 2675 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](O)=O Amb22353590 [0,0,0,0,2,0|2,0,0]=4 2676 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](O)=O Amb22338876 [0,0,0,0,2,0|1,0,0]=3 2677 B7R0.16 [14CH3][14CH](O)[14CH](N)[14C](O)=O Amb22352529 [0,0,0,0,2,0|2,0,0]=4 2678 B9R0.4 C=CCCC(N)CC(O)=O Amb22641959 [1,0,0,0,0,1|1,0,1]=4 2679 B9R0.4 C=CCC[C@@H](CC(=O)O)N Amb10066917 [1,0,0,0,0,1|1,0,1]=4 2680 B9R0.4 C=CCC[C@H](CC(=O)O)N Amb10066925 [1,0,0,0,0,1|1,0,1]=4 2681 B9R0.4 CCCCC(CC(=O)O)N Amb1993866 [1,0,0,0,0,1|1,0,0]=3 2682 B9R0.4 CCCCC(N)CC(N)=O Amb24638916 [1,0,0,0,0,1|2,0,0]=4 2683 B9R0.4 CCCCC(O)CC(O)=O Amb22388888 [1,0,0,0,0,1|2,0,0]=4 2684 B9R0.4 CCCC[C@@H](O)CC(O)=O Amb24350627 [1,0,0,0,0,1|2,0,0]=4 2685 B9R0.4 CCCC[C@H](N)CC(N)=O Amb25147366 [1,0,0,0,0,1|2,0,0]=4 2686 B9R0.4 CNCCC(C)CC(O)=O Amb24694269 [1,0,0,0,0,1|2,0,0]=4 2687 B9R0.4 CNCC[C@@H](N)CC(O)=O Amb24117036 [1,0,0,0,0,1|1,0,0]=3 2688 B9R0.4 CNCC[C@H](N)CC(O)=O Amb25789535 [1,0,0,0,0,1|1,0,0]=3 2689 B9R0.4 COCCC(N)CC(C)=O Amb25147726 [1,0,0,0,0,1|1,1,0]=4 2690 B9R0.4 CSCCC(N)CC(O)=O Amb22353181 [1,0,0,0,0,1|0,0,1]=3 2691 B9R0.4 CSCCC(O)CC(O)=O Amb18798349 [1,0,0,0,0,1|1,0,1]=4 2692 B9R0.4 CSCC[C@@H](CC(=O)O)N Amb16184019 [1,0,0,0,0,1|0,0,1]=3 2693 B9R0.4 CSCC[C@H](N)CC(O)=O Amb22352993 [1,0,0,0,0,1|0,0,1]=3 2694 B9R0.4 NC(CCCS)CC(O)=O Amb24524306 [1,0,0,0,0,1|2,0,0]=4 2695 B9R0.4 NCCCC(N)CC(O)=O Amb18644278 [1,0,0,0,0,1|2,0,0]=4 2696 B9R0.4 NCCC[C@@H](N)CC(O)=O Amb24117039 [1,0,0,0,0,1|2,0,0]=4 2697 B9R0.4 NCCC[C@@H](N)CC(O)=O Amb24117927 [1,0,0,0,0,1|2,0,0]=4 2698 B9R0.4 NCCC[C@H](N)CC(O)=O Amb25757485 [1,0,0,0,0,1|2,0,0]=4 2699 B9R0.55 CC(=C)CCOCC(O)=O Amb18644114 [1,0,0,0,0,1|1,0,1]=4 2700 B9R0.55 CC(=O)CCSCC(O)=O Amb24443138 [1,0,0,0,0,1|2,0,0]=4 2701 B9R0.55 CC(=O)OCCCC(O)=O Amb24480808 [1,0,0,0,0,1|2,0,0]=4 2702 B9R0.55 CC(=O)OCCCN(C)C Amb24541474 [1,0,0,0,0,1|2,0,0]=4 2703 B9R0.55 CC(=O)SCCCN(C)C Amb25288482 [1,0,0,0,0,1|2,0,0]=4 2704 B9R0.55 CC(Br)=CCCCC(O)=O Amb25289201 [1,0,0,0,0,1|2,0,0]=4 2705 B9R0.55 CC(Br)CCCCC(O)=O Amb25309392 [1,0,0,0,0,1|2,0,0]=4 2706 B9R0.55 CC(C)=C=CCCC(O)=O Amb25758070 [1,0,0,0,0,1|1,0,1]=4 2707 B9R0.55 CC(C)=CCCCC(O)=O Amb18643939 [1,0,0,0,0,1|1,0,0]=3 2708 B9R0.55 CC(C)=CCOCC(O)=O Amb18644115 [1,0,0,0,0,1|1,0,1]=4 2709 B9R0.55 CC(C)CCCCC(=O)Cl Amb25067489 [1,0,0,0,0,1|2,0,0]=4 2710 B9R0.55 CC(C)CCCCC([O-])=O Amb22732968 [1,0,0,0,0,1|1,0,1]=4 2711 B9R0.55 CC(C)CCCNC(C)=O Amb25756283 [1,0,0,0,0,1|2,0,0]=4 2712 B9R0.55 CC(C)CCCOC(C)=O Amb24401009 [1,0,0,0,0,1|2,0,0]=4 2713 B9R0.55 CC(C)CCOCC(N)=O Amb25055946 [1,0,0,0,0,1|2,0,0]=4 2714 B9R0.55 CC(C)CONCC(O)=O Amb24740299 [1,0,0,0,0,1|2,0,0]=4 2715 B9R0.55 CC(C)CSCCC(N)=O Amb18798041 [1,0,0,0,0,1|2,0,0]=4 2716 B9R0.55 CC(C)C\C=C\CC(O)=O Amb24681011 [1,0,0,0,0,1|1,0,1]=4 2717 B9R0.55 CC(C)NCCCC(N)=O Amb25138205 [1,0,0,0,0,1|2,0,0]=4 2718 B9R0.55 CC(C)OCCCC(N)=O Amb25221235 [1,0,0,0,0,1|2,0,0]=4 2719 B9R0.55 CC(C)ONCCC(O)=O Amb24619964 [1,0,0,0,0,1|2,0,0]=4 2720 B9R0.55 CC(C)SCCCC(C)=O Amb18792293 [1,0,0,0,0,1|2,0,0]=4 2721 B9R0.55 CC(C)\C=C\CCC(O)=O Amb25082805 [1,0,0,0,0,1|1,0,1]=4 2722 B9R0.55 CC(CCCCC(=O)O)C Amb10576144 [1,0,0,0,0,1|1,0,0]=3 2723 B9R0.55 CC(CCNCC(=O)N)C Amb1112311 [1,0,0,0,0,1|2,0,0]=4 2724 B9R0.55 CC(CCNCC(=O)O)C Amb1111021 [1,0,0,0,0,1|1,0,0]=3 2725 B9R0.55 CC(CCSCC(=O)O)C Amb1137397 [1,0,0,0,0,1|1,0,0]=3 2726 B9R0.55 CC(CC\C=C\C(=O)O)C Amb17593603 [1,0,0,0,0,1|1,0,1]=4 2727 B9R0.55 CC(CNCCC(=O)O)C Amb10609230 [1,0,0,0,0,1|1,0,0]=3 2728 B9R0.55 CC(CNCCC(=O)O)C Amb2372367 [1,0,0,0,0,1|1,0,0]=3 2729 B9R0.55 CC(Cl)CCCCC(O)=O Amb18646185 [1,0,0,0,0,1|2,0,0]=4 2730 B9R0.55 CC(F)COCCC(O)=O Amb25268355 [1,0,0,0,0,1|2,0,0]=4 2731 B9R0.55 CC(N)CCCCC(O)=O Amb18644199 [1,0,0,0,0,1|2,0,0]=4 2732 B9R0.55 CC(N)CCCCC(O)=O Amb19515386 [1,0,0,0,0,1|2,0,0]=4 2733 B9R0.55 CC(N)CSCCC(O)=O Amb24435179 [1,0,0,0,0,1|2,0,0]=4 2734 B9R0.55 CC(NCCCC(=O)O)C Amb1111231 [1,0,0,0,0,1|1,0,0]=3 2735 B9R0.55 CC(O)CCCCC(O)=O Amb18644264 [1,0,0,0,0,1|2,0,0]=4 2736 B9R0.55 CC(O)CCNCC(O)=O Amb25369892 [1,0,0,0,0,1|2,0,0]=4 2737 B9R0.55 CC(O)COCCC(O)=O Amb24746704 [1,0,0,0,0,1|2,0,0]=4 2738 B9R0.55 CC(O)CSCCC(O)=O Amb18792572 [1,0,0,0,0,1|2,0,0]=4 2739 B9R0.55 CN(C)CCCCC(N)=O Amb24715012 [1,0,0,0,0,1|2,0,0]=4 2740 B9R0.55 CN(C)CCCCC(O)=O Amb19275569 [1,0,0,0,0,1|1,0,0]=3 2741 B9R0.55 CN(C)CCCOC(=O)Cl Amb25216228 [1,0,0,0,0,1|2,0,0]=4 2742 B9R0.55 CN(C)CCCOC(N)=O Amb24383394 [1,0,0,0,0,1|2,0,0]=4 2743 B9R0.55 CN(C)CCOCC(N)=O Amb25688629 [1,0,0,0,0,1|2,0,0]=4 2744 B9R0.55 CN(C)CCOCC(O)=O Amb20667765 [1,0,0,0,0,1|1,0,0]=3 2745 B9R0.55 CN(C)CCOCC(O)=O Amb22059502 [1,0,0,0,0,1|1,0,0]=3 2746 B9R0.55 CN(C)CCSCC(N)=O Amb21983542 [1,0,0,0,0,1|2,0,0]=4 2747 B9R0.55 CN(CCCNC(=O)N)C Amb1125203 [1,0,0,0,0,1|2,0,0]=4 2748 B9R0.55 CN(CCCNC(=O)N)C Amb13951597 [1,0,0,0,0,1|2,0,0]=4 2749 B9R0.55 CN(CCSCC(=O)O)C Amb1138164 [1,0,0,0,0,1|1,0,0]=3 2750 B9R0.55 CP(=O)CCCCC(O)=O Amb25765822 [1,0,0,0,0,1|2,0,0]=4 2751 B9R0.55 CS(=O)CCCCC(O)=O Amb18788305 [1,0,0,0,0,1|1,0,1]=4 2752 B9R0.55 CS(=O)CCNCC(O)=O Amb24396496 [1,0,0,0,0,1|1,0,1]=4 2753 B9R0.55 CS(=O)CCOCC(O)=O Amb24600087 [1,0,0,0,0,1|1,0,1]=4 2754 B9R0.55 CS(=O)NCCCC(O)=O Amb24753135 [1,0,0,0,0,1|1,0,1]=4 2755 B9R0.55 C[C@@H](O)CCCCC(O)=O Amb24427549 [1,0,0,0,0,1|2,0,0]=4 2756 B9R0.55 C[C@H](N)CCCCC(O)=O Amb25229790 [1,0,0,0,0,1|2,0,0]=4 2757 B9R0.55 C[C@H](O)CCCCC(O)=O Amb24671333 [1,0,0,0,0,1|2,0,0]=4 2758 B9R0.55 OC(=O)CCCSC(C)C Amb17503621 [1,0,0,0,0,1|1,0,0]=3 2759 B11R0.6 CC(C)=CCC[C@@H](C)CC(O)=O Amb22338417 [0,0,0,0,0,2|2,0,0]=4 2760 B11R0.6 CC(C)=CCC[C@H](C)CC(O)=O Amb22336425 [0,0,0,0,0,2|2,0,0]=4 2761 B11R0.85 NC(CCC(=O)O)CCC(C)C Amb2229637 [0,0,0,0,0,2|1,0,0]=3 2762 B11R0.29 CC(=N)NCCC[C@@H](N)C(O)=O Amb19132784 [0,0,0,0,0,2|2,0,0]=4 2763 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22745261 [0,0,0,0,0,2|2,0,0]=4 2764 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22747127 [0,0,0,0,0,2|2,0,0]=4 2765 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb23438964 [0,0,0,0,0,2|2,0,0]=4 2766 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22231424 [0,0,0,0,0,2|2,0,0]=4 2767 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22349445 [0,0,0,0,0,2|2,0,0]=4