0 B7R0.5 C#CCC(=O)C(=O)O Amb27601316 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.5 C#CCC(C)C(=O)O Amb18633959 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 C#CCC(C)C(C)=O Amb27465169 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 C#CCC(F)C(C)=O Amb28249962 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.5 C#CCC(N)C(=O)O Amb19944472 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.5 C#CCC(N)C(=O)O Amb9721758 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.5 C#CCC(N)C(C)=O Amb27228190 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.5 C#CCC(N)C(C)O Amb35743443 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.5 C#CCC(N)C(N)=O Amb22059485 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.5 C#CCC(N)C(N)=O Amb33543329 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.5 C#CCC(N)[PH](=O)O Amb27838345 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.5 C#CCC(O)C(=O)O Amb27154881 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.5 C#CCC(O)C(C)=O Amb27442415 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 C#CC[C@@H](N)B(O)O Amb27826565 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.5 C#CC[C@@H](N)C(=O)O Amb16183954 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.5 C#CC[C@@H](N)C(=O)O Amb22748688 [0,0,0,0,0,0|1,0,1]=2 16 B7R0.5 C#CC[C@@H](N)C(N)=O Amb27473309 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.5 C#CC[C@H](C)C(=O)O Amb10844036 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.5 C#CC[C@H](N)C(=O)O Amb8396606 [0,0,0,0,0,0|1,0,1]=2 19 B7R0.5 C#CC[C@H](N)C(N)=O Amb28345609 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.5 C=C(C)C(Cl)CCC Amb28121399 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.5 C=C(C)C(N)CCO Amb27391185 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.5 C=C(C)C(O)CNC Amb24716760 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.5 C=C(C)C(O)COC Amb27662970 [0,0,0,0,0,0|3,1,0]=4 24 B7R0.5 C=C(C)C(O)CSC Amb27795952 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.5 C=C(CCC)C(=O)O Amb18641779 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.5 C=C(CCF)C(=O)O Amb33480692 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.5 C=C(CCN)C(=O)O Amb27267272 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.5 C=C(CCO)C(=O)O Amb27173904 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.5 C=C(COC)C(=O)O Amb26978134 [0,0,0,0,0,0|1,1,1]=3 30 B7R0.5 C=C(CSC)C(=O)O Amb26953041 [0,0,0,0,0,0|1,0,1]=2 31 B7R0.5 C=C(Cl)C(O)CSC Amb27660824 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.5 C=C(F)C(O)CCC Amb27833609 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.5 C=C(O)C(O)\C=C\C Amb28140639 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.5 C=CCC(=C)C(=O)O Amb18641687 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.5 C=CCC(=O)C(=O)O Amb25890017 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.5 C=CCC(Br)C(C)=O Amb27760403 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.5 C=CCC(C)C(C)=O Amb19373098 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.5 C=CCC(C)C(N)=O Amb27788519 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.5 C=CCC(Cl)C(=O)Cl Amb27463323 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.5 C=CCC(F)C(C)=O Amb19889753 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.5 C=CCC(N)C(=C)C Amb28316076 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.5 C=CCC(N)C(=O)Cl Amb27413912 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [0,0,0,0,0,0|1,0,1]=2 47 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [0,0,0,0,0,0|1,0,1]=2 48 B7R0.5 C=CCC(N)C(C)=O Amb27194092 [0,0,0,0,0,0|2,0,1]=3 49 B7R0.5 C=CCC(N)C(N)=O Amb26585896 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.5 C=CCC(O)C(C)=O Amb26451431 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [0,0,0,0,0,0|1,0,1]=2 52 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [0,0,0,0,0,0|1,0,1]=2 53 B7R0.5 C=CC[C@@H](N)C(N)=O Amb27838370 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.5 C=CC[C@H](C)C(C)=O Amb26641913 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.5 C=CC[C@H](N)C(=O)Cl Amb28120452 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [0,0,0,0,0,0|1,0,1]=2 57 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [0,0,0,0,0,0|1,0,1]=2 58 B7R0.5 CC#CC(C)C(=O)O Amb22748425 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.5 CC#CC(O)C(=O)O Amb27451308 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.5 CC#CC(O)C(C)=O Amb25950589 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.5 CC(=O)C(Br)CCBr Amb26442822 [0,0,0,0,0,0|4,0,0]=4 62 B7R0.5 CC(=O)C(Br)CCO Amb27858653 [0,0,0,0,0,0|4,0,0]=4 63 B7R0.5 CC(=O)C(C)CC#N Amb27403110 [0,0,0,0,0,0|4,0,0]=4 64 B7R0.5 CC(=O)C(C)CCBr Amb26849777 [0,0,0,0,0,0|4,0,0]=4 65 B7R0.5 CC(=O)C(C)CCCl Amb26326637 [0,0,0,0,0,0|4,0,0]=4 66 B7R0.5 CC(=O)C(C)CCO Amb13881368 [0,0,0,0,0,0|4,0,0]=4 67 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [0,0,0,0,0,0|4,0,0]=4 68 B7R0.5 CC(=O)C(Cl)CCBr Amb27259779 [0,0,0,0,0,0|4,0,0]=4 69 B7R0.5 CC(=O)C(Cl)CCCl Amb20671951 [0,0,0,0,0,0|4,0,0]=4 70 B7R0.5 CC(=O)C(Cl)CCO Amb4017890 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.5 CC(=O)C(F)CCBr Amb28429129 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.5 CC(=O)C(F)CCCl Amb27390864 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.5 CC(=O)C(N)CCO Amb25087112 [0,0,0,0,0,0|3,0,0]=3 74 B7R0.5 CC(=O)C(S)CCO Amb25831127 [0,0,0,0,0,0|4,0,0]=4 75 B7R0.5 CC(=O)[C@@H](C)CC#N Amb26887655 [0,0,0,0,0,0|4,0,0]=4 76 B7R0.5 CC(=O)[C@@H](N)CCO Amb28410323 [0,0,0,0,0,0|3,0,0]=3 77 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [0,0,0,0,0,0|4,0,0]=4 78 B7R0.5 CC(CC#N)C(=O)O Amb17334056 [0,0,0,0,0,0|3,0,0]=3 79 B7R0.5 CC(CC#N)C(N)=O Amb8944748 [0,0,0,0,0,0|4,0,0]=4 80 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [0,0,0,0,0,0|3,0,0]=3 81 B7R0.5 CC(CCBr)C(=O)Br Amb27948455 [0,0,0,0,0,0|4,0,0]=4 82 B7R0.5 CC(CCBr)C(=O)O Amb27409152 [0,0,0,0,0,0|3,0,0]=3 83 B7R0.5 CC(CCCl)C(=O)Cl Amb25744436 [0,0,0,0,0,0|4,0,0]=4 84 B7R0.5 CC(CCF)C(=O)O Amb24678386 [0,0,0,0,0,0|3,0,0]=3 85 B7R0.5 CC(CCN)C(=O)O Amb20667970 [0,0,0,0,0,0|3,0,0]=3 86 B7R0.5 CC(CCN)C(=O)O Amb538221 [0,0,0,0,0,0|3,0,0]=3 87 B7R0.5 CC(CCO)C(=O)O Amb18641949 [0,0,0,0,0,0|3,0,0]=3 88 B7R0.5 CC(CCO)C(=O)[O-] Amb33330478 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.5 CC(CCO)C(N)=O Amb28280962 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.5 CC(CNO)C(=O)O Amb28315956 [0,0,0,0,0,0|3,0,0]=3 91 B7R0.5 CC(CSS)C(=O)O Amb27437183 [0,0,0,0,0,0|2,0,0]=2 92 B7R0.5 CC(N=C=O)C(=O)O Amb33471295 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.5 CC(N=C=S)C(=O)O Amb25945785 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.5 CC(N=[N+]=[N-])C(=O)O Amb27202649 [0,0,0,0,0,0|4,0,0]=4 95 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [0,0,0,0,0,0|4,0,0]=4 96 B7R0.5 CC(NCO)C(=O)O Amb27468253 [0,0,0,0,0,0|4,0,0]=4 97 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [0,0,0,0,0,0|4,0,0]=4 98 B7R0.5 CC(\N=N\O)C(=O)O Amb28251041 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.5 CCCC(=O)C(=O)O Amb22347924 [0,0,0,0,0,0|2,0,1]=3 100 B7R0.5 CCCC(=O)C(C)=O Amb8517524 [0,0,0,0,0,0|3,0,1]=4 101 B7R0.5 CCCC(Br)C(=O)Cl Amb17569837 [0,0,0,0,0,0|3,0,0]=3 102 B7R0.5 CCCC(Br)C(=O)O Amb2795765 [0,0,0,0,0,0|2,0,0]=2 103 B7R0.5 CCCC(Br)C(C)=O Amb26870127 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.5 CCCC(Br)S(C)=O Amb27471989 [0,0,0,0,0,0|4,0,0]=4 105 B7R0.5 CCCC(C)C(=N)N Amb27810844 [0,0,0,0,0,0|4,0,0]=4 106 B7R0.5 CCCC(C)C(=N)N Amb33212650 [0,0,0,0,0,0|4,0,0]=4 107 B7R0.5 CCCC(C)C(=O)Cl Amb2689582 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.5 CCCC(C)C(=O)O Amb3938958 [0,0,0,0,0,0|2,0,0]=2 109 B7R0.5 CCCC(C)C(C)=O Amb4034597 [0,0,0,0,0,0|3,0,0]=3 110 B7R0.5 CCCC(C)C(C)O Amb4036337 [0,0,0,0,0,0|3,0,1]=4 111 B7R0.5 CCCC(C)C(N)=O Amb3886535 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.5 CCCC(C)C(N)=S Amb25138492 [0,0,0,0,0,0|3,1,0]=4 113 B7R0.5 CCCC(C)S(=O)Cl Amb32720536 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.5 CCCC(C)S(=O)[O-] Amb32754802 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.5 CCCC(C)S(N)=O Amb32720511 [0,0,0,0,0,0|4,0,0]=4 116 B7R0.5 CCCC(C)[C@@H](C)O Amb33322347 [0,0,0,0,0,0|3,0,1]=4 117 B7R0.5 CCCC(C)[C@H](C)O Amb33322346 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.5 CCCC(Cl)C(=O)O Amb17593470 [0,0,0,0,0,0|2,0,0]=2 119 B7R0.5 CCCC(F)C(=O)O Amb25842008 [0,0,0,0,0,0|2,0,0]=2 120 B7R0.5 CCCC(F)C(C)=O Amb28316211 [0,0,0,0,0,0|3,0,0]=3 121 B7R0.5 CCCC(F)C(N)=O Amb28127390 [0,0,0,0,0,0|3,0,0]=3 122 B7R0.5 CCCC(N)C(=N)N Amb27222841 [0,0,0,0,0,0|3,0,0]=3 123 B7R0.5 CCCC(N)C(=O)O Amb6262055 [0,0,0,0,0,0|1,0,0]=1 124 B7R0.5 CCCC(N)C(C)=O Amb27838289 [0,0,0,0,0,0|2,0,0]=2 125 B7R0.5 CCCC(N)C(C)C Amb9031899 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.5 CCCC(N)C(F)F Amb25355340 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.5 CCCC(N)C(N)=O Amb22284825 [0,0,0,0,0,0|2,0,0]=2 128 B7R0.5 CCCC(N)C(N)=O Amb9514970 [0,0,0,0,0,0|2,0,0]=2 129 B7R0.5 CCCC(N)C(N)=S Amb28121515 [0,0,0,0,0,0|2,1,0]=3 130 B7R0.5 CCCC(O)C(=N)N Amb27881736 [0,0,0,0,0,0|4,0,0]=4 131 B7R0.5 CCCC(O)C(=O)O Amb2818222 [0,0,0,0,0,0|2,0,0]=2 132 B7R0.5 CCCC(O)C(C)=O Amb22495823 [0,0,0,0,0,0|3,0,0]=3 133 B7R0.5 CCCC(O)C(N)=O Amb24116553 [0,0,0,0,0,0|3,0,0]=3 134 B7R0.5 CCCC(S)C(=O)O Amb18124440 [0,0,0,0,0,0|2,0,0]=2 135 B7R0.5 CCCN(C)C(=O)Cl Amb26478280 [0,0,0,0,0,0|4,0,0]=4 136 B7R0.5 CCCN(C)C(N)=O Amb8898960 [0,0,0,0,0,0|4,0,0]=4 137 B7R0.5 CCCN(N)C(C)=O Amb18641903 [0,0,0,0,0,0|3,0,0]=3 138 B7R0.5 CCCN(O)C(N)=O Amb28347092 [0,0,0,0,0,0|4,0,0]=4 139 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [0,0,0,0,0,0|2,0,0]=2 140 B7R0.5 CCC[C@@H](C)C(C)O Amb28187641 [0,0,0,0,0,0|3,0,1]=4 141 B7R0.5 CCC[C@@H](C)[C@@H](C)O Amb27181050 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.5 CCC[C@@H](Cl)C(=O)O Amb27266071 [0,0,0,0,0,0|2,0,0]=2 143 B7R0.5 CCC[C@@H](Cl)[C@H](C)O Amb27668868 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.5 CCC[C@@H](N)C(=O)O Amb8514700 [0,0,0,0,0,0|1,0,0]=1 145 B7R0.5 CCC[C@@H](N)C(C)=O Amb35659946 [0,0,0,0,0,0|2,0,0]=2 146 B7R0.5 CCC[C@@H](N)C(C)O Amb29849610 [0,0,0,0,0,0|2,0,1]=3 147 B7R0.5 CCC[C@@H](N)C(F)F Amb27806404 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [0,0,0,0,0,0|2,0,0]=2 149 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [0,0,0,0,0,0|2,0,0]=2 150 B7R0.5 CCC[C@@H](O)C(=O)O Amb22746731 [0,0,0,0,0,0|2,0,0]=2 151 B7R0.5 CCC[C@@H](O)[C@@H](C)O Amb27457775 [0,0,0,0,0,0|3,0,1]=4 152 B7R0.5 CCC[C@H](Br)C(=O)O Amb26515784 [0,0,0,0,0,0|2,0,0]=2 153 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [0,0,0,0,0,0|2,0,0]=2 154 B7R0.5 CCC[C@H](C)C(C)=O Amb27463637 [0,0,0,0,0,0|3,0,0]=3 155 B7R0.5 CCC[C@H](C)[C@H](C)O Amb28065150 [0,0,0,0,0,0|3,0,1]=4 156 B7R0.5 CCC[C@H](Cl)C(=O)O Amb27801931 [0,0,0,0,0,0|2,0,0]=2 157 B7R0.5 CCC[C@H](N)C(=O)O Amb30647420 [0,0,0,0,0,0|1,0,0]=1 158 B7R0.5 CCC[C@H](N)C(=O)O Amb8514701 [0,0,0,0,0,0|1,0,0]=1 159 B7R0.5 CCC[C@H](N)C(C)=O Amb35662324 [0,0,0,0,0,0|2,0,0]=2 160 B7R0.5 CCC[C@H](N)C(C)C Amb27229389 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.5 CCC[C@H](N)C(C)O Amb35664016 [0,0,0,0,0,0|2,0,1]=3 162 B7R0.5 CCC[C@H](N)C(F)F Amb28049026 [0,0,0,0,0,0|3,0,1]=4 163 B7R0.5 CCC[C@H](N)C(N)=O Amb26916392 [0,0,0,0,0,0|2,0,0]=2 164 B7R0.5 CCC[C@H](N)C(N)=O Amb33813498 [0,0,0,0,0,0|2,0,0]=2 165 B7R0.5 CCC[C@H](N)[C@H](C)O Amb27883481 [0,0,0,0,0,0|2,0,1]=3 166 B7R0.5 CCC[C@H](O)C(=O)O Amb22226514 [0,0,0,0,0,0|2,0,0]=2 167 B7R0.5 CCC[C@H](O)C(C)=O Amb25097084 [0,0,0,0,0,0|3,0,0]=3 168 B7R0.5 CCC[C@H](S)C(=O)O Amb28045752 [0,0,0,0,0,0|2,0,0]=2 169 B7R0.5 CCC\[N+](N)=C(/C)N Amb27207661 [0,0,0,0,0,0|4,0,0]=4 170 B7R0.5 CCNC(=O)C(=O)O Amb9303800 [0,0,0,0,0,0|3,0,1]=4 171 B7R0.5 CCNC(C)C(=O)O Amb33527634 [0,0,0,0,0,0|3,0,0]=3 172 B7R0.5 CCNC(C)C(=O)O Amb9326962 [0,0,0,0,0,0|3,0,0]=3 173 B7R0.5 CCNC(C)C(N)=O Amb21959648 [0,0,0,0,0,0|4,0,0]=4 174 B7R0.5 CCNC(C)C(N)=O Amb7758139 [0,0,0,0,0,0|4,0,0]=4 175 B7R0.5 CCNC(O)C(=O)O Amb27259098 [0,0,0,0,0,0|3,0,0]=3 176 B7R0.5 CCN[C@@H](C)C(=O)O Amb26579594 [0,0,0,0,0,0|3,0,0]=3 177 B7R0.5 CCN[C@H](C)C(=O)O Amb24351099 [0,0,0,0,0,0|3,0,0]=3 178 B7R0.5 CCOC(=O)C(=O)O Amb16192090 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.5 CCOC(C)C(=O)O Amb9725271 [0,0,0,0,0,0|3,0,0]=3 180 B7R0.5 CCOC(C)C(C)=O Amb9666103 [0,0,0,0,0,0|4,0,0]=4 181 B7R0.5 CCOC(C)C(N)=O Amb19960053 [0,0,0,0,0,0|4,0,0]=4 182 B7R0.5 CCOC(Cl)C(=O)Cl Amb27659279 [0,0,0,0,0,0|4,0,0]=4 183 B7R0.5 CCOC(Cl)C(N)=O Amb27468650 [0,0,0,0,0,0|4,0,0]=4 184 B7R0.5 CCOC(F)C(=O)O Amb27210743 [0,0,0,0,0,0|3,0,0]=3 185 B7R0.5 CCSC(=O)C(=O)O Amb28410577 [0,0,0,0,0,0|3,0,1]=4 186 B7R0.5 CCSC(C)C(=O)O Amb9721554 [0,0,0,0,0,0|3,0,0]=3 187 B7R0.5 CCSC(C)C(N)=O Amb27830179 [0,0,0,0,0,0|4,0,0]=4 188 B7R0.5 CCSC(Cl)C(C)=O Amb27862346 [0,0,0,0,0,0|4,0,0]=4 189 B7R0.5 CC\C=C(/C)C(=O)O Amb2689584 [0,0,0,0,0,0|2,0,2]=4 190 B7R0.5 CC\C=C(/F)C(=O)O Amb27968785 [0,0,0,0,0,0|2,0,2]=4 191 B7R0.5 CC\C=C(\C)C(=O)O Amb27233430 [0,0,0,0,0,0|2,0,2]=4 192 B7R0.5 CNCC(C)C(=N)N Amb28073850 [0,0,0,0,0,0|4,0,0]=4 193 B7R0.5 CNCC(C)C(=O)O Amb13952364 [0,0,0,0,0,0|2,0,0]=2 194 B7R0.5 CNCC(C)C(=O)O Amb9400281 [0,0,0,0,0,0|2,0,0]=2 195 B7R0.5 CNCC(C)C(N)=O Amb8943991 [0,0,0,0,0,0|3,0,0]=3 196 B7R0.5 CNCC(C)N(C)O Amb28364294 [0,0,0,0,0,0|4,0,0]=4 197 B7R0.5 CNCC(N)C(=O)O Amb10845350 [0,0,0,0,0,0|1,0,0]=1 198 B7R0.5 CNCC(N)C(C)C Amb18290164 [0,0,0,0,0,0|3,0,1]=4 199 B7R0.5 CNCC(O)C(=O)O Amb26894610 [0,0,0,0,0,0|2,0,0]=2 200 B7R0.5 CNC[C@H](N)C(=O)O Amb17617148 [0,0,0,0,0,0|1,0,0]=1 201 B7R0.5 CNC[C@H](N)C(=O)O Amb19892230 [0,0,0,0,0,0|1,0,0]=1 202 B7R0.5 CN\N=C(/C)C(=O)O Amb27489531 [0,0,0,0,0,0|3,0,1]=4 203 B7R0.5 COCC(=O)C(C)=O Amb24694271 [0,0,0,0,0,0|2,1,1]=4 204 B7R0.5 COCC(Br)C(=O)Cl Amb27797270 [0,0,0,0,0,0|2,1,0]=3 205 B7R0.5 COCC(Br)C(=O)O Amb17594709 [0,0,0,0,0,0|1,1,0]=2 206 B7R0.5 COCC(C)C(=O)O Amb33545090 [0,0,0,0,0,0|1,1,0]=2 207 B7R0.5 COCC(C)C(C)=O Amb24683449 [0,0,0,0,0,0|2,1,0]=3 208 B7R0.5 COCC(C)C(C)O Amb24746662 [0,0,0,0,0,0|2,1,1]=4 209 B7R0.5 COCC(C)C(N)=O Amb27401584 [0,0,0,0,0,0|2,1,0]=3 210 B7R0.5 COCC(C)C(N)=S Amb9029622 [0,0,0,0,0,0|2,2,0]=4 211 B7R0.5 COCC(C)S(=O)Cl Amb26920252 [0,0,0,0,0,0|3,1,0]=4 212 B7R0.5 COCC(C)S(=O)[O-] Amb24481940 [0,0,0,0,0,0|2,1,1]=4 213 B7R0.5 COCC(C)S(N)=O Amb32720388 [0,0,0,0,0,0|3,1,0]=4 214 B7R0.5 COCC(Cl)C(=N)N Amb22493750 [0,0,0,0,0,0|3,1,0]=4 215 B7R0.5 COCC(Cl)C(=O)O Amb10068384 [0,0,0,0,0,0|1,1,0]=2 216 B7R0.5 COCC(N)C(=O)O Amb33551350 [0,0,0,0,0,0|0,1,0]=1 217 B7R0.5 COCC(N)C(=O)O Amb6752055 [0,0,0,0,0,0|0,1,0]=1 218 B7R0.5 COCC(N)C(C)=O Amb27468401 [0,0,0,0,0,0|1,1,0]=2 219 B7R0.5 COCC(N)C(C)C Amb18202679 [0,0,0,0,0,0|2,1,1]=4 220 B7R0.5 COCC(N)C(C)C Amb21954041 [0,0,0,0,0,0|2,1,1]=4 221 B7R0.5 COCC(N)C(C)O Amb18124266 [0,0,0,0,0,0|1,1,1]=3 222 B7R0.5 COCC(N)C(F)F Amb28457781 [0,0,0,0,0,0|2,1,1]=4 223 B7R0.5 COCC(N)C(N)=O Amb18984372 [0,0,0,0,0,0|1,1,0]=2 224 B7R0.5 COCC(N)C(N)=O Amb32693410 [0,0,0,0,0,0|1,1,0]=2 225 B7R0.5 COCC(O)C(=N)N Amb27444847 [0,0,0,0,0,0|3,1,0]=4 226 B7R0.5 COCC(O)C(=O)O Amb18124273 [0,0,0,0,0,0|1,1,0]=2 227 B7R0.5 COCC(O)C(N)=O Amb28069186 [0,0,0,0,0,0|2,1,0]=3 228 B7R0.5 COCC(S)C(=O)O Amb27763656 [0,0,0,0,0,0|1,1,0]=2 229 B7R0.5 COC[C@@H](C)C(=O)O Amb26599229 [0,0,0,0,0,0|1,1,0]=2 230 B7R0.5 COC[C@@H](N)C(=O)O Amb10604051 [0,0,0,0,0,0|0,1,0]=1 231 B7R0.5 COC[C@@H](N)C(=O)O Amb22744762 [0,0,0,0,0,0|0,1,0]=1 232 B7R0.5 COC[C@@H](N)C(C)C Amb17061638 [0,0,0,0,0,0|2,1,1]=4 233 B7R0.5 COC[C@@H](N)[C@H](C)O Amb27843279 [0,0,0,0,0,0|1,1,1]=3 234 B7R0.5 COC[C@H](C)C(=O)O Amb10844266 [0,0,0,0,0,0|1,1,0]=2 235 B7R0.5 COC[C@H](N)C(=O)O Amb33801358 [0,0,0,0,0,0|0,1,0]=1 236 B7R0.5 COC[C@H](N)C(=O)O Amb8515080 [0,0,0,0,0,0|0,1,0]=1 237 B7R0.5 COC[C@H](N)C(C)C Amb18016631 [0,0,0,0,0,0|2,1,1]=4 238 B7R0.5 COC[C@H](N)C(C)C Amb32411970 [0,0,0,0,0,0|2,1,1]=4 239 B7R0.5 COC[C@H](O)C(=O)O Amb27778843 [0,0,0,0,0,0|1,1,0]=2 240 B7R0.5 CONC(C)C(N)=O Amb27657313 [0,0,0,0,0,0|3,1,0]=4 241 B7R0.5 CON[C@@H](C)C(=O)O Amb27862116 [0,0,0,0,0,0|2,1,0]=3 242 B7R0.5 CO\C=C(/C)C(=O)O Amb18641867 [0,0,0,0,0,0|1,1,2]=4 243 B7R0.5 CO\C=C(/F)C(=O)O Amb28369284 [0,0,0,0,0,0|1,1,2]=4 244 B7R0.5 CO\C=C(\F)C(=O)O Amb22641708 [0,0,0,0,0,0|1,1,2]=4 245 B7R0.5 CO\C=C(\I)C(=O)O Amb27228187 [0,0,0,0,0,0|1,1,2]=4 246 B7R0.5 CO\C=C(\N)C(=O)O Amb27390812 [0,0,0,0,0,0|0,1,2]=3 247 B7R0.5 CO\N=C(/C)C(=O)O Amb28203933 [0,0,0,0,0,0|2,1,1]=4 248 B7R0.5 CSCC(C)C(=O)O Amb18967825 [0,0,0,0,0,0|1,0,0]=1 249 B7R0.5 CSCC(Cl)C(=O)Cl Amb27801927 [0,0,0,0,0,0|2,0,0]=2 250 B7R0.5 CSCC(Cl)C(=O)O Amb26878419 [0,0,0,0,0,0|1,0,0]=1 251 B7R0.5 CSCC(N)C(=O)O Amb33804791 [0,0,0,0,0,0|0,0,0]=0 252 B7R0.5 CSCC(N)C(=O)O Amb6280829 [0,0,0,0,0,0|0,0,0]=0 253 B7R0.5 CSCC(N)C(F)F Amb33413040 [0,0,0,0,0,0|2,0,1]=3 254 B7R0.5 CSCC(O)C(=O)O Amb25131873 [0,0,0,0,0,0|1,0,0]=1 255 B7R0.5 CSCC(O)C(C)=O Amb25983211 [0,0,0,0,0,0|2,0,0]=2 256 B7R0.5 CSCC(O)C(C)C Amb27401267 [0,0,0,0,0,0|3,0,1]=4 257 B7R0.5 CSCC(O)C(F)F Amb33411122 [0,0,0,0,0,0|3,0,1]=4 258 B7R0.5 CSCC(O)C(N)=O Amb27168145 [0,0,0,0,0,0|2,0,0]=2 259 B7R0.5 CSC[C@@H](C)C(=O)O Amb26047434 [0,0,0,0,0,0|1,0,0]=1 260 B7R0.5 CSC[C@@H](N)C(=O)O Amb9813743 [0,0,0,0,0,0|0,0,0]=0 261 B7R0.5 CSC[C@H](N)C(=O)O Amb6364886 [0,0,0,0,0,0|0,0,0]=0 262 B7R0.5 CSC[C@H](N)C(N)=O Amb27607700 [0,0,0,0,0,0|1,0,0]=1 263 B7R0.5 CS\C=C(/C)C(C)=O Amb24481401 [0,0,0,0,0,0|2,0,2]=4 264 B7R0.5 C[C@@H](CCF)C(=O)O Amb33744644 [0,0,0,0,0,0|3,0,0]=3 265 B7R0.5 C[C@@H](CCN)C(=O)O Amb10844043 [0,0,0,0,0,0|3,0,0]=3 266 B7R0.5 C[C@@H](N=C=O)C(=O)O Amb33189209 [0,0,0,0,0,0|4,0,0]=4 267 B7R0.5 C[C@@H](N=C=S)C(=O)O Amb33471579 [0,0,0,0,0,0|4,0,0]=4 268 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O Amb28325865 [0,0,0,0,0,0|4,0,0]=4 269 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O Amb32620194 [0,0,0,0,0,0|4,0,0]=4 270 B7R0.5 C[C@@H](NC#N)C(=O)O Amb35634494 [0,0,0,0,0,0|4,0,0]=4 271 B7R0.5 C[C@H](CCF)C(=O)O Amb33738115 [0,0,0,0,0,0|3,0,0]=3 272 B7R0.5 C[C@H](N=C=O)C(=O)O Amb33471333 [0,0,0,0,0,0|4,0,0]=4 273 B7R0.5 C[C@H](N=C=S)C(=O)O Amb33471562 [0,0,0,0,0,0|4,0,0]=4 274 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O Amb32620189 [0,0,0,0,0,0|4,0,0]=4 275 B7R0.5 C[C@H](NC#N)C(=O)O Amb30031667 [0,0,0,0,0,0|4,0,0]=4 276 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [0,0,0,0,0,0|4,0,0]=4 277 B7R0.5 C[C@H](NCO)C(=O)O Amb24401217 [0,0,0,0,0,0|4,0,0]=4 278 B7R0.5 C[Se]C[C@@H](N)C(=O)O Amb22745692 [0,0,0,0,0,0|0,1,0]=1 279 B7R0.5 C[Se]C[C@H](N)C(=O)O Amb10601626 [0,0,0,0,0,0|0,1,0]=1 280 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [0,0,0,0,0,0|2,0,1]=3 281 B7R0.5 C\C=C\C(C)C(C)=O Amb26585088 [0,0,0,0,0,0|3,0,1]=4 282 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [0,0,0,0,0,0|2,0,1]=3 283 B7R0.5 C\C=C\C(O)C(C)=O Amb25912951 [0,0,0,0,0,0|3,0,1]=4 284 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [0,0,0,0,0,0|1,0,1]=2 285 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [0,0,0,0,0,0|2,0,1]=3 286 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [0,0,0,0,0,0|2,0,1]=3 287 B7R0.5 N#CCC(N)C(=O)O Amb18641766 [0,0,0,0,0,0|2,0,0]=2 288 B7R0.5 N#CCC(N)C(N)=O Amb33308724 [0,0,0,0,0,0|3,0,0]=3 289 B7R0.5 N#CC[C@@H](N)C(=O)O Amb26397494 [0,0,0,0,0,0|2,0,0]=2 290 B7R0.5 N#CC[C@H](N)C(=O)O Amb16183916 [0,0,0,0,0,0|2,0,0]=2 291 B7R0.5 NC(=O)C(Br)CCCl Amb27954931 [0,0,0,0,0,0|4,0,0]=4 292 B7R0.5 NC(=O)C(N)CCF Amb24391278 [0,0,0,0,0,0|3,0,0]=3 293 B7R0.5 NC(=O)C(N)CCO Amb24481392 [0,0,0,0,0,0|3,0,0]=3 294 B7R0.5 NC(=O)C(N)CNO Amb27396201 [0,0,0,0,0,0|3,0,0]=3 295 B7R0.5 NC(CCBr)C(=O)O Amb21858417 [0,0,0,0,0,0|2,0,0]=2 296 B7R0.5 NC(CCCl)C(=O)O Amb28241385 [0,0,0,0,0,0|2,0,0]=2 297 B7R0.5 NC(CCF)C(=O)O Amb25889337 [0,0,0,0,0,0|2,0,0]=2 298 B7R0.5 NC(CCF)C(=O)O Amb28934889 [0,0,0,0,0,0|2,0,0]=2 299 B7R0.5 NC(CCO)C(=O)O Amb8514287 [0,0,0,0,0,0|2,0,0]=2 300 B7R0.5 NC(CCS)C(=O)O Amb19267093 [0,0,0,0,0,0|2,0,0]=2 301 B7R0.5 NC(CCS)C(=O)O Amb3499433 [0,0,0,0,0,0|2,0,0]=2 302 B7R0.5 NC(CCS)[PH](=O)O Amb27409002 [0,0,0,0,0,0|3,0,0]=3 303 B7R0.5 NC(CNO)C(=O)O Amb4092732 [0,0,0,0,0,0|2,0,0]=2 304 B7R0.5 NC(CO[SiH3])C(=O)O Amb27461306 [0,0,0,0,0,0|0,2,0]=2 305 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [0,0,0,0,0,0|2,0,1]=3 306 B7R0.5 NCCC(Br)C(=O)O Amb28128317 [0,0,0,0,0,0|3,0,0]=3 307 B7R0.5 NCCC(F)C(=O)O Amb10838221 [0,0,0,0,0,0|3,0,0]=3 308 B7R0.5 NCCC(F)C(=O)O Amb22229524 [0,0,0,0,0,0|3,0,0]=3 309 B7R0.5 NCCC(F)[PH](=O)O Amb27639139 [0,0,0,0,0,0|4,0,0]=4 310 B7R0.5 NCCC(N)C(=O)O Amb2697841 [0,0,0,0,0,0|2,0,0]=2 311 B7R0.5 NCCC(N)C(=O)O Amb8514694 [0,0,0,0,0,0|2,0,0]=2 312 B7R0.5 NCCC(O)C(=O)O Amb16232090 [0,0,0,0,0,0|3,0,0]=3 313 B7R0.5 NCCC(O)C(N)=O Amb28121985 [0,0,0,0,0,0|4,0,0]=4 314 B7R0.5 NCC[C@@H](F)C(=O)O Amb24055858 [0,0,0,0,0,0|3,0,0]=3 315 B7R0.5 NCC[C@@H](N)C(=O)O Amb16183852 [0,0,0,0,0,0|2,0,0]=2 316 B7R0.5 NCC[C@@H](N)C(=O)O Amb23438994 [0,0,0,0,0,0|2,0,0]=2 317 B7R0.5 NCC[C@@H](N)C(=O)O Amb8390364 [0,0,0,0,0,0|2,0,0]=2 318 B7R0.5 NCC[C@@H](N)C(N)=O Amb31031077 [0,0,0,0,0,0|3,0,0]=3 319 B7R0.5 NCC[C@@H](O)C(=O)O Amb22748225 [0,0,0,0,0,0|3,0,0]=3 320 B7R0.5 NCC[C@H](F)C(=O)O Amb24055857 [0,0,0,0,0,0|3,0,0]=3 321 B7R0.5 NCC[C@H](N)C(=O)O Amb16183862 [0,0,0,0,0,0|2,0,0]=2 322 B7R0.5 NCC[C@H](N)C(=O)O Amb2720151 [0,0,0,0,0,0|2,0,0]=2 323 B7R0.5 NCC[C@H](N)C(=O)O Amb33812683 [0,0,0,0,0,0|2,0,0]=2 324 B7R0.5 NCC[C@H](N)C(=O)O Amb9825390 [0,0,0,0,0,0|2,0,0]=2 325 B7R0.5 NCC[C@H](O)C(=O)O Amb8386099 [0,0,0,0,0,0|3,0,0]=3 326 B7R0.5 NCC[C@H](O)C(N)=O Amb27390493 [0,0,0,0,0,0|4,0,0]=4 327 B7R0.5 NNCC(O)C(=O)[O-] Amb27956514 [0,0,0,0,0,0|3,0,1]=4 328 B7R0.5 NOCC(N)C(=O)O Amb24184086 [0,0,0,0,0,0|1,1,0]=2 329 B7R0.5 N[C@@H](CCBr)C(=O)O Amb8515827 [0,0,0,0,0,0|2,0,0]=2 330 B7R0.5 N[C@@H](CCF)C(=O)O Amb26458628 [0,0,0,0,0,0|2,0,0]=2 331 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [0,0,0,0,0,0|2,0,0]=2 332 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [0,0,0,0,0,0|2,0,0]=2 333 B7R0.5 N[C@@H](CCS)C(=O)O Amb6600039 [0,0,0,0,0,0|2,0,0]=2 334 B7R0.5 N[C@@H](OCS)C(=O)O Amb27591629 [0,0,0,0,0,0|3,0,0]=3 335 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [0,0,0,0,0,0|2,0,1]=3 336 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [0,0,0,0,0,0|2,0,0]=2 337 B7R0.5 N[C@H](CCF)C(=O)O Amb27206623 [0,0,0,0,0,0|2,0,0]=2 338 B7R0.5 N[C@H](CCI)C(=O)O Amb27600675 [0,0,0,0,0,0|2,0,0]=2 339 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [0,0,0,0,0,0|2,0,0]=2 340 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [0,0,0,0,0,0|1,0,1]=2 341 B7R0.5 O=C(Cl)C(Br)CCBr Amb19930045 [0,0,0,0,0,0|4,0,0]=4 342 B7R0.5 O=C(Cl)C(Br)CCCl Amb26515711 [0,0,0,0,0,0|4,0,0]=4 343 B7R0.5 O=C(Cl)C(Cl)CSCl Amb28138021 [0,0,0,0,0,0|3,0,0]=3 344 B7R0.5 O=C(O)C(=O)CCF Amb33377241 [0,0,0,0,0,0|3,0,1]=4 345 B7R0.5 O=C(O)C(=O)CCO Amb25677024 [0,0,0,0,0,0|3,0,1]=4 346 B7R0.5 O=C(O)C(Br)CCBr Amb19889695 [0,0,0,0,0,0|3,0,0]=3 347 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [0,0,0,0,0,0|3,0,0]=3 348 B7R0.5 O=C(O)C(Cl)CCCl Amb18126030 [0,0,0,0,0,0|3,0,0]=3 349 B7R0.5 O=C(O)C(O)CCCl Amb27644540 [0,0,0,0,0,0|3,0,0]=3 350 B7R0.5 O=C(O)C(O)CCF Amb28071189 [0,0,0,0,0,0|3,0,0]=3 351 B7R0.5 O=C(O)C(O)CCO Amb24689942 [0,0,0,0,0,0|3,0,0]=3 352 B7R0.5 O=C(O)C(O)CNO Amb27405525 [0,0,0,0,0,0|3,0,0]=3 353 B7R0.5 O=C(O)C(S)CCS Amb27634893 [0,0,0,0,0,0|3,0,0]=3 354 B7R0.5 O=C(O)[C@@H](O)CCBr Amb27238673 [0,0,0,0,0,0|3,0,0]=3 355 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [0,0,0,0,0,0|3,0,1]=4 356 B7R0.5 [NH3+]CCC([NH3+])C(=O)[O-] Amb33513240 [0,0,0,0,0,0|2,0,2]=4 357 B6R0.1 C#CC(C)CSC Amb33271732 [1,0,0,0,0,0|2,0,1]=4 358 B6R0.1 C#CC(N)CCC Amb27392611 [1,0,0,0,0,0|2,0,1]=4 359 B6R0.1 C#CC(N)CCC Amb33329330 [1,0,0,0,0,0|2,0,1]=4 360 B6R0.1 C#CC(N)COC Amb25691561 [1,0,0,0,0,0|1,1,1]=4 361 B6R0.1 C#CC(N)CSC Amb26867955 [1,0,0,0,0,0|1,0,1]=3 362 B6R0.1 C#CC(O)CSC Amb27229535 [1,0,0,0,0,0|2,0,1]=4 363 B6R0.1 C#CCC(N)CO Amb25076788 [1,0,0,0,0,0|1,0,2]=4 364 B6R0.1 C#CCC(O)C=O Amb27838261 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.1 C#CC[C@@H](N)CO Amb32620173 [1,0,0,0,0,0|1,0,2]=4 366 B6R0.1 C#CC[C@H](N)CO Amb32620192 [1,0,0,0,0,0|1,0,2]=4 367 B6R0.1 C#C[C@@H](N)CCC Amb27467403 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.1 C=C(C=O)COC Amb28066424 [1,0,0,0,0,0|1,1,1]=4 369 B6R0.1 C=CC(=O)CSC Amb26974013 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.1 C=CC(C)CCC Amb4019542 [1,0,0,0,0,0|3,0,0]=4 371 B6R0.1 C=CC(C)CNC Amb18523792 [1,0,0,0,0,0|3,0,0]=4 372 B6R0.1 C=CC(C)CNC Amb32729380 [1,0,0,0,0,0|3,0,0]=4 373 B6R0.1 C=CC(N)CCC Amb27814468 [1,0,0,0,0,0|2,0,0]=3 374 B6R0.1 C=CC(N)CCO Amb22496689 [1,0,0,0,0,0|3,0,0]=4 375 B6R0.1 C=CC(N)COC Amb25252949 [1,0,0,0,0,0|1,1,0]=3 376 B6R0.1 C=CC(O)CCC Amb22002474 [1,0,0,0,0,0|3,0,0]=4 377 B6R0.1 C=CC(O)COC Amb26347976 [1,0,0,0,0,0|2,1,0]=4 378 B6R0.1 C=CC(O)CSC Amb25969067 [1,0,0,0,0,0|2,0,0]=3 379 B6R0.1 C=CCC(C)C=O Amb4358618 [1,0,0,0,0,0|2,0,1]=4 380 B6R0.1 C=CCC(N)CO Amb24745656 [1,0,0,0,0,0|1,0,2]=4 381 B6R0.1 C=CCC(N)CO Amb33548733 [1,0,0,0,0,0|1,0,2]=4 382 B6R0.1 C=CC[C@@H](N)C=C Amb27213303 [1,0,0,0,0,0|2,0,1]=4 383 B6R0.1 C=CC[C@@H](N)CO Amb24088744 [1,0,0,0,0,0|1,0,2]=4 384 B6R0.1 C=CC[C@@H](N)CO Amb27495413 [1,0,0,0,0,0|1,0,2]=4 385 B6R0.1 C=CC[C@H](C)C=O Amb28050198 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.1 C=CC[C@H](I)C=O Amb28042873 [1,0,0,0,0,0|2,0,1]=4 387 B6R0.1 C=CC[C@H](N)C=C Amb28313731 [1,0,0,0,0,0|2,0,1]=4 388 B6R0.1 C=CC[C@H](N)CO Amb24088875 [1,0,0,0,0,0|1,0,2]=4 389 B6R0.1 C=CC[C@H](N)CO Amb25732908 [1,0,0,0,0,0|1,0,2]=4 390 B6R0.1 C=C[C@H](N)CC#N Amb27860467 [1,0,0,0,0,0|3,0,0]=4 391 B6R0.1 C=C[C@H](N)COC Amb28069182 [1,0,0,0,0,0|1,1,0]=3 392 B6R0.1 CC(C=O)CCBr Amb18126359 [1,0,0,0,0,0|3,0,0]=4 393 B6R0.1 CC(C=O)CCF Amb33196124 [1,0,0,0,0,0|3,0,0]=4 394 B6R0.1 CC(C=O)CCO Amb28208492 [1,0,0,0,0,0|3,0,0]=4 395 B6R0.1 CCC(C)CSC Amb28293984 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.1 CCC(N)CNC Amb18290359 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.1 CCC(N)COC Amb33544938 [1,0,0,0,0,0|1,1,1]=4 398 B6R0.1 CCC(N)COC Amb3940014 [1,0,0,0,0,0|1,1,1]=4 399 B6R0.1 CCC(N)CSC Amb17485955 [1,0,0,0,0,0|1,0,1]=3 400 B6R0.1 CCCC(C)C=O Amb3939898 [1,0,0,0,0,0|2,0,0]=3 401 B6R0.1 CCCC(C)CO Amb8999036 [1,0,0,0,0,0|2,0,1]=4 402 B6R0.1 CCCC(Cl)C=O Amb18124277 [1,0,0,0,0,0|2,0,0]=3 403 B6R0.1 CCCC(Cl)CO Amb25950697 [1,0,0,0,0,0|2,0,1]=4 404 B6R0.1 CCCC(I)CO Amb27268581 [1,0,0,0,0,0|2,0,1]=4 405 B6R0.1 CCCC(N)C#N Amb1130677 [1,0,0,0,0,0|2,0,1]=4 406 B6R0.1 CCCC(N)C#N Amb7969786 [1,0,0,0,0,0|2,0,1]=4 407 B6R0.1 CCCC(N)CC Amb13951437 [1,0,0,0,0,0|2,0,1]=4 408 B6R0.1 CCCC(N)CC Amb8869707 [1,0,0,0,0,0|2,0,1]=4 409 B6R0.1 CCCC(N)CN Amb9380663 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.1 CCCC(N)CO Amb3940003 [1,0,0,0,0,0|1,0,1]=3 411 B6R0.1 CCCC(O)CO Amb8385613 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.1 CCCN(N)C=O Amb18121867 [1,0,0,0,0,0|2,0,0]=3 413 B6R0.1 CCC[C@@H](C)CO Amb22823174 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.1 CCC[C@@H](N)CF Amb33624250 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.1 CCC[C@@H](N)CO Amb22756532 [1,0,0,0,0,0|1,0,1]=3 416 B6R0.1 CCC[C@@H](N)CO Amb3941479 [1,0,0,0,0,0|1,0,1]=3 417 B6R0.1 CCC[C@H](C)C=O Amb28248332 [1,0,0,0,0,0|2,0,0]=3 418 B6R0.1 CCC[C@H](C)CO Amb27423081 [1,0,0,0,0,0|2,0,1]=4 419 B6R0.1 CCC[C@H](F)C=O Amb27644096 [1,0,0,0,0,0|2,0,0]=3 420 B6R0.1 CCC[C@H](N)C=O Amb27488589 [1,0,0,0,0,0|1,0,0]=2 421 B6R0.1 CCC[C@H](N)CF Amb27430280 [1,0,0,0,0,0|2,0,1]=4 422 B6R0.1 CCC[C@H](N)CO Amb33869036 [1,0,0,0,0,0|1,0,1]=3 423 B6R0.1 CCC[C@H](N)CO Amb3941480 [1,0,0,0,0,0|1,0,1]=3 424 B6R0.1 CCC\C(N)=N\O Amb19890174 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.1 CCC\C(N)=N\O Amb2724965 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.1 CCSC(C)C=O Amb28050282 [1,0,0,0,0,0|3,0,0]=4 427 B6R0.1 CC[C@@H](N)COC Amb22755736 [1,0,0,0,0,0|1,1,1]=4 428 B6R0.1 CC[C@@H](N)COC Amb24479069 [1,0,0,0,0,0|1,1,1]=4 429 B6R0.1 CC[C@H](N)COC Amb27601302 [1,0,0,0,0,0|1,1,1]=4 430 B6R0.1 CC[C@H](N)COC Amb33339278 [1,0,0,0,0,0|1,1,1]=4 431 B6R0.1 CC[C@H](N)CSC Amb27248591 [1,0,0,0,0,0|1,0,1]=3 432 B6R0.1 CC[C@H](O)CSC Amb28349605 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.1 CNC(C)CSC Amb18300373 [1,0,0,0,0,0|3,0,0]=4 434 B6R0.1 CNCC(C)CO Amb17569890 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.1 CNCC(F)CO Amb27953011 [1,0,0,0,0,0|2,0,1]=4 436 B6R0.1 CNCC(O)CO Amb535457 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.1 CNC[C@@H](O)CO Amb25691371 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.1 CNC[C@H](O)CO Amb28050008 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.1 CNC\C(N)=N\O Amb24648670 [1,0,0,0,0,0|2,0,1]=4 440 B6R0.1 COCC(C)C=O Amb33545315 [1,0,0,0,0,0|1,1,0]=3 441 B6R0.1 COCC(C)CO Amb33545253 [1,0,0,0,0,0|1,1,1]=4 442 B6R0.1 COCC(F)CO Amb28069627 [1,0,0,0,0,0|1,1,1]=4 443 B6R0.1 COCC(N)C#N Amb18957614 [1,0,0,0,0,0|1,1,1]=4 444 B6R0.1 COCC(N)C#N Amb28555341 [1,0,0,0,0,0|1,1,1]=4 445 B6R0.1 COCC(N)CN Amb24655567 [1,0,0,0,0,0|1,1,1]=4 446 B6R0.1 COCC(N)CO Amb28827629 [1,0,0,0,0,0|0,1,1]=3 447 B6R0.1 COCC(N)CO Amb8630413 [1,0,0,0,0,0|0,1,1]=3 448 B6R0.1 COCC(O)CO Amb8396813 [1,0,0,0,0,0|1,1,1]=4 449 B6R0.1 COC[C@@H](N)CF Amb35788510 [1,0,0,0,0,0|1,1,1]=4 450 B6R0.1 COC[C@@H](N)CF Amb35789440 [1,0,0,0,0,0|1,1,1]=4 451 B6R0.1 COC[C@@H](N)CO Amb31291244 [1,0,0,0,0,0|0,1,1]=3 452 B6R0.1 COC[C@@H](N)CO Amb8385867 [1,0,0,0,0,0|0,1,1]=3 453 B6R0.1 COC[C@@H](O)C=O Amb28132745 [1,0,0,0,0,0|1,1,0]=3 454 B6R0.1 COC[C@H](N)CF Amb35789441 [1,0,0,0,0,0|1,1,1]=4 455 B6R0.1 COC[C@H](N)CF Amb35789446 [1,0,0,0,0,0|1,1,1]=4 456 B6R0.1 COC[C@H](N)CN Amb27790030 [1,0,0,0,0,0|1,1,1]=4 457 B6R0.1 COC[C@H](N)CO Amb26597391 [1,0,0,0,0,0|0,1,1]=3 458 B6R0.1 COC[C@H](O)C=O Amb27838256 [1,0,0,0,0,0|1,1,0]=3 459 B6R0.1 COC\C(N)=N\O Amb8384549 [1,0,0,0,0,0|1,1,1]=4 460 B6R0.1 CSCC(=O)NO Amb28057751 [1,0,0,0,0,0|2,0,1]=4 461 B6R0.1 CSCC(C)C#N Amb26636150 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.1 CSCC(C)C=O Amb20621025 [1,0,0,0,0,0|1,0,0]=2 463 B6R0.1 CSCC(C)CBr Amb25861163 [1,0,0,0,0,0|2,0,1]=4 464 B6R0.1 CSCC(C)CCl Amb28398290 [1,0,0,0,0,0|2,0,1]=4 465 B6R0.1 CSCC(C)CN Amb18970333 [1,0,0,0,0,0|2,0,1]=4 466 B6R0.1 CSCC(C)CO Amb33530103 [1,0,0,0,0,0|1,0,1]=3 467 B6R0.1 CSCC(C)NN Amb27488619 [1,0,0,0,0,0|3,0,0]=4 468 B6R0.1 CSCC(C)ON Amb33271740 [1,0,0,0,0,0|3,0,0]=4 469 B6R0.1 CSCC(F)CN Amb33225456 [1,0,0,0,0,0|2,0,1]=4 470 B6R0.1 CSCC(N)CO Amb18642038 [1,0,0,0,0,0|0,0,1]=2 471 B6R0.1 CSCC(O)C=O Amb27438538 [1,0,0,0,0,0|1,0,0]=2 472 B6R0.1 CSCC(O)CBr Amb28133716 [1,0,0,0,0,0|2,0,1]=4 473 B6R0.1 CSCC(O)CCl Amb17593559 [1,0,0,0,0,0|2,0,1]=4 474 B6R0.1 CSCC(O)CF Amb26450105 [1,0,0,0,0,0|2,0,1]=4 475 B6R0.1 CSCC(O)CN Amb18523764 [1,0,0,0,0,0|2,0,1]=4 476 B6R0.1 CSCC(O)CO Amb26908305 [1,0,0,0,0,0|1,0,1]=3 477 B6R0.1 CSCC(S)CO Amb35752151 [1,0,0,0,0,0|1,0,1]=3 478 B6R0.1 CSC[C@@H](N)CO Amb24479894 [1,0,0,0,0,0|0,0,1]=2 479 B6R0.1 CSC[C@@H](O)CN Amb25220971 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.1 CSC[C@H](N)CO Amb27229163 [1,0,0,0,0,0|0,0,1]=2 481 B6R0.1 CSC[C@H](O)CN Amb25226300 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.1 CSC\C(N)=N\N Amb28458092 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.1 CSC\C(N)=N\O Amb8385720 [1,0,0,0,0,0|1,0,1]=3 484 B6R0.1 C[C@@H](C=O)CCO Amb27394744 [1,0,0,0,0,0|3,0,0]=4 485 B6R0.1 C[C@H](C=O)CCCl Amb28252660 [1,0,0,0,0,0|3,0,0]=4 486 B6R0.1 C[C@H](C=O)CCO Amb27260814 [1,0,0,0,0,0|3,0,0]=4 487 B6R0.1 N#CCC(O)C=O Amb28370523 [1,0,0,0,0,0|3,0,0]=4 488 B6R0.1 NC(C=O)CC=O Amb27872844 [1,0,0,0,0,0|2,0,0]=3 489 B6R0.1 NC(CO)CCCl Amb28072241 [1,0,0,0,0,0|2,0,1]=4 490 B6R0.1 NC(CO)CCF Amb25259782 [1,0,0,0,0,0|2,0,1]=4 491 B6R0.1 NC(CO)CCF Amb33204436 [1,0,0,0,0,0|2,0,1]=4 492 B6R0.1 NC(CO)CCO Amb27948796 [1,0,0,0,0,0|2,0,1]=4 493 B6R0.1 NC(CO)CCO Amb32666185 [1,0,0,0,0,0|2,0,1]=4 494 B6R0.1 NC(CO)CCP Amb27838196 [1,0,0,0,0,0|2,0,1]=4 495 B6R0.1 NCCC(O)C=O Amb25682881 [1,0,0,0,0,0|3,0,0]=4 496 B6R0.1 N[C@@H](CO)CCF Amb33196431 [1,0,0,0,0,0|2,0,1]=4 497 B6R0.1 N[C@@H](CO)CCO Amb26855089 [1,0,0,0,0,0|2,0,1]=4 498 B6R0.1 N[C@H](CO)CCF Amb33196432 [1,0,0,0,0,0|2,0,1]=4 499 B6R0.1 N[C@H](CO)CCO Amb33362376 [1,0,0,0,0,0|2,0,1]=4 500 B6R0.1 N[C@H](CO)CCO Amb6893747 [1,0,0,0,0,0|2,0,1]=4 501 B6R0.1 O=CC(Br)CCO Amb28206552 [1,0,0,0,0,0|3,0,0]=4 502 B6R0.1 O=CC(O)CCBr Amb27838276 [1,0,0,0,0,0|3,0,0]=4 503 B6R0.1 O=CC(O)CCO Amb27955546 [1,0,0,0,0,0|3,0,0]=4 504 B6R0.1 O=CCC(O)C=O Amb28071061 [1,0,0,0,0,0|3,0,0]=4 505 B6R0.1 O=C[C@H](O)CCBr Amb28399793 [1,0,0,0,0,0|3,0,0]=4 506 B6R0.1 OCC(O)CSO Amb28455081 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.1 [C-]#[N+]C(C)CSC Amb33271174 [1,0,0,0,0,0|3,0,0]=4 508 B6R0.3 C#CC(N)C(=O)O Amb28282694 [1,0,0,0,0,0|0,0,2]=3 509 B6R0.3 C#CC(O)C(=O)O Amb22731622 [1,0,0,0,0,0|1,0,2]=4 510 B6R0.3 C=C(Br)C(C)CC Amb22583745 [1,0,0,0,0,0|3,0,0]=4 511 B6R0.3 C=C(C)C(Cl)CC Amb27229374 [1,0,0,0,0,0|3,0,0]=4 512 B6R0.3 C=C(C)C(N)CO Amb26544297 [1,0,0,0,0,0|2,1,0]=4 513 B6R0.3 C=C(C)C(O)CC Amb26365874 [1,0,0,0,0,0|3,0,0]=4 514 B6R0.3 C=C(C)[C@@H](N)CO Amb25693320 [1,0,0,0,0,0|2,1,0]=4 515 B6R0.3 C=C(C)[C@H](N)CO Amb27174504 [1,0,0,0,0,0|2,1,0]=4 516 B6R0.3 C=C(CBr)C(=O)O Amb6296612 [1,0,0,0,0,0|2,0,1]=4 517 B6R0.3 C=C(CC)C(=O)Cl Amb22353554 [1,0,0,0,0,0|2,0,1]=4 518 B6R0.3 C=C(CC)C(=O)O Amb18639591 [1,0,0,0,0,0|1,0,1]=3 519 B6R0.3 C=C(CCl)C(=O)O Amb27851591 [1,0,0,0,0,0|2,0,1]=4 520 B6R0.3 C=C(CO)C(=O)O Amb18121817 [1,0,0,0,0,0|1,1,1]=4 521 B6R0.3 C=C(CS)C(=O)O Amb27263242 [1,0,0,0,0,0|1,0,1]=3 522 B6R0.3 C=C(OC)C(=O)O Amb18639906 [1,0,0,0,0,0|1,1,1]=4 523 B6R0.3 C=C(SC)C(=O)O Amb27882690 [1,0,0,0,0,0|1,0,1]=3 524 B6R0.3 C=C(SS)C(=O)O Amb27593809 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.3 C=CC(C)C(=O)O Amb21618706 [1,0,0,0,0,0|1,0,2]=4 526 B6R0.3 C=CC(Cl)C(=O)O Amb27216715 [1,0,0,0,0,0|1,0,2]=4 527 B6R0.3 C=CC(N)C(=O)O Amb20240543 [1,0,0,0,0,0|0,0,2]=3 528 B6R0.3 C=CC(O)C(=O)O Amb24061247 [1,0,0,0,0,0|1,0,2]=4 529 B6R0.3 C=CC(S)C(=O)O Amb28069741 [1,0,0,0,0,0|1,0,2]=4 530 B6R0.3 C=C[C@@H](C)C(=O)O Amb26350417 [1,0,0,0,0,0|1,0,2]=4 531 B6R0.3 C=C[C@@H](N)C(=O)O Amb22756048 [1,0,0,0,0,0|0,0,2]=3 532 B6R0.3 C=C[C@H](C)C(=O)O Amb25929549 [1,0,0,0,0,0|1,0,2]=4 533 B6R0.3 C=C[C@H](N)C(=O)O Amb2699113 [1,0,0,0,0,0|0,0,2]=3 534 B6R0.3 CC(=O)C(Br)CBr Amb27597612 [1,0,0,0,0,0|3,0,0]=4 535 B6R0.3 CC(=O)C(C)CCl Amb26477594 [1,0,0,0,0,0|3,0,0]=4 536 B6R0.3 CC(=O)C(C)CO Amb10844844 [1,0,0,0,0,0|2,1,0]=4 537 B6R0.3 CC(=O)C(Cl)CCl Amb27257955 [1,0,0,0,0,0|3,0,0]=4 538 B6R0.3 CC(=O)C(O)CO Amb26463044 [1,0,0,0,0,0|2,1,0]=4 539 B6R0.3 CC(=O)C([Na])CN Amb28423432 [1,0,0,0,0,0|3,0,0]=4 540 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [1,0,0,0,0,0|2,1,0]=4 541 B6R0.3 CC(=O)[C@H](N)CO Amb27451047 [1,0,0,0,0,0|1,1,0]=3 542 B6R0.3 CC(C#N)C(=O)O Amb17210512 [1,0,0,0,0,0|2,0,1]=4 543 B6R0.3 CC(C)C(N)CS Amb28289530 [1,0,0,0,0,0|2,0,1]=4 544 B6R0.3 CC(C=O)C(=O)O Amb27784775 [1,0,0,0,0,0|1,1,1]=4 545 B6R0.3 CC(CBr)C(=O)O Amb22002601 [1,0,0,0,0,0|2,0,0]=3 546 B6R0.3 CC(CCl)C(=O)O Amb18522181 [1,0,0,0,0,0|2,0,0]=3 547 B6R0.3 CC(CF)C(=O)O Amb24432331 [1,0,0,0,0,0|2,0,0]=3 548 B6R0.3 CC(CN)C(=O)O Amb2699128 [1,0,0,0,0,0|2,0,0]=3 549 B6R0.3 CC(CN)C(=O)O Amb6773978 [1,0,0,0,0,0|2,0,0]=3 550 B6R0.3 CC(CN)C(=O)O Amb8631418 [1,0,0,0,0,0|2,0,0]=3 551 B6R0.3 CC(CO)C(=O)O Amb8011522 [1,0,0,0,0,0|1,1,0]=3 552 B6R0.3 CC(NN)C(=O)O Amb18640367 [1,0,0,0,0,0|3,0,0]=4 553 B6R0.3 CC(O)C(C)CS Amb24334206 [1,0,0,0,0,0|2,0,1]=4 554 B6R0.3 CC(O)C(N)CN Amb19328774 [1,0,0,0,0,0|2,0,1]=4 555 B6R0.3 CC(O)C(N)CN Amb22059292 [1,0,0,0,0,0|2,0,1]=4 556 B6R0.3 CC(O)C(N)CO Amb17593100 [1,0,0,0,0,0|1,1,1]=4 557 B6R0.3 CC(O)C(N)CO Amb32666361 [1,0,0,0,0,0|1,1,1]=4 558 B6R0.3 CC(O)[C@H](N)CO Amb28050579 [1,0,0,0,0,0|1,1,1]=4 559 B6R0.3 CC(ON)C(=O)O Amb33038242 [1,0,0,0,0,0|2,1,0]=4 560 B6R0.3 CCC(=O)C(=O)Cl Amb27838251 [1,0,0,0,0,0|2,0,1]=4 561 B6R0.3 CCC(=O)C(=O)O Amb3940359 [1,0,0,0,0,0|1,0,1]=3 562 B6R0.3 CCC(=O)C(=O)[O-] Amb9825450 [1,0,0,0,0,0|1,0,2]=4 563 B6R0.3 CCC(=O)C(C)=O Amb8514604 [1,0,0,0,0,0|2,0,1]=4 564 B6R0.3 CCC(=O)C(N)=O Amb22011827 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.3 CCC(=S)C(=O)O Amb27872099 [1,0,0,0,0,0|1,0,1]=3 566 B6R0.3 CCC(Br)C(=O)Br Amb22002455 [1,0,0,0,0,0|2,0,0]=3 567 B6R0.3 CCC(Br)C(=O)Cl Amb17666758 [1,0,0,0,0,0|2,0,0]=3 568 B6R0.3 CCC(Br)C(=O)O Amb5716858 [1,0,0,0,0,0|1,0,0]=2 569 B6R0.3 CCC(Br)C(C)=O Amb24615269 [1,0,0,0,0,0|2,0,0]=3 570 B6R0.3 CCC(Br)C(N)=O Amb13952819 [1,0,0,0,0,0|2,0,0]=3 571 B6R0.3 CCC(Br)[N+](=O)[O-] Amb17673702 [1,0,0,0,0,0|2,0,1]=4 572 B6R0.3 CCC(C)B(O)O Amb10071974 [1,0,0,0,0,0|2,0,1]=4 573 B6R0.3 CCC(C)C(=N)N Amb6740564 [1,0,0,0,0,0|3,0,0]=4 574 B6R0.3 CCC(C)C(=N)N Amb8630181 [1,0,0,0,0,0|3,0,0]=4 575 B6R0.3 CCC(C)C(=O)Cl Amb3939259 [1,0,0,0,0,0|2,0,0]=3 576 B6R0.3 CCC(C)C(=O)O Amb9703224 [1,0,0,0,0,0|1,0,0]=2 577 B6R0.3 CCC(C)C(C)=O Amb4605996 [1,0,0,0,0,0|2,0,0]=3 578 B6R0.3 CCC(C)C(C)O Amb8513435 [1,0,0,0,0,0|2,0,1]=4 579 B6R0.3 CCC(C)C(N)=O Amb33548100 [1,0,0,0,0,0|2,0,0]=3 580 B6R0.3 CCC(C)C(N)=S Amb6740516 [1,0,0,0,0,0|2,1,0]=4 581 B6R0.3 CCC(C)C(O)O Amb27826789 [1,0,0,0,0,0|1,0,2]=4 582 B6R0.3 CCC(C)S(=O)Cl Amb27841595 [1,0,0,0,0,0|3,0,0]=4 583 B6R0.3 CCC(C)S(=O)[O-] Amb19893328 [1,0,0,0,0,0|2,0,1]=4 584 B6R0.3 CCC(C)S(N)=O Amb32756501 [1,0,0,0,0,0|3,0,0]=4 585 B6R0.3 CCC(C)[C@@H](C)O Amb27946951 [1,0,0,0,0,0|2,0,1]=4 586 B6R0.3 CCC(C)[C@H](C)O Amb28281014 [1,0,0,0,0,0|2,0,1]=4 587 B6R0.3 CCC(C)[N+](=O)[O-] Amb4036169 [1,0,0,0,0,0|2,0,1]=4 588 B6R0.3 CCC(Cl)C(=O)Br Amb28384077 [1,0,0,0,0,0|2,0,0]=3 589 B6R0.3 CCC(Cl)C(=O)Cl Amb22045230 [1,0,0,0,0,0|2,0,0]=3 590 B6R0.3 CCC(Cl)C(=O)O Amb4017887 [1,0,0,0,0,0|1,0,0]=2 591 B6R0.3 CCC(Cl)C(C)=O Amb24078713 [1,0,0,0,0,0|2,0,0]=3 592 B6R0.3 CCC(Cl)C(N)=O Amb21618713 [1,0,0,0,0,0|2,0,0]=3 593 B6R0.3 CCC(Cl)C(O)O Amb27400305 [1,0,0,0,0,0|1,0,2]=4 594 B6R0.3 CCC(Cl)[N+](=O)[O-] Amb4016590 [1,0,0,0,0,0|2,0,1]=4 595 B6R0.3 CCC(F)C(=N)N Amb32456109 [1,0,0,0,0,0|3,0,0]=4 596 B6R0.3 CCC(F)C(=O)O Amb25716167 [1,0,0,0,0,0|1,0,0]=2 597 B6R0.3 CCC(N)B(O)O Amb28367684 [1,0,0,0,0,0|1,0,1]=3 598 B6R0.3 CCC(N)C(=O)Cl Amb17593240 [1,0,0,0,0,0|1,0,0]=2 599 B6R0.3 CCC(N)C(=O)O Amb9729506 [1,0,0,0,0,0|0,0,0]=1 600 B6R0.3 CCC(N)C(C)C Amb10610298 [1,0,0,0,0,0|2,0,1]=4 601 B6R0.3 CCC(N)C(C)C Amb9031905 [1,0,0,0,0,0|2,0,1]=4 602 B6R0.3 CCC(N)C(C)Cl Amb27409375 [1,0,0,0,0,0|2,0,1]=4 603 B6R0.3 CCC(N)C(C)O Amb32662794 [1,0,0,0,0,0|1,0,1]=3 604 B6R0.3 CCC(N)C(C)O Amb8855230 [1,0,0,0,0,0|1,0,1]=3 605 B6R0.3 CCC(N)C(C)S Amb32788301 [1,0,0,0,0,0|1,1,1]=4 606 B6R0.3 CCC(N)C(F)F Amb28050189 [1,0,0,0,0,0|2,0,1]=4 607 B6R0.3 CCC(N)C(F)F Amb32661586 [1,0,0,0,0,0|2,0,1]=4 608 B6R0.3 CCC(N)C(N)=O Amb1914080 [1,0,0,0,0,0|1,0,0]=2 609 B6R0.3 CCC(N)C(N)=O Amb33528521 [1,0,0,0,0,0|1,0,0]=2 610 B6R0.3 CCC(N)C(N)O Amb28348585 [1,0,0,0,0,0|1,0,1]=3 611 B6R0.3 CCC(N)N(C)C Amb24480382 [1,0,0,0,0,0|3,0,0]=4 612 B6R0.3 CCC(N)P(=O)=O Amb27786328 [1,0,0,0,0,0|1,0,1]=3 613 B6R0.3 CCC(O)C(=N)N Amb33321504 [1,0,0,0,0,0|3,0,0]=4 614 B6R0.3 CCC(O)C(=O)O Amb6609018 [1,0,0,0,0,0|1,0,0]=2 615 B6R0.3 CCC(O)C(=O)[O-] Amb17943026 [1,0,0,0,0,0|1,0,1]=3 616 B6R0.3 CCC(O)C(C)=O Amb25336501 [1,0,0,0,0,0|2,0,0]=3 617 B6R0.3 CCC(O)C(C)O Amb2227553 [1,0,0,0,0,0|2,0,1]=4 618 B6R0.3 CCC(O)C(N)=O Amb24116514 [1,0,0,0,0,0|2,0,0]=3 619 B6R0.3 CCC(O)C(N)=S Amb23449332 [1,0,0,0,0,0|2,1,0]=4 620 B6R0.3 CCC(O)S(=O)[O-] Amb27166943 [1,0,0,0,0,0|2,0,1]=4 621 B6R0.3 CCC(S)C(=O)O Amb17501370 [1,0,0,0,0,0|1,0,0]=2 622 B6R0.3 CCC(S)C(C)=O Amb8393170 [1,0,0,0,0,0|2,0,0]=3 623 B6R0.3 CCN(C)C(=O)Cl Amb8390927 [1,0,0,0,0,0|3,0,0]=4 624 B6R0.3 CCN(C)C(C)=O Amb22753516 [1,0,0,0,0,0|3,0,0]=4 625 B6R0.3 CCN(N)C(=N)N Amb28207703 [1,0,0,0,0,0|3,0,0]=4 626 B6R0.3 CCN(N)C(C)=O Amb18639976 [1,0,0,0,0,0|2,0,0]=3 627 B6R0.3 CCN(N)C(N)=O Amb28184355 [1,0,0,0,0,0|2,0,0]=3 628 B6R0.3 CCN(O)C(C)=O Amb27652499 [1,0,0,0,0,0|3,0,0]=4 629 B6R0.3 CC[C@@H](Br)C(=O)O Amb9785161 [1,0,0,0,0,0|1,0,0]=2 630 B6R0.3 CC[C@@H](C)B(O)O Amb27784066 [1,0,0,0,0,0|2,0,1]=4 631 B6R0.3 CC[C@@H](C)C(=O)O Amb8384578 [1,0,0,0,0,0|1,0,0]=2 632 B6R0.3 CC[C@@H](C)C(C)=O Amb28283799 [1,0,0,0,0,0|2,0,0]=3 633 B6R0.3 CC[C@@H](C)[C@@H](C)O Amb27448466 [1,0,0,0,0,0|2,0,1]=4 634 B6R0.3 CC[C@@H](Cl)C(=O)Cl Amb27985877 [1,0,0,0,0,0|2,0,0]=3 635 B6R0.3 CC[C@@H](Cl)C(=O)O Amb22800493 [1,0,0,0,0,0|1,0,0]=2 636 B6R0.3 CC[C@@H](Cl)C(N)=O Amb24579535 [1,0,0,0,0,0|2,0,0]=3 637 B6R0.3 CC[C@@H](N)C(=O)O Amb16233349 [1,0,0,0,0,0|0,0,0]=1 638 B6R0.3 CC[C@@H](N)C(=O)O Amb3940761 [1,0,0,0,0,0|0,0,0]=1 639 B6R0.3 CC[C@@H](N)C(C)=O Amb35594875 [1,0,0,0,0,0|1,0,0]=2 640 B6R0.3 CC[C@@H](N)C(C)C Amb24480517 [1,0,0,0,0,0|2,0,1]=4 641 B6R0.3 CC[C@@H](N)C(C)C Amb32665143 [1,0,0,0,0,0|2,0,1]=4 642 B6R0.3 CC[C@@H](N)C(C)O Amb28280672 [1,0,0,0,0,0|1,0,1]=3 643 B6R0.3 CC[C@@H](N)C(N)=O Amb22232290 [1,0,0,0,0,0|1,0,0]=2 644 B6R0.3 CC[C@@H](N)C(N)=O Amb22899979 [1,0,0,0,0,0|1,0,0]=2 645 B6R0.3 CC[C@@H](N)[C@@H](C)O Amb24117050 [1,0,0,0,0,0|1,0,1]=3 646 B6R0.3 CC[C@@H](O)C(=O)O Amb22369401 [1,0,0,0,0,0|1,0,0]=2 647 B6R0.3 CC[C@@H](O)C(N)=O Amb27792606 [1,0,0,0,0,0|2,0,0]=3 648 B6R0.3 CC[C@H](Br)C(=O)O Amb20242441 [1,0,0,0,0,0|1,0,0]=2 649 B6R0.3 CC[C@H](C)B(O)O Amb25746615 [1,0,0,0,0,0|2,0,1]=4 650 B6R0.3 CC[C@H](C)C(=O)Cl Amb26463969 [1,0,0,0,0,0|2,0,0]=3 651 B6R0.3 CC[C@H](C)C(=O)O Amb8514667 [1,0,0,0,0,0|1,0,0]=2 652 B6R0.3 CC[C@H](C)C(N)=O Amb27440802 [1,0,0,0,0,0|2,0,0]=3 653 B6R0.3 CC[C@H](Cl)C(=O)O Amb25190040 [1,0,0,0,0,0|1,0,0]=2 654 B6R0.3 CC[C@H](N)C(=O)O Amb2694208 [1,0,0,0,0,0|0,0,0]=1 655 B6R0.3 CC[C@H](N)C(=O)O Amb8631089 [1,0,0,0,0,0|0,0,0]=1 656 B6R0.3 CC[C@H](N)C(C)=O Amb29849605 [1,0,0,0,0,0|1,0,0]=2 657 B6R0.3 CC[C@H](N)C(C)C Amb27975596 [1,0,0,0,0,0|2,0,1]=4 658 B6R0.3 CC[C@H](N)C(C)C Amb31291137 [1,0,0,0,0,0|2,0,1]=4 659 B6R0.3 CC[C@H](N)C(F)F Amb28073533 [1,0,0,0,0,0|2,0,1]=4 660 B6R0.3 CC[C@H](N)C(N)=O Amb8387112 [1,0,0,0,0,0|1,0,0]=2 661 B6R0.3 CC[C@H](N)C(N)=O Amb8395789 [1,0,0,0,0,0|1,0,0]=2 662 B6R0.3 CC[C@H](N)[C@@H](C)O Amb24117049 [1,0,0,0,0,0|1,0,1]=3 663 B6R0.3 CC[C@H](O)C(=O)O Amb4166324 [1,0,0,0,0,0|1,0,0]=2 664 B6R0.3 CC[C@H](O)[C@@H](C)O Amb27972258 [1,0,0,0,0,0|2,0,1]=4 665 B6R0.3 CC[C@H](O)[C@H](C)O Amb27664238 [1,0,0,0,0,0|2,0,1]=4 666 B6R0.3 CC[C@H](S)C(=O)O Amb9785162 [1,0,0,0,0,0|1,0,0]=2 667 B6R0.3 CNC(=O)C(=O)O Amb2691295 [1,0,0,0,0,0|2,0,1]=4 668 B6R0.3 CNC(C)C(=O)O Amb19373699 [1,0,0,0,0,0|2,0,0]=3 669 B6R0.3 CNC(C)C(=O)O Amb9271766 [1,0,0,0,0,0|2,0,0]=3 670 B6R0.3 CNC(C)C(C)=O Amb24369529 [1,0,0,0,0,0|3,0,0]=4 671 B6R0.3 CNC(C)C(N)=O Amb33527202 [1,0,0,0,0,0|3,0,0]=4 672 B6R0.3 CNC(C)C(N)=O Amb7758120 [1,0,0,0,0,0|3,0,0]=4 673 B6R0.3 CNC(O)C(=O)O Amb27229907 [1,0,0,0,0,0|2,0,0]=3 674 B6R0.3 CN[C@@H](C)C(=O)O Amb16233347 [1,0,0,0,0,0|2,0,0]=3 675 B6R0.3 CN[C@@H](C)C(=O)O Amb16233348 [1,0,0,0,0,0|2,0,0]=3 676 B6R0.3 CN[C@@H](C)C(N)=O Amb22587575 [1,0,0,0,0,0|3,0,0]=4 677 B6R0.3 CN[C@@H](C)C(N)=O Amb23385296 [1,0,0,0,0,0|3,0,0]=4 678 B6R0.3 CN[C@H](C)C(=O)O Amb10844859 [1,0,0,0,0,0|2,0,0]=3 679 B6R0.3 CN[C@H](C)C(N)=O Amb22586632 [1,0,0,0,0,0|3,0,0]=4 680 B6R0.3 CN[C@H](C)C(N)=O Amb23385292 [1,0,0,0,0,0|3,0,0]=4 681 B6R0.3 COC(=O)C(=O)O Amb33545007 [1,0,0,0,0,0|1,1,1]=4 682 B6R0.3 COC(Br)C(=O)O Amb27439128 [1,0,0,0,0,0|1,1,0]=3 683 B6R0.3 COC(Br)C(C)=O Amb25360111 [1,0,0,0,0,0|2,1,0]=4 684 B6R0.3 COC(C)C(=O)Cl Amb26005661 [1,0,0,0,0,0|2,1,0]=4 685 B6R0.3 COC(C)C(=O)O Amb9729215 [1,0,0,0,0,0|1,1,0]=3 686 B6R0.3 COC(C)C(C)=O Amb9666021 [1,0,0,0,0,0|2,1,0]=4 687 B6R0.3 COC(C)C(N)=O Amb6541307 [1,0,0,0,0,0|2,1,0]=4 688 B6R0.3 COC(Cl)C(=O)O Amb28280799 [1,0,0,0,0,0|1,1,0]=3 689 B6R0.3 COC(Cl)C(C)=O Amb28118971 [1,0,0,0,0,0|2,1,0]=4 690 B6R0.3 COC(F)C(=O)O Amb27764863 [1,0,0,0,0,0|1,1,0]=3 691 B6R0.3 COC(F)C(=O)[O-] Amb33447021 [1,0,0,0,0,0|1,1,1]=4 692 B6R0.3 COC(O)C(C)=O Amb27954086 [1,0,0,0,0,0|2,1,0]=4 693 B6R0.3 CO[C@@H](C)C(=O)Cl Amb26562182 [1,0,0,0,0,0|2,1,0]=4 694 B6R0.3 CO[C@@H](C)C(=O)O Amb8515766 [1,0,0,0,0,0|1,1,0]=3 695 B6R0.3 CO[C@@H](C)C(N)=O Amb8515768 [1,0,0,0,0,0|2,1,0]=4 696 B6R0.3 CO[C@H](C)C(=O)Cl Amb27588755 [1,0,0,0,0,0|2,1,0]=4 697 B6R0.3 CO[C@H](C)C(=O)O Amb8515771 [1,0,0,0,0,0|1,1,0]=3 698 B6R0.3 CO[C@H](C)C(N)=O Amb17617080 [1,0,0,0,0,0|2,1,0]=4 699 B6R0.3 CSC(=O)C(C)=O Amb27861244 [1,0,0,0,0,0|2,0,1]=4 700 B6R0.3 CSC(=S)C(N)=O Amb28128369 [1,0,0,0,0,0|2,0,1]=4 701 B6R0.3 CSC(C)C(=O)O Amb6274567 [1,0,0,0,0,0|1,0,0]=2 702 B6R0.3 CSC(C)C(C)O Amb33550763 [1,0,0,0,0,0|2,0,1]=4 703 B6R0.3 CSC(C)C(N)=O Amb28047863 [1,0,0,0,0,0|2,0,0]=3 704 B6R0.3 CSC(Cl)C(=O)Cl Amb27392297 [1,0,0,0,0,0|2,0,0]=3 705 B6R0.3 CSC(Cl)C(O)O Amb27392286 [1,0,0,0,0,0|1,0,2]=4 706 B6R0.3 CSC(N)C(=O)O Amb28383509 [1,0,0,0,0,0|0,0,0]=1 707 B6R0.3 CSC(N)N(C)C Amb28118598 [1,0,0,0,0,0|3,0,0]=4 708 B6R0.3 CS[C@@H](C)[C@H](C)O Amb27765798 [1,0,0,0,0,0|2,0,1]=4 709 B6R0.3 CS[C@H](C)C(=O)O Amb26611205 [1,0,0,0,0,0|1,0,0]=2 710 B6R0.3 C[C@@H](CF)C(=O)O Amb33743265 [1,0,0,0,0,0|2,0,0]=3 711 B6R0.3 C[C@@H](CI)C(=O)O Amb28322539 [1,0,0,0,0,0|2,0,0]=3 712 B6R0.3 C[C@@H](CN)C(=O)O Amb22756746 [1,0,0,0,0,0|2,0,0]=3 713 B6R0.3 C[C@@H](CN)C(=O)O Amb6600138 [1,0,0,0,0,0|2,0,0]=3 714 B6R0.3 C[C@@H](CO)C(=O)O Amb10844567 [1,0,0,0,0,0|1,1,0]=3 715 B6R0.3 C[C@@H](CO)C(N)=O Amb27254152 [1,0,0,0,0,0|2,1,0]=4 716 B6R0.3 C[C@@H](O)[C@@H](N)CO Amb4493367 [1,0,0,0,0,0|1,1,1]=4 717 B6R0.3 C[C@@H](O)[C@H](N)CN Amb19374892 [1,0,0,0,0,0|2,0,1]=4 718 B6R0.3 C[C@@H](O)[C@H](N)CO Amb32661654 [1,0,0,0,0,0|1,1,1]=4 719 B6R0.3 C[C@@H](O)[C@H](N)CO Amb4489737 [1,0,0,0,0,0|1,1,1]=4 720 B6R0.3 C[C@@H](ON)C(=O)O Amb27169414 [1,0,0,0,0,0|2,1,0]=4 721 B6R0.3 C[C@@H](ON)C(=O)O Amb33620846 [1,0,0,0,0,0|2,1,0]=4 722 B6R0.3 C[C@H](CBr)C(=O)O Amb27975404 [1,0,0,0,0,0|2,0,0]=3 723 B6R0.3 C[C@H](CCl)C(=O)Cl Amb22225324 [1,0,0,0,0,0|3,0,0]=4 724 B6R0.3 C[C@H](CF)C(=O)O Amb33727262 [1,0,0,0,0,0|2,0,0]=3 725 B6R0.3 C[C@H](CN)C(=O)O Amb10844022 [1,0,0,0,0,0|2,0,0]=3 726 B6R0.3 C[C@H](CN)C(=O)O Amb24117452 [1,0,0,0,0,0|2,0,0]=3 727 B6R0.3 C[C@H](CO)C(=O)O Amb10844554 [1,0,0,0,0,0|1,1,0]=3 728 B6R0.3 C[C@H](NBr)C(=O)O Amb28050211 [1,0,0,0,0,0|3,0,0]=4 729 B6R0.3 C[C@H](NN)C(=O)O Amb28247936 [1,0,0,0,0,0|3,0,0]=4 730 B6R0.3 C[C@H](O)[C@@H](N)CO Amb8516107 [1,0,0,0,0,0|1,1,1]=4 731 B6R0.3 C[C@H](O)[C@H](N)CO Amb24479858 [1,0,0,0,0,0|1,1,1]=4 732 B6R0.3 C[C@H](ON)C(=O)O Amb25853808 [1,0,0,0,0,0|2,1,0]=4 733 B6R0.3 C[C@H](ON)C(=O)O Amb33620847 [1,0,0,0,0,0|2,1,0]=4 734 B6R0.3 C\C=C(/Br)C(=O)O Amb18646193 [1,0,0,0,0,0|1,0,2]=4 735 B6R0.3 C\C=C(/C)C(=O)O Amb33723768 [1,0,0,0,0,0|1,0,2]=4 736 B6R0.3 C\C=C(/F)C(=O)O Amb32663762 [1,0,0,0,0,0|1,0,2]=4 737 B6R0.3 C\C=C(/O)C(=O)O Amb22727962 [1,0,0,0,0,0|1,0,2]=4 738 B6R0.3 C\C=C(\Br)C(=O)O Amb4014486 [1,0,0,0,0,0|1,0,2]=4 739 B6R0.3 C\C=C(\C)C(=O)O Amb3445181 [1,0,0,0,0,0|1,0,2]=4 740 B6R0.3 C\C=C(\Cl)C(=O)O Amb28073985 [1,0,0,0,0,0|1,0,2]=4 741 B6R0.3 C\C=C(\I)C(=O)O Amb27841305 [1,0,0,0,0,0|1,0,2]=4 742 B6R0.3 N#CC(N)C(=O)O Amb25328320 [1,0,0,0,0,0|1,0,1]=3 743 B6R0.3 N#CC(N)C(N)=O Amb33544806 [1,0,0,0,0,0|2,0,1]=4 744 B6R0.3 N#CC(O)C(=O)O Amb27467286 [1,0,0,0,0,0|2,0,1]=4 745 B6R0.3 NC(=O)C(Br)CBr Amb8390579 [1,0,0,0,0,0|3,0,0]=4 746 B6R0.3 NC(=O)C(Cl)CCl Amb22228204 [1,0,0,0,0,0|3,0,0]=4 747 B6R0.3 NC(=O)C(N)CO Amb17593097 [1,0,0,0,0,0|1,1,0]=3 748 B6R0.3 NC(=O)C(N)CO Amb2720301 [1,0,0,0,0,0|1,1,0]=3 749 B6R0.3 NC(=O)C(N)CS Amb18641990 [1,0,0,0,0,0|1,0,0]=2 750 B6R0.3 NC(=O)C(N)CS Amb33330875 [1,0,0,0,0,0|1,0,0]=2 751 B6R0.3 NC(=O)C(O)CO Amb27169520 [1,0,0,0,0,0|2,1,0]=4 752 B6R0.3 NC(=O)[C@@H](N)CO Amb6336612 [1,0,0,0,0,0|1,1,0]=3 753 B6R0.3 NC(=O)[C@@H](N)CO Amb8387630 [1,0,0,0,0,0|1,1,0]=3 754 B6R0.3 NC(=O)[C@@H](N)CS Amb23437751 [1,0,0,0,0,0|1,0,0]=2 755 B6R0.3 NC(=O)[C@@H](O)CO Amb27816733 [1,0,0,0,0,0|2,1,0]=4 756 B6R0.3 NC(=O)[C@H](N)CO Amb22886957 [1,0,0,0,0,0|1,1,0]=3 757 B6R0.3 NC(=O)[C@H](N)CO Amb26505098 [1,0,0,0,0,0|1,1,0]=3 758 B6R0.3 NC(CCl)C(=O)O Amb19651457 [1,0,0,0,0,0|1,0,0]=2 759 B6R0.3 NC(CCl)C(=O)O Amb21961077 [1,0,0,0,0,0|1,0,0]=2 760 B6R0.3 NC(CF)C(=O)O Amb10839589 [1,0,0,0,0,0|1,0,0]=2 761 B6R0.3 NC(CO)C(=O)O Amb9702805 [1,0,0,0,0,0|0,1,0]=2 762 B6R0.3 NC(CO)P(O)O Amb27953933 [1,0,0,0,0,0|1,1,1]=4 763 B6R0.3 NC(CP)C(=O)O Amb27234251 [1,0,0,0,0,0|1,0,0]=2 764 B6R0.3 NC(CS)C(=O)Cl Amb28050358 [1,0,0,0,0,0|1,0,0]=2 765 B6R0.3 NC(CS)C(=O)O Amb13961966 [1,0,0,0,0,0|0,0,0]=1 766 B6R0.3 NC(CS)C(=O)O Amb22489523 [1,0,0,0,0,0|0,0,0]=1 767 B6R0.3 NC(CS)C(=O)O Amb6537913 [1,0,0,0,0,0|0,0,0]=1 768 B6R0.3 NC(CS)C(=O)O Amb6537914 [1,0,0,0,0,0|0,0,0]=1 769 B6R0.3 NC(CS)C(=O)S Amb27838279 [1,0,0,0,0,0|0,1,0]=2 770 B6R0.3 NC(CS)S(=O)O Amb27238568 [1,0,0,0,0,0|1,0,0]=2 771 B6R0.3 NC(C[NH3+])C(=O)O Amb4004471 [1,0,0,0,0,0|1,0,0]=2 772 B6R0.3 NCC(Br)C(=O)O Amb28385732 [1,0,0,0,0,0|2,0,0]=3 773 B6R0.3 NCC(Cl)C(=O)O Amb17593263 [1,0,0,0,0,0|2,0,0]=3 774 B6R0.3 NCC(F)C(=O)O Amb22733051 [1,0,0,0,0,0|2,0,0]=3 775 B6R0.3 NCC(F)C(=O)O Amb2688010 [1,0,0,0,0,0|2,0,0]=3 776 B6R0.3 NCC(F)C(N)=O Amb26984913 [1,0,0,0,0,0|3,0,0]=4 777 B6R0.3 NCC(F)C(N)=O Amb32667436 [1,0,0,0,0,0|3,0,0]=4 778 B6R0.3 NCC(N)C(=O)O Amb22899095 [1,0,0,0,0,0|1,0,0]=2 779 B6R0.3 NCC(N)C(=O)O Amb2697095 [1,0,0,0,0,0|1,0,0]=2 780 B6R0.3 NCC(N)C(=O)O Amb8514284 [1,0,0,0,0,0|1,0,0]=2 781 B6R0.3 NCC(O)C(=O)O Amb8517492 [1,0,0,0,0,0|2,0,0]=3 782 B6R0.3 NCC(O)C(N)=O Amb27164291 [1,0,0,0,0,0|3,0,0]=4 783 B6R0.3 NCC(O)C(N)=O Amb28827639 [1,0,0,0,0,0|3,0,0]=4 784 B6R0.3 NCC(S)C(=O)O Amb17593238 [1,0,0,0,0,0|2,0,0]=3 785 B6R0.3 NC[C@@H](F)C(=O)O Amb25824168 [1,0,0,0,0,0|2,0,0]=3 786 B6R0.3 NC[C@@H](F)C(=O)O Amb31291438 [1,0,0,0,0,0|2,0,0]=3 787 B6R0.3 NC[C@@H](N)C(=O)O Amb22745957 [1,0,0,0,0,0|1,0,0]=2 788 B6R0.3 NC[C@@H](N)C(=O)O Amb8515776 [1,0,0,0,0,0|1,0,0]=2 789 B6R0.3 NC[C@@H](N)C(N)=O Amb27981260 [1,0,0,0,0,0|2,0,0]=3 790 B6R0.3 NC[C@@H](O)C(=O)O Amb22169412 [1,0,0,0,0,0|2,0,0]=3 791 B6R0.3 NC[C@@H](O)C(N)=O Amb28282144 [1,0,0,0,0,0|3,0,0]=4 792 B6R0.3 NC[C@H](F)C(=O)O Amb27254153 [1,0,0,0,0,0|2,0,0]=3 793 B6R0.3 NC[C@H](F)C(=O)O Amb31291433 [1,0,0,0,0,0|2,0,0]=3 794 B6R0.3 NC[C@H](N)C(=O)O Amb16183820 [1,0,0,0,0,0|1,0,0]=2 795 B6R0.3 NC[C@H](N)C(=O)O Amb33842544 [1,0,0,0,0,0|1,0,0]=2 796 B6R0.3 NC[C@H](N)C(=O)O Amb8515775 [1,0,0,0,0,0|1,0,0]=2 797 B6R0.3 NC[C@H](O)C(=O)O Amb4166313 [1,0,0,0,0,0|2,0,0]=3 798 B6R0.3 NC[C@H](O)C(N)=O Amb32645211 [1,0,0,0,0,0|3,0,0]=4 799 B6R0.3 N[C@@H](C=S)C(=O)O Amb27838199 [1,0,0,0,0,0|0,0,2]=3 800 B6R0.3 N[C@@H](CBr)C(=O)O Amb27188433 [1,0,0,0,0,0|1,0,0]=2 801 B6R0.3 N[C@@H](CCl)C(=O)O Amb22232860 [1,0,0,0,0,0|1,0,0]=2 802 B6R0.3 N[C@@H](CCl)C(=O)O Amb8515277 [1,0,0,0,0,0|1,0,0]=2 803 B6R0.3 N[C@@H](CO)C(=O)O Amb22351170 [1,0,0,0,0,0|0,1,0]=2 804 B6R0.3 N[C@@H](CO)C(=O)O Amb8387621 [1,0,0,0,0,0|0,1,0]=2 805 B6R0.3 N[C@@H](CS)C(=O)O Amb3940755 [1,0,0,0,0,0|0,0,0]=1 806 B6R0.3 N[C@@H](CS)C(=O)O Amb8385453 [1,0,0,0,0,0|0,0,0]=1 807 B6R0.3 N[C@@H](CS)C(=O)O Amb9826090 [1,0,0,0,0,0|0,0,0]=1 808 B6R0.3 N[C@@H](CS)S(=O)O Amb27391675 [1,0,0,0,0,0|1,0,0]=2 809 B6R0.3 N[C@@H](C[SeH])C(=O)O Amb31031035 [1,0,0,0,0,0|0,1,0]=2 810 B6R0.3 N[C@H](CCl)C(=O)Cl Amb28143184 [1,0,0,0,0,0|2,0,0]=3 811 B6R0.3 N[C@H](CCl)C(=O)O Amb2699111 [1,0,0,0,0,0|1,0,0]=2 812 B6R0.3 N[C@H](CCl)C(=O)O Amb9813688 [1,0,0,0,0,0|1,0,0]=2 813 B6R0.3 N[C@H](CO)C(=O)Cl Amb28058341 [1,0,0,0,0,0|1,1,0]=3 814 B6R0.3 N[C@H](CO)C(=O)O Amb2690463 [1,0,0,0,0,0|0,1,0]=2 815 B6R0.3 N[C@H](CS)C(=O)Cl Amb27166396 [1,0,0,0,0,0|1,0,0]=2 816 B6R0.3 N[C@H](CS)C(=O)O Amb17942912 [1,0,0,0,0,0|0,0,0]=1 817 B6R0.3 N[C@H](CS)C(=O)O Amb8394603 [1,0,0,0,0,0|0,0,0]=1 818 B6R0.3 N[C@H](CS)C(=O)O Amb8628479 [1,0,0,0,0,0|0,0,0]=1 819 B6R0.3 N\C(=N/O)C(=O)O Amb24670890 [1,0,0,0,0,0|1,1,1]=4 820 B6R0.3 O=C(Cl)C(Br)CBr Amb3940235 [1,0,0,0,0,0|3,0,0]=4 821 B6R0.3 O=C(Cl)C(Br)CCl Amb28198806 [1,0,0,0,0,0|3,0,0]=4 822 B6R0.3 O=C(Cl)C(Br)CF Amb28129447 [1,0,0,0,0,0|3,0,0]=4 823 B6R0.3 O=C(Cl)C(Cl)CCl Amb3940236 [1,0,0,0,0,0|3,0,0]=4 824 B6R0.3 O=C(O)C(=O)CBr Amb10068671 [1,0,0,0,0,0|2,0,1]=4 825 B6R0.3 O=C(O)C(=O)CBr Amb8389349 [1,0,0,0,0,0|2,0,1]=4 826 B6R0.3 O=C(O)C(=O)CCl Amb16233358 [1,0,0,0,0,0|2,0,1]=4 827 B6R0.3 O=C(O)C(=O)CI Amb27659477 [1,0,0,0,0,0|2,0,1]=4 828 B6R0.3 O=C(O)C(=O)CO Amb6600025 [1,0,0,0,0,0|1,1,1]=4 829 B6R0.3 O=C(O)C(=O)CS Amb6600041 [1,0,0,0,0,0|1,0,1]=3 830 B6R0.3 O=C(O)C(=S)NS Amb27469030 [1,0,0,0,0,0|2,0,1]=4 831 B6R0.3 O=C(O)C(Br)CBr Amb8513574 [1,0,0,0,0,0|2,0,0]=3 832 B6R0.3 O=C(O)C(Br)CF Amb10605519 [1,0,0,0,0,0|2,0,0]=3 833 B6R0.3 O=C(O)C(Br)CO Amb18126327 [1,0,0,0,0,0|1,1,0]=3 834 B6R0.3 O=C(O)C(Cl)CCl Amb22228245 [1,0,0,0,0,0|2,0,0]=3 835 B6R0.3 O=C(O)C(Cl)CO Amb18124304 [1,0,0,0,0,0|1,1,0]=3 836 B6R0.3 O=C(O)C(Cl)CS Amb18643661 [1,0,0,0,0,0|1,0,0]=2 837 B6R0.3 O=C(O)C(F)CO Amb17593117 [1,0,0,0,0,0|1,1,0]=3 838 B6R0.3 O=C(O)C(O)CBr Amb24061932 [1,0,0,0,0,0|2,0,0]=3 839 B6R0.3 O=C(O)C(O)CCl Amb6371692 [1,0,0,0,0,0|2,0,0]=3 840 B6R0.3 O=C(O)C(O)CF Amb27476477 [1,0,0,0,0,0|2,0,0]=3 841 B6R0.3 O=C(O)C(O)CO Amb17593103 [1,0,0,0,0,0|1,1,0]=3 842 B6R0.3 O=C(O)C(O)CS Amb18642053 [1,0,0,0,0,0|1,0,0]=2 843 B6R0.3 O=C(O)C(S)CS Amb18643295 [1,0,0,0,0,0|1,0,0]=2 844 B6R0.3 O=C(O)[C@@H](Br)CO Amb10601700 [1,0,0,0,0,0|1,1,0]=3 845 B6R0.3 O=C(O)[C@@H](Cl)CO Amb27968485 [1,0,0,0,0,0|1,1,0]=3 846 B6R0.3 O=C(O)[C@@H](O)CBr Amb27858794 [1,0,0,0,0,0|2,0,0]=3 847 B6R0.3 O=C(O)[C@@H](O)CCl Amb22225325 [1,0,0,0,0,0|2,0,0]=3 848 B6R0.3 O=C(O)[C@@H](O)CF Amb24117272 [1,0,0,0,0,0|2,0,0]=3 849 B6R0.3 O=C(O)[C@@H](O)CO Amb22226732 [1,0,0,0,0,0|1,1,0]=3 850 B6R0.3 O=C(O)[C@H](Cl)CO Amb27759746 [1,0,0,0,0,0|1,1,0]=3 851 B6R0.3 O=C(O)[C@H](O)CBr Amb28137021 [1,0,0,0,0,0|2,0,0]=3 852 B6R0.3 O=C(O)[C@H](O)CF Amb27467272 [1,0,0,0,0,0|2,0,0]=3 853 B6R0.3 O=C(O)[C@H](O)CO Amb4166319 [1,0,0,0,0,0|1,1,0]=3 854 B6R0.3 O=C([O-])C(=O)CS Amb22547761 [1,0,0,0,0,0|1,0,2]=4 855 B6R0.3 O=C([O-])C(=O)CS Amb9825929 [1,0,0,0,0,0|1,0,2]=4 856 B6R0.3 O=CC(Br)C(=O)O Amb27793774 [1,0,0,0,0,0|1,1,1]=4 857 B6R0.3 O=CC(F)C(=O)O Amb22055301 [1,0,0,0,0,0|1,1,1]=4 858 B6R0.3 O=C[C@@H](O)C(=O)O Amb27629391 [1,0,0,0,0,0|1,1,1]=4 859 B6R0.3 [C-]#[N+]C(C)C(=O)O Amb27974746 [1,0,0,0,0,0|2,0,1]=4 860 B6R0.4 C#CCCC(=O)Cl Amb26949181 [1,0,0,0,0,0|2,0,1]=4 861 B6R0.4 C#CCCC(=O)O Amb33532622 [1,0,0,0,0,0|1,0,1]=3 862 B6R0.4 C#CCCC(=O)[O-] Amb22232009 [1,0,0,0,0,0|1,0,2]=4 863 B6R0.4 C#CCCC(C)=O Amb8869638 [1,0,0,0,0,0|2,0,1]=4 864 B6R0.4 C=C(C)CCCC Amb2721685 [1,0,0,0,0,0|3,0,0]=4 865 B6R0.4 C=C(C)CCNC Amb18993045 [1,0,0,0,0,0|3,0,0]=4 866 B6R0.4 C=C(C)CCOC Amb33546340 [1,0,0,0,0,0|2,1,0]=4 867 B6R0.4 C=C(C)CCSC Amb28400079 [1,0,0,0,0,0|2,0,0]=3 868 B6R0.4 C=C=CCC(=O)O Amb26657414 [1,0,0,0,0,0|1,0,2]=4 869 B6R0.4 C=CCCC(=O)Cl Amb3939003 [1,0,0,0,0,0|2,0,1]=4 870 B6R0.4 C=CCCC(=O)O Amb3940112 [1,0,0,0,0,0|1,0,1]=3 871 B6R0.4 C=CCCC(C)=O Amb2721704 [1,0,0,0,0,0|2,0,1]=4 872 B6R0.4 C=CCCC(N)=O Amb28136349 [1,0,0,0,0,0|2,0,1]=4 873 B6R0.4 C=CNCC(=O)O Amb28346027 [1,0,0,0,0,0|2,0,1]=4 874 B6R0.4 C=COCC(=O)O Amb27247261 [1,0,0,0,0,0|2,0,1]=4 875 B6R0.4 CC#CCC(=O)O Amb17939740 [1,0,0,0,0,0|1,0,1]=3 876 B6R0.4 CC#CCC(C)=O Amb27648528 [1,0,0,0,0,0|2,0,1]=4 877 B6R0.4 CC(=O)CCC#N Amb17334046 [1,0,0,0,0,0|3,0,0]=4 878 B6R0.4 CC(=O)CCC=O Amb18639597 [1,0,0,0,0,0|3,0,0]=4 879 B6R0.4 CC(=O)CCCBr Amb8394105 [1,0,0,0,0,0|3,0,0]=4 880 B6R0.4 CC(=O)CCCCl Amb3940272 [1,0,0,0,0,0|3,0,0]=4 881 B6R0.4 CC(=O)CCCF Amb25068187 [1,0,0,0,0,0|3,0,0]=4 882 B6R0.4 CC(=O)CCCN Amb18121547 [1,0,0,0,0,0|3,0,0]=4 883 B6R0.4 CC(=O)CCCN Amb32661221 [1,0,0,0,0,0|3,0,0]=4 884 B6R0.4 CC(=O)CCCN Amb32661286 [1,0,0,0,0,0|3,0,0]=4 885 B6R0.4 CC(=O)CCCO Amb3940340 [1,0,0,0,0,0|3,0,0]=4 886 B6R0.4 CC=C=CC(=O)O Amb17593065 [1,0,0,0,0,0|1,0,2]=4 887 B6R0.4 CCC#CC(=O)O Amb6336503 [1,0,0,0,0,0|1,0,2]=4 888 B6R0.4 CCCCB(O)O Amb2447142 [1,0,0,0,0,0|2,0,1]=4 889 B6R0.4 CCCCC(=N)N Amb10066937 [1,0,0,0,0,0|3,0,0]=4 890 B6R0.4 CCCCC(=N)N Amb2696360 [1,0,0,0,0,0|3,0,0]=4 891 B6R0.4 CCCCC(=O)Cl Amb3939066 [1,0,0,0,0,0|2,0,0]=3 892 B6R0.4 CCCCC(=O)O Amb3939877 [1,0,0,0,0,0|1,0,0]=2 893 B6R0.4 CCCCC(=O)[O-] Amb22056343 [1,0,0,0,0,0|1,0,1]=3 894 B6R0.4 CCCCC(=S)S Amb27195855 [1,0,0,0,0,0|1,2,0]=4 895 B6R0.4 CCCCC(C)=O Amb6608652 [1,0,0,0,0,0|2,0,0]=3 896 B6R0.4 CCCCC(C)O Amb4605977 [1,0,0,0,0,0|2,0,1]=4 897 B6R0.4 CCCCC(N)=O Amb6891958 [1,0,0,0,0,0|2,0,0]=3 898 B6R0.4 CCCCC(N)=S Amb6249558 [1,0,0,0,0,0|2,1,0]=4 899 B6R0.4 CCCCN(C)O Amb33204268 [1,0,0,0,0,0|3,0,0]=4 900 B6R0.4 CCCCS(=O)Cl Amb24551332 [1,0,0,0,0,0|3,0,0]=4 901 B6R0.4 CCCCS(=O)[O-] Amb19889352 [1,0,0,0,0,0|2,0,1]=4 902 B6R0.4 CCCCS(N)=O Amb32720302 [1,0,0,0,0,0|3,0,0]=4 903 B6R0.4 CCCC[C@@H](C)O Amb19929139 [1,0,0,0,0,0|2,0,1]=4 904 B6R0.4 CCCC[C@H](C)O Amb8515092 [1,0,0,0,0,0|2,0,1]=4 905 B6R0.4 CCCC[N+](=O)[O-] Amb6298783 [1,0,0,0,0,0|2,0,1]=4 906 B6R0.4 CCCC[PH](=O)O Amb8391286 [1,0,0,0,0,0|2,0,0]=3 907 B6R0.4 CCCNC(=O)Cl Amb25688616 [1,0,0,0,0,0|3,0,0]=4 908 B6R0.4 CCCNC(C)=O Amb5835710 [1,0,0,0,0,0|3,0,0]=4 909 B6R0.4 CCCNC(N)=O Amb1152241 [1,0,0,0,0,0|3,0,0]=4 910 B6R0.4 CCCOC(=O)Cl Amb10604123 [1,0,0,0,0,0|3,0,0]=4 911 B6R0.4 CCCOC(=O)F Amb32667886 [1,0,0,0,0,0|3,0,0]=4 912 B6R0.4 CCCOC(N)=O Amb6334809 [1,0,0,0,0,0|3,0,0]=4 913 B6R0.4 CCCSC(C)=O Amb22043301 [1,0,0,0,0,0|3,0,0]=4 914 B6R0.4 CCCSC(N)=O Amb27167907 [1,0,0,0,0,0|3,0,0]=4 915 B6R0.4 CCNCC(=O)Cl Amb27948279 [1,0,0,0,0,0|3,0,0]=4 916 B6R0.4 CCNCC(=O)O Amb10609667 [1,0,0,0,0,0|2,0,0]=3 917 B6R0.4 CCNCC(=O)O Amb7764661 [1,0,0,0,0,0|2,0,0]=3 918 B6R0.4 CCNCC(C)=O Amb24545893 [1,0,0,0,0,0|3,0,0]=4 919 B6R0.4 CCNCC(C)=O Amb32661185 [1,0,0,0,0,0|3,0,0]=4 920 B6R0.4 CCNCC(N)=O Amb1128676 [1,0,0,0,0,0|3,0,0]=4 921 B6R0.4 CCNCC(N)=O Amb4035424 [1,0,0,0,0,0|3,0,0]=4 922 B6R0.4 CCOCC(=O)Cl Amb33528415 [1,0,0,0,0,0|3,0,0]=4 923 B6R0.4 CCOCC(=O)O Amb3939880 [1,0,0,0,0,0|2,0,0]=3 924 B6R0.4 CCOCC(=O)S Amb27813482 [1,0,0,0,0,0|2,1,0]=4 925 B6R0.4 CCOCC(C)=O Amb9666086 [1,0,0,0,0,0|3,0,0]=4 926 B6R0.4 CCPCC(=O)O Amb28321137 [1,0,0,0,0,0|2,0,0]=3 927 B6R0.4 CCSCC(=O)O Amb1125185 [1,0,0,0,0,0|2,0,0]=3 928 B6R0.4 CCSCC(C)=O Amb4018179 [1,0,0,0,0,0|3,0,0]=4 929 B6R0.4 CC\C=C/C(=O)O Amb28429841 [1,0,0,0,0,0|1,0,2]=4 930 B6R0.4 CC\C=C\C(=O)O Amb6608967 [1,0,0,0,0,0|1,0,2]=4 931 B6R0.4 CC\N=C\C(=O)O Amb28041425 [1,0,0,0,0,0|2,0,1]=4 932 B6R0.4 CNCCC(=O)Cl Amb27422890 [1,0,0,0,0,0|2,0,0]=3 933 B6R0.4 CNCCC(=O)O Amb10609760 [1,0,0,0,0,0|1,0,0]=2 934 B6R0.4 CNCCC(=O)O Amb7766400 [1,0,0,0,0,0|1,0,0]=2 935 B6R0.4 CNCCC(C)=O Amb24560306 [1,0,0,0,0,0|2,0,0]=3 936 B6R0.4 CNCCC(C)=O Amb28827637 [1,0,0,0,0,0|2,0,0]=3 937 B6R0.4 CNCCC(C)O Amb17569889 [1,0,0,0,0,0|2,0,1]=4 938 B6R0.4 CNCCC(C)O Amb34141241 [1,0,0,0,0,0|2,0,1]=4 939 B6R0.4 CNCCC(N)=O Amb19959913 [1,0,0,0,0,0|2,0,0]=3 940 B6R0.4 CNCCC(N)=O Amb33538309 [1,0,0,0,0,0|2,0,0]=3 941 B6R0.4 CNCCN(C)O Amb27628863 [1,0,0,0,0,0|3,0,0]=4 942 B6R0.4 CNCCS(C)=O Amb21984676 [1,0,0,0,0,0|3,0,0]=4 943 B6R0.4 CNCC[C@H](C)O Amb27801301 [1,0,0,0,0,0|2,0,1]=4 944 B6R0.4 CNCC[N+](=O)[O-] Amb35704404 [1,0,0,0,0,0|2,0,1]=4 945 B6R0.4 COCCB(O)O Amb27173037 [1,0,0,0,0,0|1,1,1]=4 946 B6R0.4 COCCC(=N)N Amb2696283 [1,0,0,0,0,0|2,1,0]=4 947 B6R0.4 COCCC(=N)N Amb8630184 [1,0,0,0,0,0|2,1,0]=4 948 B6R0.4 COCCC(=O)Cl Amb2689274 [1,0,0,0,0,0|1,1,0]=3 949 B6R0.4 COCCC(=O)O Amb3938990 [1,0,0,0,0,0|0,1,0]=2 950 B6R0.4 COCCC(C)=O Amb7764907 [1,0,0,0,0,0|1,1,0]=3 951 B6R0.4 COCCC(C)O Amb20621489 [1,0,0,0,0,0|1,1,1]=4 952 B6R0.4 COCCC(N)=O Amb33538943 [1,0,0,0,0,0|1,1,0]=3 953 B6R0.4 COCCC(N)=S Amb6250669 [1,0,0,0,0,0|1,2,0]=4 954 B6R0.4 COCCC(O)Br Amb20242943 [1,0,0,0,0,0|1,1,1]=4 955 B6R0.4 COCCC(O)O Amb28410462 [1,0,0,0,0,0|0,1,2]=4 956 B6R0.4 COCCN(C)O Amb33428857 [1,0,0,0,0,0|2,1,0]=4 957 B6R0.4 COCCS(=O)Cl Amb25914790 [1,0,0,0,0,0|2,1,0]=4 958 B6R0.4 COCCS(=O)[O-] Amb26874008 [1,0,0,0,0,0|1,1,1]=4 959 B6R0.4 COCCS(N)=O Amb32720336 [1,0,0,0,0,0|2,1,0]=4 960 B6R0.4 COCC[C@@H](C)O Amb27237141 [1,0,0,0,0,0|1,1,1]=4 961 B6R0.4 COCC[C@H](C)O Amb26559043 [1,0,0,0,0,0|1,1,1]=4 962 B6R0.4 COCNC(N)=O Amb25744350 [1,0,0,0,0,0|2,1,0]=4 963 B6R0.4 CONCC(N)=O Amb28455463 [1,0,0,0,0,0|2,1,0]=4 964 B6R0.4 CO\C=C\C(=O)O Amb18121767 [1,0,0,0,0,0|0,1,2]=4 965 B6R0.4 CO\N=C\C(=O)O Amb10976081 [1,0,0,0,0,0|1,1,1]=4 966 B6R0.4 CSC#CC(=O)O Amb33309663 [1,0,0,0,0,0|0,0,2]=3 967 B6R0.4 CSCC=C(C)C Amb27594692 [1,0,0,0,0,0|2,0,1]=4 968 B6R0.4 CSCCC(=N)N Amb19373501 [1,0,0,0,0,0|2,0,0]=3 969 B6R0.4 CSCCC(=N)N Amb19516878 [1,0,0,0,0,0|2,0,0]=3 970 B6R0.4 CSCCC(=O)O Amb3939879 [1,0,0,0,0,0|0,0,0]=1 971 B6R0.4 CSCCC(C)=O Amb8392858 [1,0,0,0,0,0|1,0,0]=2 972 B6R0.4 CSCCC(C)Br Amb33007127 [1,0,0,0,0,0|2,0,1]=4 973 B6R0.4 CSCCC(C)C Amb4016370 [1,0,0,0,0,0|2,0,1]=4 974 B6R0.4 CSCCC(C)N Amb19515505 [1,0,0,0,0,0|2,0,1]=4 975 B6R0.4 CSCCC(C)O Amb27860401 [1,0,0,0,0,0|1,0,1]=3 976 B6R0.4 CSCCC(N)=S Amb17307559 [1,0,0,0,0,0|1,1,0]=3 977 B6R0.4 CSCCN(=O)=O Amb24179458 [1,0,0,0,0,0|1,0,1]=3 978 B6R0.4 CSCCN(C)O Amb33272058 [1,0,0,0,0,0|2,0,0]=3 979 B6R0.4 CSCC[C@@H](C)N Amb33200180 [1,0,0,0,0,0|2,0,1]=4 980 B6R0.4 CSCC[C@@H](C)O Amb33198759 [1,0,0,0,0,0|1,0,1]=3 981 B6R0.4 CSCC[C@H](C)N Amb33200178 [1,0,0,0,0,0|2,0,1]=4 982 B6R0.4 CSCC[C@H](C)O Amb33198747 [1,0,0,0,0,0|1,0,1]=3 983 B6R0.4 CSCSC(C)=O Amb27876851 [1,0,0,0,0,0|2,0,0]=3 984 B6R0.4 CSSCC(=O)O Amb25378801 [1,0,0,0,0,0|1,0,0]=2 985 B6R0.4 CS\C=C/C(C)=O Amb27471812 [1,0,0,0,0,0|1,0,2]=4 986 B6R0.4 CS\C=C\C(=O)O Amb30584688 [1,0,0,0,0,0|0,0,2]=3 987 B6R0.4 C\C=C\CC(=O)O Amb3941538 [1,0,0,0,0,0|1,0,1]=3 988 B6R0.4 C\C=C\CC(N)=O Amb26589975 [1,0,0,0,0,0|2,0,1]=4 989 B6R0.4 C\N=C\CC(C)=O Amb28202181 [1,0,0,0,0,0|2,0,1]=4 990 B6R0.4 N#CCCC(=O)Cl Amb25106570 [1,0,0,0,0,0|3,0,0]=4 991 B6R0.4 N#CCCC(=O)O Amb2694975 [1,0,0,0,0,0|2,0,0]=3 992 B6R0.4 N#CCCC(N)=O Amb8841150 [1,0,0,0,0,0|3,0,0]=4 993 B6R0.4 N=CNCC(=O)O Amb24670244 [1,0,0,0,0,0|3,0,0]=4 994 B6R0.4 NC(=O)CCCCl Amb1138237 [1,0,0,0,0,0|3,0,0]=4 995 B6R0.4 NC(=O)CCCF Amb28073400 [1,0,0,0,0,0|3,0,0]=4 996 B6R0.4 NC(=O)CCCO Amb20623438 [1,0,0,0,0,0|3,0,0]=4 997 B6R0.4 NC(=O)CCCS Amb27174778 [1,0,0,0,0,0|3,0,0]=4 998 B6R0.4 NCCCC(=O)Cl Amb1935063 [1,0,0,0,0,0|3,0,0]=4 999 B6R0.4 NCCCC(=O)O Amb1935210 [1,0,0,0,0,0|2,0,0]=3 1000 B6R0.4 NCCCC(N)=O Amb2099583 [1,0,0,0,0,0|3,0,0]=4 1001 B6R0.4 NCCCC(N)=O Amb6543438 [1,0,0,0,0,0|3,0,0]=4 1002 B6R0.4 NCCCS(=O)O Amb25185942 [1,0,0,0,0,0|3,0,0]=4 1003 B6R0.4 NCCC[PH](=O)O Amb22370049 [1,0,0,0,0,0|3,0,0]=4 1004 B6R0.4 NNCCC(=O)O Amb33756816 [1,0,0,0,0,0|2,0,0]=3 1005 B6R0.4 NOCCC(=O)O Amb17569891 [1,0,0,0,0,0|1,1,0]=3 1006 B6R0.4 NOCCC(=O)O Amb32693437 [1,0,0,0,0,0|1,1,0]=3 1007 B6R0.4 NOCCC(N)=O Amb27838275 [1,0,0,0,0,0|2,1,0]=4 1008 B6R0.4 O=C(Br)CCCBr Amb25724818 [1,0,0,0,0,0|3,0,0]=4 1009 B6R0.4 O=C(Cl)CCCBr Amb3940241 [1,0,0,0,0,0|3,0,0]=4 1010 B6R0.4 O=C(Cl)CCCCl Amb6608638 [1,0,0,0,0,0|3,0,0]=4 1011 B6R0.4 O=C(O)CCCBr Amb8393276 [1,0,0,0,0,0|2,0,0]=3 1012 B6R0.4 O=C(O)CCCCl Amb3940333 [1,0,0,0,0,0|2,0,0]=3 1013 B6R0.4 O=C(O)CCCF Amb17593104 [1,0,0,0,0,0|2,0,0]=3 1014 B6R0.4 O=C(O)CCCI Amb22295911 [1,0,0,0,0,0|2,0,0]=3 1015 B6R0.4 O=C(O)CCCO Amb18640332 [1,0,0,0,0,0|2,0,0]=3 1016 B6R0.4 O=C(O)CCCS Amb16185429 [1,0,0,0,0,0|2,0,0]=3 1017 B6R0.4 O=C(O)CCNO Amb28067767 [1,0,0,0,0,0|2,0,0]=3 1018 B6R0.4 O=C(O)CCSCl Amb28387511 [1,0,0,0,0,0|1,0,0]=2 1019 B6R0.4 O=C(O)COCF Amb33378705 [1,0,0,0,0,0|3,0,0]=4 1020 B6R0.4 O=C(O)CPCO Amb28340565 [1,0,0,0,0,0|3,0,0]=4 1021 B6R0.4 O=C(O)CSSCl Amb27477882 [1,0,0,0,0,0|2,0,0]=3 1022 B6R0.4 O=C(O)C\C=C/Br Amb27483815 [1,0,0,0,0,0|2,0,1]=4 1023 B6R0.4 O=C(O)C\C=C\Cl Amb25111871 [1,0,0,0,0,0|2,0,1]=4 1024 B6R0.4 O=C([O-])CCCO Amb3429667 [1,0,0,0,0,0|2,0,1]=4 1025 B6R0.4 O=CCCC(=O)O Amb17673897 [1,0,0,0,0,0|2,0,0]=3 1026 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|3,0,0]=4 1027 B6R0.4 O=COCC(=O)O Amb26624011 [1,0,0,0,0,0|3,0,0]=4 1028 B6R0.4 O=[PH](O)CCCO Amb28345330 [1,0,0,0,0,0|3,0,0]=4 1029 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [1,0,0,0,0,0|3,0,0]=4 1030 B8R0.2 C#C[C@@H](C)[C@H](C)C(=O)O Amb27257738 [0,1,0,0,0,0|2,0,1]=4 1031 B8R0.2 C#C[C@H](C)[C@@H](O)C(=O)O Amb27777980 [0,1,0,0,0,0|2,0,1]=4 1032 B8R0.2 C=C(C(=O)O)C(C)CC Amb18642655 [0,1,0,0,0,0|2,0,1]=4 1033 B8R0.2 C=C(C(=O)O)[C@@H](O)CC Amb28253249 [0,1,0,0,0,0|2,0,1]=4 1034 B8R0.2 C=C(C)C(N)C(C)CC Amb27760262 [0,1,0,0,0,0|3,0,0]=4 1035 B8R0.2 C=C(C)C(N)C(C)OC Amb27593425 [0,1,0,0,0,0|2,1,0]=4 1036 B8R0.2 C=CC(=C)C(N)C(=O)O Amb28323133 [0,1,0,0,0,0|1,0,2]=4 1037 B8R0.2 C=CC(C)C(C)C(=O)O Amb18642611 [0,1,0,0,0,0|2,0,1]=4 1038 B8R0.2 C=CC(C)C(N)C(=O)O Amb18989861 [0,1,0,0,0,0|1,0,1]=3 1039 B8R0.2 C=CC(C)C(N)C(N)=O Amb25993208 [0,1,0,0,0,0|2,0,1]=4 1040 B8R0.2 C=CC(C)C(O)C(=O)O Amb18642750 [0,1,0,0,0,0|2,0,1]=4 1041 B8R0.2 C=CC(C)[C@@H](N)C(=O)O Amb25889532 [0,1,0,0,0,0|1,0,1]=3 1042 B8R0.2 C=CC(C)[C@H](N)C(=O)O Amb27761345 [0,1,0,0,0,0|1,0,1]=3 1043 B8R0.2 C=CC(N)C(C)C(=O)O Amb33036213 [0,1,0,0,0,0|2,0,1]=4 1044 B8R0.2 C=CC(O)C(C)C(=O)O Amb18642774 [0,1,0,0,0,0|2,0,1]=4 1045 B8R0.2 C=CC(O)C(N)C(=O)O Amb18642830 [0,1,0,0,0,0|1,0,1]=3 1046 B8R0.2 C=CC(O)[C@H](N)C(=O)O Amb28429839 [0,1,0,0,0,0|1,0,1]=3 1047 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O Amb28129785 [0,1,0,0,0,0|1,0,1]=3 1048 B8R0.2 C=C[C@@H](C)[C@H](O)C(=O)O Amb27788648 [0,1,0,0,0,0|2,0,1]=4 1049 B8R0.2 C=C[C@H](C)[C@@H](N)C(=O)O Amb28067623 [0,1,0,0,0,0|1,0,1]=3 1050 B8R0.2 C=C[C@H](C)[C@H](Cl)C(=O)O Amb27601824 [0,1,0,0,0,0|2,0,1]=4 1051 B8R0.2 C=C[C@H](C)[C@H](F)C(=O)O Amb28285951 [0,1,0,0,0,0|2,0,1]=4 1052 B8R0.2 C=C[C@H](O)[C@@H](C)C(=O)O Amb28422977 [0,1,0,0,0,0|2,0,1]=4 1053 B8R0.2 C=C[C@H](O)[C@@H](N)C(=O)O Amb27236340 [0,1,0,0,0,0|1,0,1]=3 1054 B8R0.2 C=C[C@H](O)[C@H](C)C(=O)O Amb28285106 [0,1,0,0,0,0|2,0,1]=4 1055 B8R0.2 CC(C#N)C(N)C(=O)O Amb33065998 [0,1,0,0,0,0|2,0,0]=3 1056 B8R0.2 CC(C#N)C(N)C(N)=O Amb33127595 [0,1,0,0,0,0|3,0,0]=4 1057 B8R0.2 CC(C#N)[C@@H](N)C(=O)O Amb33308709 [0,1,0,0,0,0|2,0,0]=3 1058 B8R0.2 CC(C#N)[C@H](N)C(=O)O Amb33308645 [0,1,0,0,0,0|2,0,0]=3 1059 B8R0.2 CC(C(=O)O)C(N)CN Amb24532823 [0,1,0,0,0,0|3,0,0]=4 1060 B8R0.2 CC(CCl)C(N)C(=O)O Amb27470876 [0,1,0,0,0,0|2,0,0]=3 1061 B8R0.2 CC(CN)C(C)C(=O)O Amb27217450 [0,1,0,0,0,0|3,0,0]=4 1062 B8R0.2 CC(CN)C(F)C(=O)O Amb35750952 [0,1,0,0,0,0|3,0,0]=4 1063 B8R0.2 CC(CN)C(F)C(=O)O Amb35751592 [0,1,0,0,0,0|3,0,0]=4 1064 B8R0.2 CC(CN)C(O)C(=O)O Amb18642919 [0,1,0,0,0,0|3,0,0]=4 1065 B8R0.2 CC(CO)C(C)C(=O)O Amb27255789 [0,1,0,0,0,0|3,0,0]=4 1066 B8R0.2 CC(CO)C(N)C(=O)O Amb27629815 [0,1,0,0,0,0|2,0,0]=3 1067 B8R0.2 CC(CO)C(N)C(N)=O Amb33308985 [0,1,0,0,0,0|3,0,0]=4 1068 B8R0.2 CC(CO)[C@@H](N)C(=O)O Amb33308939 [0,1,0,0,0,0|2,0,0]=3 1069 B8R0.2 CC(CO)[C@H](N)C(=O)O Amb25918803 [0,1,0,0,0,0|2,0,0]=3 1070 B8R0.2 CC(CS)C(C)C(=O)O Amb17593702 [0,1,0,0,0,0|3,0,0]=4 1071 B8R0.2 CC(NO)C(C)C(=O)O Amb27185439 [0,1,0,0,0,0|3,0,0]=4 1072 B8R0.2 CCC(=S)[C@H](N)C(=O)O Amb25111086 [0,1,0,0,0,0|1,0,1]=3 1073 B8R0.2 CCC(Br)C(=O)C(=O)O Amb27232743 [0,1,0,0,0,0|2,0,1]=4 1074 B8R0.2 CCC(C)C(=O)C(=O)O Amb2695339 [0,1,0,0,0,0|2,0,1]=4 1075 B8R0.2 CCC(C)C(Br)C(=O)O Amb4015586 [0,1,0,0,0,0|2,0,0]=3 1076 B8R0.2 CCC(C)C(Br)C(N)=O Amb27472685 [0,1,0,0,0,0|3,0,0]=4 1077 B8R0.2 CCC(C)C(C)C(=O)O Amb18290719 [0,1,0,0,0,0|2,0,0]=3 1078 B8R0.2 CCC(C)C(C)C(C)=O Amb4035878 [0,1,0,0,0,0|3,0,0]=4 1079 B8R0.2 CCC(C)C(Cl)C(=O)O Amb17593752 [0,1,0,0,0,0|2,0,0]=3 1080 B8R0.2 CCC(C)C(Cl)C(N)=O Amb27771780 [0,1,0,0,0,0|3,0,0]=4 1081 B8R0.2 CCC(C)C(N)C(=O)O Amb9702778 [0,1,0,0,0,0|1,0,0]=2 1082 B8R0.2 CCC(C)C(N)C(C)O Amb18832525 [0,1,0,0,0,0|2,0,1]=4 1083 B8R0.2 CCC(C)C(N)C(N)=O Amb1105283 [0,1,0,0,0,0|2,0,0]=3 1084 B8R0.2 CCC(C)C(N)C(N)=O Amb1152621 [0,1,0,0,0,0|2,0,0]=3 1085 B8R0.2 CCC(C)C(N)C(N)=O Amb33551930 [0,1,0,0,0,0|2,0,0]=3 1086 B8R0.2 CCC(C)C(N)C(N)=S Amb19374909 [0,1,0,0,0,0|2,1,0]=4 1087 B8R0.2 CCC(C)C(O)C(=O)O Amb18288809 [0,1,0,0,0,0|2,0,0]=3 1088 B8R0.2 CCC(C)C(O)C(N)=O Amb24112761 [0,1,0,0,0,0|3,0,0]=4 1089 B8R0.2 CCC(C)C(S)C(=O)O Amb27667077 [0,1,0,0,0,0|2,0,0]=3 1090 B8R0.2 CCC(C)[C@@H](C)C(=O)O Amb10844494 [0,1,0,0,0,0|2,0,0]=3 1091 B8R0.2 CCC(C)[C@@H](N)C(=O)O Amb10844500 [0,1,0,0,0,0|1,0,0]=2 1092 B8R0.2 CCC(C)[C@H](Br)C(=O)Cl Amb27166137 [0,1,0,0,0,0|3,0,0]=4 1093 B8R0.2 CCC(C)[C@H](Br)C(=O)O Amb28183049 [0,1,0,0,0,0|2,0,0]=3 1094 B8R0.2 CCC(C)[C@H](C)C(=O)O Amb10844495 [0,1,0,0,0,0|2,0,0]=3 1095 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Amb28314442 [0,1,0,0,0,0|2,0,0]=3 1096 B8R0.2 CCC(C)[C@H](N)C(=O)O Amb10844501 [0,1,0,0,0,0|1,0,0]=2 1097 B8R0.2 CCC(C)[C@H](N)C(C)=O Amb35617474 [0,1,0,0,0,0|2,0,0]=3 1098 B8R0.2 CCC(C)[C@H](N)C(C)O Amb35588414 [0,1,0,0,0,0|2,0,1]=4 1099 B8R0.2 CCC(Cl)C(C)C(C)=O Amb27983787 [0,1,0,0,0,0|3,0,0]=4 1100 B8R0.2 CCC(F)C(=O)C(=O)O Amb27489910 [0,1,0,0,0,0|2,0,1]=4 1101 B8R0.2 CCC(F)C(Br)C(=O)O Amb27858717 [0,1,0,0,0,0|2,0,0]=3 1102 B8R0.2 CCC(N)C(F)C(=O)O Amb33036406 [0,1,0,0,0,0|2,0,0]=3 1103 B8R0.2 CCC(N)C(O)C(N)=O Amb28055940 [0,1,0,0,0,0|3,0,0]=4 1104 B8R0.2 CCC(O)C(C)C(=O)O Amb10844267 [0,1,0,0,0,0|2,0,0]=3 1105 B8R0.2 CCC(O)C(C)C(C)=O Amb26336386 [0,1,0,0,0,0|3,0,0]=4 1106 B8R0.2 CCC(O)C(F)C(=O)O Amb33136388 [0,1,0,0,0,0|2,0,0]=3 1107 B8R0.2 CCC(O)C(N)C(=O)O Amb18203168 [0,1,0,0,0,0|1,0,0]=2 1108 B8R0.2 CCC(O)[C@H](N)C(=O)O Amb24364655 [0,1,0,0,0,0|1,0,0]=2 1109 B8R0.2 CCN(C)C(C)C(=O)O Amb8890967 [0,1,0,0,0,0|3,0,0]=4 1110 B8R0.2 CCN(C)[C@@H](C)C(=O)O Amb27228167 [0,1,0,0,0,0|3,0,0]=4 1111 B8R0.2 CCN(N)C(C)C(=O)O Amb27655613 [0,1,0,0,0,0|3,0,0]=4 1112 B8R0.2 CC[C@@H](C)C(Cl)C(=O)O Amb27472040 [0,1,0,0,0,0|2,0,0]=3 1113 B8R0.2 CC[C@@H](C)[C@@H](Br)C(=O)Cl Amb27194351 [0,1,0,0,0,0|3,0,0]=4 1114 B8R0.2 CC[C@@H](C)[C@@H](C)C(C)=O Amb27949165 [0,1,0,0,0,0|3,0,0]=4 1115 B8R0.2 CC[C@@H](C)[C@@H](C)C(N)=O Amb28049888 [0,1,0,0,0,0|3,0,0]=4 1116 B8R0.2 CC[C@@H](C)[C@@H](Cl)C(=O)O Amb28130604 [0,1,0,0,0,0|2,0,0]=3 1117 B8R0.2 CC[C@@H](C)[C@@H](F)C(=O)O Amb28347222 [0,1,0,0,0,0|2,0,0]=3 1118 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Amb8513329 [0,1,0,0,0,0|1,0,0]=2 1119 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O Amb26063750 [0,1,0,0,0,0|2,0,0]=3 1120 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O Amb26866576 [0,1,0,0,0,0|2,0,0]=3 1121 B8R0.2 CC[C@@H](C)[C@H](C)C(C)=O Amb25024740 [0,1,0,0,0,0|3,0,0]=4 1122 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Amb10068321 [0,1,0,0,0,0|1,0,0]=2 1123 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Amb27879857 [0,1,0,0,0,0|2,0,0]=3 1124 B8R0.2 CC[C@@H](O)[C@@H](C)C(C)=O Amb26600956 [0,1,0,0,0,0|3,0,0]=4 1125 B8R0.2 CC[C@@H](O)[C@H](O)C(C)=O Amb27861441 [0,1,0,0,0,0|3,0,0]=4 1126 B8R0.2 CC[C@H](Br)[C@H](Br)C(=O)O Amb16233350 [0,1,0,0,0,0|2,0,0]=3 1127 B8R0.2 CC[C@H](C)C(=O)C(=O)O Amb28075584 [0,1,0,0,0,0|2,0,1]=4 1128 B8R0.2 CC[C@H](C)C(C)C(=O)O Amb27950556 [0,1,0,0,0,0|2,0,0]=3 1129 B8R0.2 CC[C@H](C)C(C)C(N)=O Amb28049537 [0,1,0,0,0,0|3,0,0]=4 1130 B8R0.2 CC[C@H](C)C(N)C(=O)O Amb27209489 [0,1,0,0,0,0|1,0,0]=2 1131 B8R0.2 CC[C@H](C)[C@@H](Br)C(=O)O Amb23401386 [0,1,0,0,0,0|2,0,0]=3 1132 B8R0.2 CC[C@H](C)[C@@H](C)C(C)=O Amb27250604 [0,1,0,0,0,0|3,0,0]=4 1133 B8R0.2 CC[C@H](C)[C@@H](F)C(=O)O Amb27954743 [0,1,0,0,0,0|2,0,0]=3 1134 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Amb8516280 [0,1,0,0,0,0|1,0,0]=2 1135 B8R0.2 CC[C@H](C)[C@H](Br)C(N)=O Amb27235575 [0,1,0,0,0,0|3,0,0]=4 1136 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)Cl Amb27768651 [0,1,0,0,0,0|3,0,0]=4 1137 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O Amb22388560 [0,1,0,0,0,0|2,0,0]=3 1138 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Amb3940753 [0,1,0,0,0,0|1,0,0]=2 1139 B8R0.2 CC[C@H](C)[C@H](N)C(C)O Amb35737490 [0,1,0,0,0,0|2,0,1]=4 1140 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O Amb10878815 [0,1,0,0,0,0|2,0,0]=3 1141 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O Amb9813724 [0,1,0,0,0,0|2,0,0]=3 1142 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O Amb2694797 [0,1,0,0,0,0|2,0,0]=3 1143 B8R0.2 CC[C@H](N)[C@H](C)C(=O)O Amb27779460 [0,1,0,0,0,0|2,0,0]=3 1144 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O Amb26981388 [0,1,0,0,0,0|1,0,0]=2 1145 B8R0.2 CC[C@H](O)[C@H](Br)C(=O)O Amb28285137 [0,1,0,0,0,0|2,0,0]=3 1146 B8R0.2 CC[C@H](O)[C@H](C)C(C)=O Amb27590145 [0,1,0,0,0,0|3,0,0]=4 1147 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O Amb26024594 [0,1,0,0,0,0|1,0,0]=2 1148 B8R0.2 CNC(=O)C(C)C(=O)O Amb26367215 [0,1,0,0,0,0|2,0,1]=4 1149 B8R0.2 CNC(C)C(C)C(C)=O Amb27202218 [0,1,0,0,0,0|3,0,0]=4 1150 B8R0.2 CNC(C)C(N)C(=O)O Amb18642890 [0,1,0,0,0,0|1,0,0]=2 1151 B8R0.2 CNC(C)C(O)C(N)=O Amb28366769 [0,1,0,0,0,0|3,0,0]=4 1152 B8R0.2 COC(=O)C(C)C(=O)O Amb33545071 [0,1,0,0,0,0|1,1,1]=4 1153 B8R0.2 COC(=O)C(N)C(=O)O Amb27487566 [0,1,0,0,0,0|0,1,1]=3 1154 B8R0.2 COC(=O)C(N)C(C)=O Amb21520335 [0,1,0,0,0,0|1,1,1]=4 1155 B8R0.2 COC(=O)C(N)C(C)=O Amb22491080 [0,1,0,0,0,0|1,1,1]=4 1156 B8R0.2 COC(C)C(Br)C(=O)Cl Amb27215381 [0,1,0,0,0,0|2,1,0]=4 1157 B8R0.2 COC(C)C(Br)C(=O)O Amb16233352 [0,1,0,0,0,0|1,1,0]=3 1158 B8R0.2 COC(C)C(Br)C(C)=O Amb27477738 [0,1,0,0,0,0|2,1,0]=4 1159 B8R0.2 COC(C)C(C)C(=O)O Amb10844268 [0,1,0,0,0,0|1,1,0]=3 1160 B8R0.2 COC(C)C(Cl)C(N)=O Amb27614474 [0,1,0,0,0,0|2,1,0]=4 1161 B8R0.2 COC(C)C(N)C(=O)O Amb17938689 [0,1,0,0,0,0|0,1,0]=2 1162 B8R0.2 COC(C)C(N)C(N)=O Amb27195568 [0,1,0,0,0,0|1,1,0]=3 1163 B8R0.2 COC(C)C(O)C(=O)O Amb27816478 [0,1,0,0,0,0|1,1,0]=3 1164 B8R0.2 COC(C)[C@@H](C)C(=O)O Amb33729616 [0,1,0,0,0,0|1,1,0]=3 1165 B8R0.2 COC(C)[C@@H](N)C(=O)O Amb25733335 [0,1,0,0,0,0|0,1,0]=2 1166 B8R0.2 COC(C)[C@H](C)C(=O)O Amb25722336 [0,1,0,0,0,0|1,1,0]=3 1167 B8R0.2 COC(C)[C@H](N)C(=O)O Amb25881538 [0,1,0,0,0,0|0,1,0]=2 1168 B8R0.2 COC(Cl)C(Cl)C(C)=O Amb27231978 [0,1,0,0,0,0|2,1,0]=4 1169 B8R0.2 CON(C)C(C)C(=O)O Amb27665034 [0,1,0,0,0,0|2,1,0]=4 1170 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O Amb26036938 [0,1,0,0,0,0|0,1,0]=2 1171 B8R0.2 CO[C@@H](C)[C@H](Br)C(N)=O Amb27863450 [0,1,0,0,0,0|2,1,0]=4 1172 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O Amb8390422 [0,1,0,0,0,0|0,1,0]=2 1173 B8R0.2 CO[C@H](C)[C@@H](Br)C(=O)O Amb27392325 [0,1,0,0,0,0|1,1,0]=3 1174 B8R0.2 CO[C@H](C)[C@@H](Cl)C(=O)O Amb27424722 [0,1,0,0,0,0|1,1,0]=3 1175 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O Amb16183892 [0,1,0,0,0,0|0,1,0]=2 1176 B8R0.2 CO[C@H](C)[C@H](N)C(N)=O Amb32723110 [0,1,0,0,0,0|1,1,0]=3 1177 B8R0.2 CO[C@H](C)[C@H](O)C(=O)O Amb25316180 [0,1,0,0,0,0|1,1,0]=3 1178 B8R0.2 CO[C@H](Cl)[C@H](Cl)C(C)=O Amb27407718 [0,1,0,0,0,0|2,1,0]=4 1179 B8R0.2 CSC(C)C(Cl)C(=O)Cl Amb28352236 [0,1,0,0,0,0|2,0,0]=3 1180 B8R0.2 CSC(C)C(N)C(N)=O Amb30035540 [0,1,0,0,0,0|1,0,0]=2 1181 B8R0.2 CS[C@H](C)[C@H](N)C(=O)O Amb27771288 [0,1,0,0,0,0|0,0,0]=1 1182 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb24117487 [0,1,0,0,0,0|2,0,0]=3 1183 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb27828649 [0,1,0,0,0,0|2,0,0]=3 1184 B8R0.2 C[C@@H](CO)[C@H](N)C(=O)O Amb24117488 [0,1,0,0,0,0|2,0,0]=3 1185 B8R0.2 C[C@H](C(=O)O)[C@@H](O)CN Amb28056248 [0,1,0,0,0,0|3,0,0]=4 1186 B8R0.2 C[C@H](CN)[C@@H](O)C(=O)O Amb27455474 [0,1,0,0,0,0|3,0,0]=4 1187 B8R0.2 C\C=C(/C)C(C)C(=O)O Amb27810548 [0,1,0,0,0,0|2,0,1]=4 1188 B8R0.2 C\C=C(/C)C(N)C(=O)O Amb18642706 [0,1,0,0,0,0|1,0,1]=3 1189 B8R0.2 C\C=C(\Br)C(O)C(=O)O Amb27657537 [0,1,0,0,0,0|2,0,1]=4 1190 B8R0.2 C\C=C(\C)C(C)C(=O)O Amb27626047 [0,1,0,0,0,0|2,0,1]=4 1191 B8R0.2 C\C=C(\C)C(N)C(=O)O Amb27634383 [0,1,0,0,0,0|1,0,1]=3 1192 B8R0.2 C\C=C(\C)[C@H](N)C(=O)O Amb28424373 [0,1,0,0,0,0|1,0,1]=3 1193 B8R0.2 NC(C(=O)O)C(F)CO Amb27950986 [0,1,0,0,0,0|2,0,0]=3 1194 B8R0.2 NC(C(=O)O)C(O)CCl Amb27846402 [0,1,0,0,0,0|2,0,0]=3 1195 B8R0.2 NC(C(=O)O)C(O)CF Amb27592597 [0,1,0,0,0,0|2,0,0]=3 1196 B8R0.2 NC(C(=O)O)C(S)CO Amb27199680 [0,1,0,0,0,0|2,0,0]=3 1197 B8R0.2 NC(CO)C(N)C(=O)O Amb28208230 [0,1,0,0,0,0|2,0,0]=3 1198 B8R0.2 NCC(O)C(N)C(=O)O Amb27876292 [0,1,0,0,0,0|2,0,0]=3 1199 B8R0.2 NCC(O)C(O)C(=O)O Amb27830532 [0,1,0,0,0,0|3,0,0]=4 1200 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb27945588 [0,1,0,0,0,0|3,0,0]=4 1201 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb33209939 [0,1,0,0,0,0|3,0,0]=4 1202 B8R0.2 NC[C@@H](O)[C@H](N)C(=O)O Amb30884414 [0,1,0,0,0,0|2,0,0]=3 1203 B8R0.2 NC[C@H](F)[C@H](F)C(=O)O Amb27224824 [0,1,0,0,0,0|3,0,0]=4 1204 B8R0.2 N[C@@H](C(=O)O)C(O)CBr Amb28245344 [0,1,0,0,0,0|2,0,0]=3 1205 B8R0.2 N[C@@H](C(=O)O)C(S)CO Amb27233478 [0,1,0,0,0,0|2,0,0]=3 1206 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO Amb24671346 [0,1,0,0,0,0|2,0,0]=3 1207 B8R0.2 N[C@H](C(=O)O)C(O)CCl Amb27212707 [0,1,0,0,0,0|2,0,0]=3 1208 B8R0.2 N[C@H](C(=O)O)C(O)CO Amb28255690 [0,1,0,0,0,0|2,0,0]=3 1209 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO Amb25678241 [0,1,0,0,0,0|2,0,0]=3 1210 B8R0.2 O=C(O)C(Br)C(Br)CBr Amb22347644 [0,1,0,0,0,0|3,0,0]=4 1211 B8R0.2 O=C(O)C(O)C(O)CO Amb22495524 [0,1,0,0,0,0|3,0,0]=4 1212 B8R0.2 O=C(O)[C@@H](F)[C@H](O)CO Amb27195151 [0,1,0,0,0,0|3,0,0]=4 1213 B8R0.2 O=C(O)[C@H](O)C(O)CO Amb27229496 [0,1,0,0,0,0|3,0,0]=4 1214 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO Amb27849401 [0,1,0,0,0,0|3,0,0]=4 1215 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO Amb32644462 [0,1,0,0,0,0|3,0,0]=4 1216 B8R0.2 O=CC(O)C(O)C(=O)O Amb18124399 [0,1,0,0,0,0|3,0,0]=4 1217 B8R0.2 O=C[C@H](O)[C@H](O)C(=O)O Amb27266059 [0,1,0,0,0,0|3,0,0]=4 1218 B8R0.3 C#CC(=O)C(C)CNC Amb27250908 [0,1,0,0,0,0|3,0,0]=4 1219 B8R0.3 C#CC(=O)C(C)CSC Amb28064285 [0,1,0,0,0,0|2,0,0]=3 1220 B8R0.3 C#CC(=O)[C@@H](N)CCC Amb35662325 [0,1,0,0,0,0|2,0,0]=3 1221 B8R0.3 C#CC(=O)[C@H](N)CCC Amb35659947 [0,1,0,0,0,0|2,0,0]=3 1222 B8R0.3 C#CC(O)C(N)CCC Amb30024095 [0,1,0,0,0,0|2,0,1]=4 1223 B8R0.3 C#CC(O)C(N)COC Amb29849503 [0,1,0,0,0,0|1,1,1]=4 1224 B8R0.3 C#CC(O)[C@@H](N)CCC Amb29889767 [0,1,0,0,0,0|2,0,1]=4 1225 B8R0.3 C#CC(O)[C@H](N)CCC Amb35662326 [0,1,0,0,0,0|2,0,1]=4 1226 B8R0.3 C#CCC(C)C(=O)OC Amb18115942 [0,1,0,0,0,0|2,0,1]=4 1227 B8R0.3 C#CCC(N)C(=O)C=C Amb27392873 [0,1,0,0,0,0|2,0,1]=4 1228 B8R0.3 C#CCC(N)C(=O)NN Amb24737524 [0,1,0,0,0,0|2,0,1]=4 1229 B8R0.3 C#CCC(N)C(=O)NN Amb32663420 [0,1,0,0,0,0|2,0,1]=4 1230 B8R0.3 C#CCC(N)C(=O)OC Amb24426865 [0,1,0,0,0,0|1,0,1]=3 1231 B8R0.3 C#CCC(N)C(=O)OC Amb32663324 [0,1,0,0,0,0|1,0,1]=3 1232 B8R0.3 C#CC[C@@H](N)C(=O)OC Amb26919399 [0,1,0,0,0,0|1,0,1]=3 1233 B8R0.3 C#CC[C@H](N)C(=O)OC Amb22746034 [0,1,0,0,0,0|1,0,1]=3 1234 B8R0.3 C#CC[C@H](N)C(=O)OC Amb27870421 [0,1,0,0,0,0|1,0,1]=3 1235 B8R0.3 C=C(CCC)C(=O)OC Amb25689366 [0,1,0,0,0,0|2,0,1]=4 1236 B8R0.3 C=C(CNC)C(=O)OC Amb27968604 [0,1,0,0,0,0|2,0,1]=4 1237 B8R0.3 C=C(COC)C(=O)OC Amb27172332 [0,1,0,0,0,0|1,1,1]=4 1238 B8R0.3 C=C=CC(N)C(=O)OC Amb27393031 [0,1,0,0,0,0|1,0,2]=4 1239 B8R0.3 C=CC(=O)C(C)CCC Amb25967399 [0,1,0,0,0,0|3,0,0]=4 1240 B8R0.3 C=CC(=O)C(N)CCC Amb27251910 [0,1,0,0,0,0|2,0,0]=3 1241 B8R0.3 C=CC(=O)C(O)CCC Amb27461859 [0,1,0,0,0,0|3,0,0]=4 1242 B8R0.3 C=CC(O)C(C)CSC Amb28189720 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.3 C=CCC(C)C(=O)OC Amb27787724 [0,1,0,0,0,0|2,0,1]=4 1244 B8R0.3 C=CCC(Cl)C(=O)OC Amb25365264 [0,1,0,0,0,0|2,0,1]=4 1245 B8R0.3 C=CCC(N)C(=O)NO Amb28322025 [0,1,0,0,0,0|1,0,1]=3 1246 B8R0.3 C=CCC(N)C(=O)OC Amb18642703 [0,1,0,0,0,0|1,0,1]=3 1247 B8R0.3 C=CCC(N)C(=O)OC Amb22757544 [0,1,0,0,0,0|1,0,1]=3 1248 B8R0.3 C=CCC(O)C(=O)OC Amb28435077 [0,1,0,0,0,0|2,0,1]=4 1249 B8R0.3 C=CC[C@@H](N)C(=O)OC Amb24635550 [0,1,0,0,0,0|1,0,1]=3 1250 B8R0.3 C=CC[C@@H](N)C(=O)OC Amb33868785 [0,1,0,0,0,0|1,0,1]=3 1251 B8R0.3 C=CC[C@H](N)C(=O)OC Amb22750599 [0,1,0,0,0,0|1,0,1]=3 1252 B8R0.3 C=CC[C@H](N)C(=O)OC Amb24120340 [0,1,0,0,0,0|1,0,1]=3 1253 B8R0.3 CC#CC(N)C(=O)OC Amb27625818 [0,1,0,0,0,0|1,0,1]=3 1254 B8R0.3 CC#CC(O)C(=O)OC Amb27233768 [0,1,0,0,0,0|2,0,1]=4 1255 B8R0.3 CC(CCN)C(=O)CO Amb24478589 [0,1,0,0,0,0|3,0,0]=4 1256 B8R0.3 CCC(=O)C(Br)COC Amb28121135 [0,1,0,0,0,0|2,1,0]=4 1257 B8R0.3 CCC(=O)C(C)CNC Amb27961495 [0,1,0,0,0,0|3,0,0]=4 1258 B8R0.3 CCC(=O)C(C)COC Amb27960816 [0,1,0,0,0,0|2,1,0]=4 1259 B8R0.3 CCC(=O)C(C)SSC Amb27861392 [0,1,0,0,0,0|3,0,0]=4 1260 B8R0.3 CCCC(Br)C(=O)CBr Amb27229993 [0,1,0,0,0,0|3,0,0]=4 1261 B8R0.3 CCCC(Br)C(=O)OC Amb20621576 [0,1,0,0,0,0|2,0,0]=3 1262 B8R0.3 CCCC(C)C(=O)CC Amb17593350 [0,1,0,0,0,0|3,0,0]=4 1263 B8R0.3 CCCC(C)C(=O)CCl Amb24568325 [0,1,0,0,0,0|3,0,0]=4 1264 B8R0.3 CCCC(C)C(=O)CN Amb25686985 [0,1,0,0,0,0|3,0,0]=4 1265 B8R0.3 CCCC(Cl)C(=O)NC Amb27878145 [0,1,0,0,0,0|3,0,0]=4 1266 B8R0.3 CCCC(Cl)C(=O)OF Amb28399722 [0,1,0,0,0,0|2,0,0]=3 1267 B8R0.3 CCCC(Cl)\C(Cl)=N\O Amb27659357 [0,1,0,0,0,0|3,0,0]=4 1268 B8R0.3 CCCC(N)C(=O)NC Amb9514804 [0,1,0,0,0,0|2,0,0]=3 1269 B8R0.3 CCCC(N)C(=O)NO Amb22059373 [0,1,0,0,0,0|1,0,0]=2 1270 B8R0.3 CCCC(N)C(=O)OC Amb2786376 [0,1,0,0,0,0|1,0,0]=2 1271 B8R0.3 CCCC(N)C(=O)OC Amb33549293 [0,1,0,0,0,0|1,0,0]=2 1272 B8R0.3 CCCC(N)C(O)CI Amb27492943 [0,1,0,0,0,0|2,0,1]=4 1273 B8R0.3 CCCC(N)\C(N)=N\O Amb24749079 [0,1,0,0,0,0|2,0,0]=3 1274 B8R0.3 CCCC(N)\C(O)=N\O Amb20669260 [0,1,0,0,0,0|1,0,1]=3 1275 B8R0.3 CCCC(O)C(=O)CO Amb27802691 [0,1,0,0,0,0|2,0,0]=3 1276 B8R0.3 CCCC(O)C(=O)NC Amb25944249 [0,1,0,0,0,0|3,0,0]=4 1277 B8R0.3 CCCC(O)C(=O)OC Amb23454534 [0,1,0,0,0,0|2,0,0]=3 1278 B8R0.3 CCCN(N)C(=O)CC Amb33191590 [0,1,0,0,0,0|3,0,0]=4 1279 B8R0.3 CCCN(N)C(=O)OC Amb33191592 [0,1,0,0,0,0|2,0,0]=3 1280 B8R0.3 CCC[C@@H](Br)C(=O)OC Amb27166248 [0,1,0,0,0,0|2,0,0]=3 1281 B8R0.3 CCC[C@@H](Cl)C(=O)OC Amb27179954 [0,1,0,0,0,0|2,0,0]=3 1282 B8R0.3 CCC[C@@H](N)C(=O)NN Amb27844787 [0,1,0,0,0,0|2,0,0]=3 1283 B8R0.3 CCC[C@@H](N)C(=O)NO Amb28314574 [0,1,0,0,0,0|1,0,0]=2 1284 B8R0.3 CCC[C@@H](N)C(=O)OC Amb25146086 [0,1,0,0,0,0|1,0,0]=2 1285 B8R0.3 CCC[C@@H](N)C(=O)OC Amb30526950 [0,1,0,0,0,0|1,0,0]=2 1286 B8R0.3 CCC[C@@H](O)C(=O)CO Amb27802757 [0,1,0,0,0,0|2,0,0]=3 1287 B8R0.3 CCC[C@@H](O)C(=O)OC Amb28344665 [0,1,0,0,0,0|2,0,0]=3 1288 B8R0.3 CCC[C@H](Br)C(=O)OC Amb28346240 [0,1,0,0,0,0|2,0,0]=3 1289 B8R0.3 CCC[C@H](C)C(=O)OC Amb28344077 [0,1,0,0,0,0|2,0,0]=3 1290 B8R0.3 CCC[C@H](F)C(=O)CC Amb28351547 [0,1,0,0,0,0|3,0,0]=4 1291 B8R0.3 CCC[C@H](N)C(=O)NC Amb25991661 [0,1,0,0,0,0|2,0,0]=3 1292 B8R0.3 CCC[C@H](N)C(=O)OC Amb10844887 [0,1,0,0,0,0|1,0,0]=2 1293 B8R0.3 CCC[C@H](N)C(=O)OC Amb17942871 [0,1,0,0,0,0|1,0,0]=2 1294 B8R0.3 CCC[C@H](O)C(=O)CO Amb27838685 [0,1,0,0,0,0|2,0,0]=3 1295 B8R0.3 CCNC(C)C(=O)OC Amb19003120 [0,1,0,0,0,0|3,0,0]=4 1296 B8R0.3 CCNC(C)C(=O)OC Amb32751752 [0,1,0,0,0,0|3,0,0]=4 1297 B8R0.3 CCN[C@@H](C)C(=O)OC Amb9228630 [0,1,0,0,0,0|3,0,0]=4 1298 B8R0.3 CCOC(Br)C(=O)OC Amb28342296 [0,1,0,0,0,0|3,0,0]=4 1299 B8R0.3 CCO[C@@H](C)C(=O)OC Amb28060813 [0,1,0,0,0,0|3,0,0]=4 1300 B8R0.3 CCSC(Cl)C(=O)OC Amb27845442 [0,1,0,0,0,0|3,0,0]=4 1301 B8R0.3 CC\C=C(\N)C(=O)OC Amb27255558 [0,1,0,0,0,0|1,0,2]=4 1302 B8R0.3 CNC(=O)[C@@H](N)CCN Amb28197475 [0,1,0,0,0,0|3,0,0]=4 1303 B8R0.3 CNCC(C)C(=O)NC Amb20623735 [0,1,0,0,0,0|3,0,0]=4 1304 B8R0.3 CNCC(C)C(=O)NO Amb28120671 [0,1,0,0,0,0|2,0,0]=3 1305 B8R0.3 CNCC(C)C(=O)OC Amb9288459 [0,1,0,0,0,0|2,0,0]=3 1306 B8R0.3 CNCC(C)\C(N)=N\O Amb24707863 [0,1,0,0,0,0|3,0,0]=4 1307 B8R0.3 CNCC(N)C(=O)OC Amb27758128 [0,1,0,0,0,0|1,0,0]=2 1308 B8R0.3 COC(=O)C(Br)CCBr Amb4441764 [0,1,0,0,0,0|3,0,0]=4 1309 B8R0.3 COC(=O)C(Br)CCCl Amb27424625 [0,1,0,0,0,0|3,0,0]=4 1310 B8R0.3 COC(=O)C(Br)CSC Amb28321151 [0,1,0,0,0,0|1,0,0]=2 1311 B8R0.3 COC(=O)C(C)CC#N Amb17334094 [0,1,0,0,0,0|3,0,0]=4 1312 B8R0.3 COC(=O)C(C)CC=O Amb18642746 [0,1,0,0,0,0|3,0,0]=4 1313 B8R0.3 COC(=O)C(C)CCBr Amb26493267 [0,1,0,0,0,0|3,0,0]=4 1314 B8R0.3 COC(=O)C(C)CCCl Amb16230918 [0,1,0,0,0,0|3,0,0]=4 1315 B8R0.3 COC(=O)C(C)CCN Amb26438013 [0,1,0,0,0,0|3,0,0]=4 1316 B8R0.3 COC(=O)C(C)CCN Amb31156338 [0,1,0,0,0,0|3,0,0]=4 1317 B8R0.3 COC(=O)C(C)CON Amb27944891 [0,1,0,0,0,0|2,1,0]=4 1318 B8R0.3 COC(=O)C(C)CSC Amb28203970 [0,1,0,0,0,0|1,0,0]=2 1319 B8R0.3 COC(=O)C(F)CCN Amb22388532 [0,1,0,0,0,0|3,0,0]=4 1320 B8R0.3 COC(=O)C(N)CC#N Amb26573884 [0,1,0,0,0,0|2,0,0]=3 1321 B8R0.3 COC(=O)C(N)CCBr Amb2695255 [0,1,0,0,0,0|2,0,0]=3 1322 B8R0.3 COC(=O)C(N)CCBr Amb4296941 [0,1,0,0,0,0|2,0,0]=3 1323 B8R0.3 COC(=O)C(N)CCCl Amb27855259 [0,1,0,0,0,0|2,0,0]=3 1324 B8R0.3 COC(=O)C(N)CCF Amb25066743 [0,1,0,0,0,0|2,0,0]=3 1325 B8R0.3 COC(=O)C(N)CCN Amb24113143 [0,1,0,0,0,0|2,0,0]=3 1326 B8R0.3 COC(=O)C(N)CCN Amb25733368 [0,1,0,0,0,0|2,0,0]=3 1327 B8R0.3 COC(=O)C(N)CCO Amb18305497 [0,1,0,0,0,0|2,0,0]=3 1328 B8R0.3 COC(=O)C(N)CON Amb27451370 [0,1,0,0,0,0|1,1,0]=3 1329 B8R0.3 COC(=O)C(N)CON Amb33329476 [0,1,0,0,0,0|1,1,0]=3 1330 B8R0.3 COC(=O)C(N)CSC Amb19878256 [0,1,0,0,0,0|0,0,0]=1 1331 B8R0.3 COC(=O)C(N)CSC Amb22052594 [0,1,0,0,0,0|0,0,0]=1 1332 B8R0.3 COC(=O)C(O)CC#N Amb25716720 [0,1,0,0,0,0|3,0,0]=4 1333 B8R0.3 COC(=O)C(O)CCBr Amb28385691 [0,1,0,0,0,0|3,0,0]=4 1334 B8R0.3 COC(=O)C(O)CCF Amb25114455 [0,1,0,0,0,0|3,0,0]=4 1335 B8R0.3 COC(=O)C(O)CCN Amb26960420 [0,1,0,0,0,0|3,0,0]=4 1336 B8R0.3 COC(=O)C(O)CSC Amb26009506 [0,1,0,0,0,0|1,0,0]=2 1337 B8R0.3 COC(=O)[C@@H](N)CCBr Amb2695271 [0,1,0,0,0,0|2,0,0]=3 1338 B8R0.3 COC(=O)[C@@H](N)CCBr Amb4296950 [0,1,0,0,0,0|2,0,0]=3 1339 B8R0.3 COC(=O)[C@@H](N)CCI Amb27806573 [0,1,0,0,0,0|2,0,0]=3 1340 B8R0.3 COC(=O)[C@@H](N)CCN Amb25727598 [0,1,0,0,0,0|2,0,0]=3 1341 B8R0.3 COC(=O)[C@@H](N)CCN Amb32658006 [0,1,0,0,0,0|2,0,0]=3 1342 B8R0.3 COC(=O)[C@@H](N)CCO Amb24746756 [0,1,0,0,0,0|2,0,0]=3 1343 B8R0.3 COC(=O)[C@@H](N)CSC Amb15701265 [0,1,0,0,0,0|0,0,0]=1 1344 B8R0.3 COC(=O)[C@@H](N)CSC Amb17322841 [0,1,0,0,0,0|0,0,0]=1 1345 B8R0.3 COC(=O)[C@@H](O)CCN Amb25146066 [0,1,0,0,0,0|3,0,0]=4 1346 B8R0.3 COC(=O)[C@@H](O)CCN Amb33457506 [0,1,0,0,0,0|3,0,0]=4 1347 B8R0.3 COC(=O)[C@@H](O)CCO Amb27406740 [0,1,0,0,0,0|3,0,0]=4 1348 B8R0.3 COC(=O)[C@H](C)CC=O Amb28388611 [0,1,0,0,0,0|3,0,0]=4 1349 B8R0.3 COC(=O)[C@H](C)CCO Amb28134520 [0,1,0,0,0,0|3,0,0]=4 1350 B8R0.3 COC(=O)[C@H](N)CCBr Amb2695267 [0,1,0,0,0,0|2,0,0]=3 1351 B8R0.3 COC(=O)[C@H](N)CCO Amb26475851 [0,1,0,0,0,0|2,0,0]=3 1352 B8R0.3 COC(=O)[C@H](N)CON Amb27949646 [0,1,0,0,0,0|1,1,0]=3 1353 B8R0.3 COC(=O)[C@H](N)CSC Amb27788444 [0,1,0,0,0,0|0,0,0]=1 1354 B8R0.3 COC(=O)[C@H](O)CCBr Amb27863444 [0,1,0,0,0,0|3,0,0]=4 1355 B8R0.3 COC(=O)[C@H](O)CCO Amb28315513 [0,1,0,0,0,0|3,0,0]=4 1356 B8R0.3 COCC(Br)C(=O)OC Amb10070673 [0,1,0,0,0,0|1,1,0]=3 1357 B8R0.3 COCC(Cl)C(=N)OC Amb27657220 [0,1,0,0,0,0|2,1,0]=4 1358 B8R0.3 COCC(Cl)C(=O)OC Amb27477958 [0,1,0,0,0,0|1,1,0]=3 1359 B8R0.3 COCC(N)C(=O)NO Amb27838499 [0,1,0,0,0,0|0,1,0]=2 1360 B8R0.3 COCC(N)C(=O)OC Amb23454660 [0,1,0,0,0,0|0,1,0]=2 1361 B8R0.3 COCC(N)C(=O)OC Amb32941874 [0,1,0,0,0,0|0,1,0]=2 1362 B8R0.3 COCC(N)C(C)OC Amb28079381 [0,1,0,0,0,0|1,1,1]=4 1363 B8R0.3 COCC(O)C(=O)OC Amb23596463 [0,1,0,0,0,0|1,1,0]=3 1364 B8R0.3 COCN(C)C(=O)CO Amb27472523 [0,1,0,0,0,0|2,1,0]=4 1365 B8R0.3 COCN(C)C(=O)OC Amb27201767 [0,1,0,0,0,0|2,1,0]=4 1366 B8R0.3 COC[C@@H](N)C(=O)OC Amb33871640 [0,1,0,0,0,0|0,1,0]=2 1367 B8R0.3 COC[C@@H](O)C(=O)CO Amb27180388 [0,1,0,0,0,0|1,1,0]=3 1368 B8R0.3 COC[C@@H](O)[C@H](O)C=O Amb28121213 [0,1,0,0,0,0|1,1,1]=4 1369 B8R0.3 COC[C@H](N)C(=O)OC Amb27882809 [0,1,0,0,0,0|0,1,0]=2 1370 B8R0.3 CONC(C)C(=O)OC Amb32729489 [0,1,0,0,0,0|2,1,0]=4 1371 B8R0.3 CSCC(C)C(=O)NN Amb27207902 [0,1,0,0,0,0|2,0,0]=3 1372 B8R0.3 CSCC(C)C(O)CO Amb28064153 [0,1,0,0,0,0|1,0,2]=4 1373 B8R0.3 CSCC(C)N(C)C=O Amb27406085 [0,1,0,0,0,0|3,0,0]=4 1374 B8R0.3 CSCC(C)\C(N)=N\O Amb27217313 [0,1,0,0,0,0|2,0,0]=3 1375 B8R0.3 CSCC(N)C(=O)NN Amb27951018 [0,1,0,0,0,0|1,0,0]=2 1376 B8R0.3 CSCC(O)C(=O)CO Amb28141435 [0,1,0,0,0,0|1,0,0]=2 1377 B8R0.3 CSCN(C)C(=O)CCl Amb27468689 [0,1,0,0,0,0|3,0,0]=4 1378 B8R0.3 C\C=C\C(Br)C(=O)OC Amb27476466 [0,1,0,0,0,0|2,0,1]=4 1379 B8R0.3 NC(CCO)C(O)C=O Amb28123154 [0,1,0,0,0,0|2,0,1]=4 1380 B8R0.8 C#CCCC(C)C(=O)O Amb27464960 [0,1,0,0,0,0|2,0,1]=4 1381 B8R0.8 C#CCCC(N)C(=O)O Amb6277526 [0,1,0,0,0,0|1,0,1]=3 1382 B8R0.8 C#CCCC(N)C(N)=O Amb25703121 [0,1,0,0,0,0|2,0,1]=4 1383 B8R0.8 C#CCC[C@@H](N)C(=O)O Amb24088809 [0,1,0,0,0,0|1,0,1]=3 1384 B8R0.8 C#CCC[C@H](N)C(=O)O Amb24088866 [0,1,0,0,0,0|1,0,1]=3 1385 B8R0.8 C#CCC[C@H](N)C(=O)O Amb33744060 [0,1,0,0,0,0|1,0,1]=3 1386 B8R0.8 C#CCNC(C)C(=O)O Amb9327029 [0,1,0,0,0,0|2,0,1]=4 1387 B8R0.8 C#CCN[C@H](C)C(=O)O Amb27815665 [0,1,0,0,0,0|2,0,1]=4 1388 B8R0.8 C#CCOC(C)C(=O)O Amb9208661 [0,1,0,0,0,0|2,0,1]=4 1389 B8R0.8 C#CCO[C@H](C)C(=O)O Amb28042909 [0,1,0,0,0,0|2,0,1]=4 1390 B8R0.8 C#CCSC(C)C(=O)O Amb6274343 [0,1,0,0,0,0|2,0,1]=4 1391 B8R0.8 C=C(C)C(N)CSCC Amb27252910 [0,1,0,0,0,0|2,0,0]=3 1392 B8R0.8 C=C(CCCC)C(=O)O Amb18642649 [0,1,0,0,0,0|2,0,1]=4 1393 B8R0.8 C=C(CCCO)C(=O)O Amb28313844 [0,1,0,0,0,0|2,0,1]=4 1394 B8R0.8 C=C(CCOC)C(=O)O Amb26588153 [0,1,0,0,0,0|1,1,1]=4 1395 B8R0.8 C=C(CCSC)C(=O)O Amb27188177 [0,1,0,0,0,0|1,0,1]=3 1396 B8R0.8 C=C(COCC)C(=O)O Amb27444042 [0,1,0,0,0,0|1,1,1]=4 1397 B8R0.8 C=C(CSCC)C(=O)O Amb26023918 [0,1,0,0,0,0|1,0,1]=3 1398 B8R0.8 C=C(OCOC)C(=O)O Amb27467648 [0,1,0,0,0,0|1,1,1]=4 1399 B8R0.8 C=C=CCC(N)C(=O)O Amb25843448 [0,1,0,0,0,0|1,0,1]=3 1400 B8R0.8 C=C=CC[C@@H](N)C(=O)O Amb28070890 [0,1,0,0,0,0|1,0,1]=3 1401 B8R0.8 C=C=CC[C@@H](N)C(N)=O Amb27623437 [0,1,0,0,0,0|2,0,1]=4 1402 B8R0.8 C=CCCC(Br)C(=O)O Amb28047448 [0,1,0,0,0,0|2,0,1]=4 1403 B8R0.8 C=CCCC(C)C(=O)O Amb18642656 [0,1,0,0,0,0|2,0,1]=4 1404 B8R0.8 C=CCCC(N)C(=O)O Amb24383848 [0,1,0,0,0,0|1,0,1]=3 1405 B8R0.8 C=CCCC(N)C(=O)O Amb28934988 [0,1,0,0,0,0|1,0,1]=3 1406 B8R0.8 C=CCCC(N)C(N)=O Amb24333721 [0,1,0,0,0,0|2,0,1]=4 1407 B8R0.8 C=CCC[C@@H](N)C(=O)O Amb23439045 [0,1,0,0,0,0|1,0,1]=3 1408 B8R0.8 C=CCC[C@@H](N)C(N)=O Amb27168705 [0,1,0,0,0,0|2,0,1]=4 1409 B8R0.8 C=CCC[C@H](N)C(=O)O Amb28285244 [0,1,0,0,0,0|1,0,1]=3 1410 B8R0.8 C=CCC[C@H](O)C(=O)O Amb28122952 [0,1,0,0,0,0|2,0,1]=4 1411 B8R0.8 C=CCNC(C)C(=O)O Amb9326762 [0,1,0,0,0,0|2,0,1]=4 1412 B8R0.8 C=CCOC(C)C(=O)O Amb9208699 [0,1,0,0,0,0|2,0,1]=4 1413 B8R0.8 C=CCSC(C)C(=O)O Amb6273705 [0,1,0,0,0,0|2,0,1]=4 1414 B8R0.8 C=CSCC(N)C(=O)O Amb28321669 [0,1,0,0,0,0|0,0,1]=2 1415 B8R0.8 C=C\C=C\[C@H](N)C(=O)O Amb28324791 [0,1,0,0,0,0|1,0,2]=4 1416 B8R0.8 CC#CCC(C)C(=O)O Amb28281174 [0,1,0,0,0,0|2,0,0]=3 1417 B8R0.8 CC#CCC(C)C(C)=O Amb28049063 [0,1,0,0,0,0|3,0,0]=4 1418 B8R0.8 CC#CCC(N)C(=O)O Amb18988250 [0,1,0,0,0,0|1,0,0]=2 1419 B8R0.8 CC#CCC(N)C(=O)O Amb33551077 [0,1,0,0,0,0|1,0,0]=2 1420 B8R0.8 CC#CCC(N)C(N)=O Amb25793338 [0,1,0,0,0,0|2,0,0]=3 1421 B8R0.8 CC#CC[C@@H](N)C(=O)O Amb22746783 [0,1,0,0,0,0|1,0,0]=2 1422 B8R0.8 CC#CC[C@H](N)C(=O)O Amb27815040 [0,1,0,0,0,0|1,0,0]=2 1423 B8R0.8 CC(=O)C(C)CCCF Amb27593343 [0,1,0,0,0,0|3,0,0]=4 1424 B8R0.8 CC(=O)C(C)CCCO Amb27628329 [0,1,0,0,0,0|3,0,0]=4 1425 B8R0.8 CC(=O)C(Cl)CCCO Amb27860344 [0,1,0,0,0,0|3,0,0]=4 1426 B8R0.8 CC(=O)N(N)CCCN Amb27404575 [0,1,0,0,0,0|3,0,0]=4 1427 B8R0.8 CC(=O)[C@@H](N)CCCO Amb27835141 [0,1,0,0,0,0|2,0,0]=3 1428 B8R0.8 CC(CCC#N)C(=O)O Amb24462559 [0,1,0,0,0,0|2,0,1]=4 1429 B8R0.8 CC(CCCCl)C(=O)O Amb2720283 [0,1,0,0,0,0|2,0,0]=3 1430 B8R0.8 CC(CCCF)C(=O)O Amb25244585 [0,1,0,0,0,0|2,0,0]=3 1431 B8R0.8 CC(CCCN)C(=O)O Amb25146072 [0,1,0,0,0,0|2,0,0]=3 1432 B8R0.8 CC(CCCN)C(=O)O Amb32686960 [0,1,0,0,0,0|2,0,0]=3 1433 B8R0.8 CC(CCCN)C(N)=O Amb27667997 [0,1,0,0,0,0|3,0,0]=4 1434 B8R0.8 CC(CN=C=O)C(=O)O Amb33471309 [0,1,0,0,0,0|2,0,1]=4 1435 B8R0.8 CC(CN=C=S)C(=O)O Amb33471538 [0,1,0,0,0,0|2,0,1]=4 1436 B8R0.8 CC(CNC#N)C(=O)O Amb35634505 [0,1,0,0,0,0|2,0,1]=4 1437 B8R0.8 CC(C\C=N\O)C(=O)O Amb27217284 [0,1,0,0,0,0|3,0,0]=4 1438 B8R0.8 CC(NCCS)C(=O)O Amb28057720 [0,1,0,0,0,0|3,0,0]=4 1439 B8R0.8 CC(OCC#N)C(=O)O Amb27465969 [0,1,0,0,0,0|3,0,0]=4 1440 B8R0.8 CC(OCCF)C(=O)O Amb27240801 [0,1,0,0,0,0|3,0,0]=4 1441 B8R0.8 CC(OCCN)C(=O)O Amb22546285 [0,1,0,0,0,0|3,0,0]=4 1442 B8R0.8 CC(OCCO)C(=O)O Amb6680915 [0,1,0,0,0,0|3,0,0]=4 1443 B8R0.8 CC(OCCS)C(=O)O Amb27857332 [0,1,0,0,0,0|3,0,0]=4 1444 B8R0.8 CC(SCC#N)C(=O)O Amb6260833 [0,1,0,0,0,0|3,0,0]=4 1445 B8R0.8 CC(SCCCl)C(=O)O Amb27404902 [0,1,0,0,0,0|3,0,0]=4 1446 B8R0.8 CC(SCCN)C(=O)O Amb17500447 [0,1,0,0,0,0|3,0,0]=4 1447 B8R0.8 CCCCC(=O)C(=O)O Amb18642761 [0,1,0,0,0,0|2,0,1]=4 1448 B8R0.8 CCCCC(Br)C(=O)Br Amb22347914 [0,1,0,0,0,0|3,0,0]=4 1449 B8R0.8 CCCCC(Br)C(=O)Cl Amb17569836 [0,1,0,0,0,0|3,0,0]=4 1450 B8R0.8 CCCCC(Br)C(=O)O Amb9703129 [0,1,0,0,0,0|2,0,0]=3 1451 B8R0.8 CCCCC(Br)C(N)=O Amb19514624 [0,1,0,0,0,0|3,0,0]=4 1452 B8R0.8 CCCCC(C)C(=O)O Amb3939937 [0,1,0,0,0,0|2,0,0]=3 1453 B8R0.8 CCCCC(C)C(C)=O Amb4034582 [0,1,0,0,0,0|3,0,0]=4 1454 B8R0.8 CCCCC(C)C(N)=O Amb8504697 [0,1,0,0,0,0|3,0,0]=4 1455 B8R0.8 CCCCC(Cl)C(=O)O Amb17593750 [0,1,0,0,0,0|2,0,0]=3 1456 B8R0.8 CCCCC(Cl)C(N)=O Amb27803407 [0,1,0,0,0,0|3,0,0]=4 1457 B8R0.8 CCCCC(F)C(=O)O Amb25238781 [0,1,0,0,0,0|2,0,0]=3 1458 B8R0.8 CCCCC(F)C(C)=O Amb27228475 [0,1,0,0,0,0|3,0,0]=4 1459 B8R0.8 CCCCC(F)C(N)=O Amb28060527 [0,1,0,0,0,0|3,0,0]=4 1460 B8R0.8 CCCCC(N)B(O)O Amb26622066 [0,1,0,0,0,0|2,0,1]=4 1461 B8R0.8 CCCCC(N)C(=O)O Amb4134813 [0,1,0,0,0,0|1,0,0]=2 1462 B8R0.8 CCCCC(N)C(C)=O Amb1099238 [0,1,0,0,0,0|2,0,0]=3 1463 B8R0.8 CCCCC(N)C(C)=O Amb22284085 [0,1,0,0,0,0|2,0,0]=3 1464 B8R0.8 CCCCC(N)C(C)O Amb24351619 [0,1,0,0,0,0|2,0,1]=4 1465 B8R0.8 CCCCC(N)C(C)O Amb28935013 [0,1,0,0,0,0|2,0,1]=4 1466 B8R0.8 CCCCC(N)C(N)=O Amb18303664 [0,1,0,0,0,0|2,0,0]=3 1467 B8R0.8 CCCCC(N)[PH](=O)O Amb27863480 [0,1,0,0,0,0|2,0,0]=3 1468 B8R0.8 CCCCC(O)C(=O)O Amb3941634 [0,1,0,0,0,0|2,0,0]=3 1469 B8R0.8 CCCCC(O)C(C)=O Amb27877068 [0,1,0,0,0,0|3,0,0]=4 1470 B8R0.8 CCCCC(O)C(N)=O Amb24116640 [0,1,0,0,0,0|3,0,0]=4 1471 B8R0.8 CCCCC(O)[PH](=O)O Amb27488929 [0,1,0,0,0,0|3,0,0]=4 1472 B8R0.8 CCCCC(S)C(=O)O Amb25323873 [0,1,0,0,0,0|2,0,0]=3 1473 B8R0.8 CCCCN(N)C(C)=O Amb33191476 [0,1,0,0,0,0|3,0,0]=4 1474 B8R0.8 CCCC[C@@H](C)C(=O)O Amb24590691 [0,1,0,0,0,0|2,0,0]=3 1475 B8R0.8 CCCC[C@@H](Cl)C(=O)O Amb27471038 [0,1,0,0,0,0|2,0,0]=3 1476 B8R0.8 CCCC[C@@H](N)C(=O)O Amb1995006 [0,1,0,0,0,0|1,0,0]=2 1477 B8R0.8 CCCC[C@H](Br)C(=O)O Amb28385588 [0,1,0,0,0,0|2,0,0]=3 1478 B8R0.8 CCCC[C@H](C)C(=O)O Amb25850678 [0,1,0,0,0,0|2,0,0]=3 1479 B8R0.8 CCCC[C@H](Cl)C(=O)Cl Amb28291526 [0,1,0,0,0,0|3,0,0]=4 1480 B8R0.8 CCCC[C@H](Cl)C(=O)O Amb27955265 [0,1,0,0,0,0|2,0,0]=3 1481 B8R0.8 CCCC[C@H](N)C(=O)O Amb1995007 [0,1,0,0,0,0|1,0,0]=2 1482 B8R0.8 CCCC[C@H](N)C(N)=O Amb9813732 [0,1,0,0,0,0|2,0,0]=3 1483 B8R0.8 CCCC[C@H](O)C(=O)O Amb27626002 [0,1,0,0,0,0|2,0,0]=3 1484 B8R0.8 CCCNC(=O)C(=O)O Amb9303791 [0,1,0,0,0,0|2,0,1]=4 1485 B8R0.8 CCCNC(C)C(=O)O Amb9326994 [0,1,0,0,0,0|2,0,0]=3 1486 B8R0.8 CCCN[C@H](C)C(=O)O Amb28073462 [0,1,0,0,0,0|2,0,0]=3 1487 B8R0.8 CCCOC(=O)C(=O)O Amb28399593 [0,1,0,0,0,0|2,0,1]=4 1488 B8R0.8 CCCOC(C)C(=O)O Amb8874518 [0,1,0,0,0,0|2,0,0]=3 1489 B8R0.8 CCCOC(C)C(N)=O Amb27424673 [0,1,0,0,0,0|3,0,0]=4 1490 B8R0.8 CCCSC(=S)C(=O)O Amb27808849 [0,1,0,0,0,0|2,0,1]=4 1491 B8R0.8 CCCSC(C)C(=O)O Amb6274283 [0,1,0,0,0,0|2,0,0]=3 1492 B8R0.8 CCCSC(C)C(N)=O Amb28070722 [0,1,0,0,0,0|3,0,0]=4 1493 B8R0.8 CCCSC(F)C(=O)O Amb27655346 [0,1,0,0,0,0|2,0,0]=3 1494 B8R0.8 CCCSC(N)C(=O)O Amb27865736 [0,1,0,0,0,0|1,0,0]=2 1495 B8R0.8 CCCSC(O)C(=O)O Amb27592135 [0,1,0,0,0,0|2,0,0]=3 1496 B8R0.8 CCC\C=C(/Br)C(=O)O Amb27816159 [0,1,0,0,0,0|2,0,1]=4 1497 B8R0.8 CCC\C=C(/C)C(=O)O Amb10844998 [0,1,0,0,0,0|2,0,1]=4 1498 B8R0.8 CCC\C=C(\F)C(=O)O Amb27448669 [0,1,0,0,0,0|2,0,1]=4 1499 B8R0.8 CCNCC(C)C(=O)O Amb13952782 [0,1,0,0,0,0|2,0,0]=3 1500 B8R0.8 CCNCC(C)C(=O)O Amb9400285 [0,1,0,0,0,0|2,0,0]=3 1501 B8R0.8 CCNCC(C)C(N)=O Amb8944545 [0,1,0,0,0,0|3,0,0]=4 1502 B8R0.8 CCNCC(O)C(N)=O Amb28049207 [0,1,0,0,0,0|3,0,0]=4 1503 B8R0.8 CCOCC(Br)C(=O)O Amb28458425 [0,1,0,0,0,0|1,1,0]=3 1504 B8R0.8 CCOCC(C)C(=O)O Amb9172215 [0,1,0,0,0,0|1,1,0]=3 1505 B8R0.8 CCOCC(C)C(N)=O Amb28067564 [0,1,0,0,0,0|2,1,0]=4 1506 B8R0.8 CCOCC(N)C(=O)O Amb28048685 [0,1,0,0,0,0|0,1,0]=2 1507 B8R0.8 CCOCC(N)C(=O)O Amb33542705 [0,1,0,0,0,0|0,1,0]=2 1508 B8R0.8 CCOCC(N)C(N)=O Amb26973746 [0,1,0,0,0,0|1,1,0]=3 1509 B8R0.8 CCOC[C@@H](C)C(=O)O Amb25790635 [0,1,0,0,0,0|1,1,0]=3 1510 B8R0.8 CCOC[C@@H](N)C(=O)O Amb25889733 [0,1,0,0,0,0|0,1,0]=2 1511 B8R0.8 CCOC[C@@H](N)C(=O)O Amb30585227 [0,1,0,0,0,0|0,1,0]=2 1512 B8R0.8 CCOC[C@@H](O)C(=O)O Amb33347463 [0,1,0,0,0,0|1,1,0]=3 1513 B8R0.8 CCOC[C@H](C)C(=O)O Amb10844265 [0,1,0,0,0,0|1,1,0]=3 1514 B8R0.8 CCOC[C@H](N)C(=O)O Amb22737184 [0,1,0,0,0,0|0,1,0]=2 1515 B8R0.8 CCOC[C@H](N)C(=O)O Amb24478577 [0,1,0,0,0,0|0,1,0]=2 1516 B8R0.8 CCSCC(C)C(=O)O Amb9400067 [0,1,0,0,0,0|1,0,0]=2 1517 B8R0.8 CCSCC(C)C(C)=O Amb27409600 [0,1,0,0,0,0|2,0,0]=3 1518 B8R0.8 CCSCC(N)C(=O)O Amb6257004 [0,1,0,0,0,0|0,0,0]=1 1519 B8R0.8 CCSCC(N)C(F)F Amb33404605 [0,1,0,0,0,0|2,0,1]=4 1520 B8R0.8 CCSCC(O)C(=O)O Amb27231753 [0,1,0,0,0,0|1,0,0]=2 1521 B8R0.8 CCSC[C@H](O)C(=O)O Amb27983830 [0,1,0,0,0,0|1,0,0]=2 1522 B8R0.8 CC\C=C\C(C)C(=O)O Amb33172515 [0,1,0,0,0,0|2,0,1]=4 1523 B8R0.8 CC\C=C\C(N)C(=O)O Amb33449874 [0,1,0,0,0,0|1,0,1]=3 1524 B8R0.8 CC\C=C\C(O)C(=O)O Amb27781864 [0,1,0,0,0,0|2,0,1]=4 1525 B8R0.8 CC\C=C\[C@@H](N)C(=O)O Amb27239476 [0,1,0,0,0,0|1,0,1]=3 1526 B8R0.8 CNCCC(C)C(N)=O Amb28368198 [0,1,0,0,0,0|3,0,0]=4 1527 B8R0.8 COCCC(=O)C(=O)O Amb27959741 [0,1,0,0,0,0|1,1,1]=4 1528 B8R0.8 COCCC(Br)C(=O)Cl Amb27209614 [0,1,0,0,0,0|2,1,0]=4 1529 B8R0.8 COCCC(C)C(=O)O Amb18523823 [0,1,0,0,0,0|1,1,0]=3 1530 B8R0.8 COCCC(Cl)C(=O)Cl Amb28118917 [0,1,0,0,0,0|2,1,0]=4 1531 B8R0.8 COCCC(Cl)C(=O)O Amb27424361 [0,1,0,0,0,0|1,1,0]=3 1532 B8R0.8 COCCC(N)C(=O)O Amb32675454 [0,1,0,0,0,0|0,1,0]=2 1533 B8R0.8 COCCC(N)C(=O)O Amb6281324 [0,1,0,0,0,0|0,1,0]=2 1534 B8R0.8 COCCC(N)C(N)=O Amb18311365 [0,1,0,0,0,0|1,1,0]=3 1535 B8R0.8 COCCC(N)C(N)=O Amb32712112 [0,1,0,0,0,0|1,1,0]=3 1536 B8R0.8 COCCC(O)C(=O)O Amb27647966 [0,1,0,0,0,0|1,1,0]=3 1537 B8R0.8 COCCN(C)C(=O)O Amb32677018 [0,1,0,0,0,0|2,1,0]=4 1538 B8R0.8 COCC[C@@H](N)C(=O)O Amb16183870 [0,1,0,0,0,0|0,1,0]=2 1539 B8R0.8 COCC[C@H](N)C(=O)O Amb16183872 [0,1,0,0,0,0|0,1,0]=2 1540 B8R0.8 COCC[C@H](N)C(=O)O Amb24054991 [0,1,0,0,0,0|0,1,0]=2 1541 B8R0.8 COCOC(C)C(=O)O Amb28120688 [0,1,0,0,0,0|1,1,0]=3 1542 B8R0.8 COCOC(C)C(C)=O Amb24563208 [0,1,0,0,0,0|2,1,0]=4 1543 B8R0.8 COCSC(C)C(=O)O Amb28410278 [0,1,0,0,0,0|1,1,0]=3 1544 B8R0.8 COCSC(C)C(C)=O Amb28189229 [0,1,0,0,0,0|2,1,0]=4 1545 B8R0.8 COC\C=C(\Br)C(=O)O Amb24580462 [0,1,0,0,0,0|1,1,1]=4 1546 B8R0.8 COC\C=C(\C)C(=O)O Amb27169036 [0,1,0,0,0,0|1,1,1]=4 1547 B8R0.8 COC\C=C(\F)C(=O)O Amb27872029 [0,1,0,0,0,0|1,1,1]=4 1548 B8R0.8 CONCC(N)C(N)=O Amb27216151 [0,1,0,0,0,0|1,1,0]=3 1549 B8R0.8 CO\C=C\[C@@H](N)C(=O)O Amb27427471 [0,1,0,0,0,0|0,1,1]=3 1550 B8R0.8 CPOC[C@H](N)C(=O)O Amb27424475 [0,1,0,0,0,0|0,1,0]=2 1551 B8R0.8 CSCCC(=N)C(=O)O Amb27196552 [0,1,0,0,0,0|0,0,2]=3 1552 B8R0.8 CSCCC(=O)C(=O)O Amb18643588 [0,1,0,0,0,0|1,0,1]=3 1553 B8R0.8 CSCCC(=O)C(N)=O Amb28042492 [0,1,0,0,0,0|2,0,1]=4 1554 B8R0.8 CSCCC(C)C(=O)O Amb24739356 [0,1,0,0,0,0|1,0,0]=2 1555 B8R0.8 CSCCC(Cl)C(=O)O Amb27468599 [0,1,0,0,0,0|1,0,0]=2 1556 B8R0.8 CSCCC(Cl)C(N)=O Amb18185555 [0,1,0,0,0,0|2,0,0]=3 1557 B8R0.8 CSCCC(N)C(=O)O Amb9703095 [0,1,0,0,0,0|0,0,0]=1 1558 B8R0.8 CSCCC(N)C(C)=O Amb28388741 [0,1,0,0,0,0|1,0,0]=2 1559 B8R0.8 CSCCC(N)C(C)C Amb27763912 [0,1,0,0,0,0|2,0,1]=4 1560 B8R0.8 CSCCC(N)C(C)O Amb27655583 [0,1,0,0,0,0|1,0,1]=3 1561 B8R0.8 CSCCC(N)C(F)F Amb27635873 [0,1,0,0,0,0|2,0,1]=4 1562 B8R0.8 CSCCC(N)C(N)=O Amb17142872 [0,1,0,0,0,0|1,0,0]=2 1563 B8R0.8 CSCCC(N)C(N)=O Amb32752921 [0,1,0,0,0,0|1,0,0]=2 1564 B8R0.8 CSCCC(O)C(=O)O Amb18304609 [0,1,0,0,0,0|1,0,0]=2 1565 B8R0.8 CSCCC(O)C(=O)[O-] Amb8393072 [0,1,0,0,0,0|1,0,1]=3 1566 B8R0.8 CSCCC(O)C(N)=O Amb20669403 [0,1,0,0,0,0|2,0,0]=3 1567 B8R0.8 CSCC[C@@H](N)C(=O)O Amb2720567 [0,1,0,0,0,0|0,0,0]=1 1568 B8R0.8 CSCC[C@@H](N)C(=O)[O-] Amb32414686 [0,1,0,0,0,0|0,0,1]=2 1569 B8R0.8 CSCC[C@@H](N)C(N)=O Amb18035930 [0,1,0,0,0,0|1,0,0]=2 1570 B8R0.8 CSCC[C@@H](N)C(N)=O Amb22750575 [0,1,0,0,0,0|1,0,0]=2 1571 B8R0.8 CSCC[C@@H](O)C(=O)O Amb25124092 [0,1,0,0,0,0|1,0,0]=2 1572 B8R0.8 CSCC[C@H](Cl)C(=O)O Amb28286496 [0,1,0,0,0,0|1,0,0]=2 1573 B8R0.8 CSCC[C@H](N)C(=O)O Amb5720611 [0,1,0,0,0,0|0,0,0]=1 1574 B8R0.8 CSCC[C@H](N)C(C)=O Amb27763449 [0,1,0,0,0,0|1,0,0]=2 1575 B8R0.8 CSCC[C@H](N)C(N)=O Amb8390412 [0,1,0,0,0,0|1,0,0]=2 1576 B8R0.8 CSCC[C@H](N)C(N)=O Amb9813735 [0,1,0,0,0,0|1,0,0]=2 1577 B8R0.8 CSCC[C@H](O)C(=O)O Amb28285270 [0,1,0,0,0,0|1,0,0]=2 1578 B8R0.8 CSCOC(C)C(C)O Amb27650395 [0,1,0,0,0,0|2,0,1]=4 1579 B8R0.8 CSCOC(N)C(=O)O Amb27634144 [0,1,0,0,0,0|0,0,0]=1 1580 B8R0.8 CSCO[C@@H](C)[C@@H](C)O Amb27971809 [0,1,0,0,0,0|2,0,1]=4 1581 B8R0.8 CSCO[C@H](N)C(=O)O Amb28183053 [0,1,0,0,0,0|0,0,0]=1 1582 B8R0.8 CSOCC(N)C(=O)O Amb28285144 [0,1,0,0,0,0|0,0,0]=1 1583 B8R0.8 CSSCC(C)C(=O)O Amb27240302 [0,1,0,0,0,0|1,0,0]=2 1584 B8R0.8 CSSC[C@@H](N)C(=O)O Amb28381312 [0,1,0,0,0,0|0,0,0]=1 1585 B8R0.8 CSSC[C@H](N)C(=O)O Amb28118786 [0,1,0,0,0,0|0,0,0]=1 1586 B8R0.8 CS\C=C/[C@H](N)C(=O)O Amb26006745 [0,1,0,0,0,0|0,0,1]=2 1587 B8R0.8 CS\C=C\C(N)C(=O)O Amb27759361 [0,1,0,0,0,0|0,0,1]=2 1588 B8R0.8 C[C@@H](CCC#N)C(=O)O Amb27870712 [0,1,0,0,0,0|2,0,1]=4 1589 B8R0.8 C[C@@H](CCCN)C(=O)O Amb28314637 [0,1,0,0,0,0|2,0,0]=3 1590 B8R0.8 C[C@@H](CN=[N+]=[N-])C(=O)O Amb27955982 [0,1,0,0,0,0|3,0,0]=4 1591 B8R0.8 C[C@@H](NCCF)C(=O)O Amb28073998 [0,1,0,0,0,0|3,0,0]=4 1592 B8R0.8 C[C@@H](NCCO)C(=O)O Amb26885478 [0,1,0,0,0,0|3,0,0]=4 1593 B8R0.8 C[C@@H](OCCF)C(=O)O Amb27763930 [0,1,0,0,0,0|3,0,0]=4 1594 B8R0.8 C[C@@H](OCCO)C(=O)O Amb28318043 [0,1,0,0,0,0|3,0,0]=4 1595 B8R0.8 C[C@@H](SCCN)C(=O)O Amb27170977 [0,1,0,0,0,0|3,0,0]=4 1596 B8R0.8 C[C@H](NCC#N)C(=O)O Amb28079480 [0,1,0,0,0,0|3,0,0]=4 1597 B8R0.8 C[C@H](NCCO)C(=O)O Amb28058421 [0,1,0,0,0,0|3,0,0]=4 1598 B8R0.8 C[C@H](OCCN)C(=O)O Amb27479935 [0,1,0,0,0,0|3,0,0]=4 1599 B8R0.8 C[C@H](OCCO)C(=O)O Amb27398048 [0,1,0,0,0,0|3,0,0]=4 1600 B8R0.8 C[Se]CCC(N)C(=O)O Amb8514803 [0,1,0,0,0,0|0,1,0]=2 1601 B8R0.8 C[Se]CC[C@@H](N)C(=O)O Amb31031165 [0,1,0,0,0,0|0,1,0]=2 1602 B8R0.8 C[Se]CC[C@H](N)C(=O)O Amb8514895 [0,1,0,0,0,0|0,1,0]=2 1603 B8R0.8 C\C=C/CC(=O)C(=O)O Amb27450808 [0,1,0,0,0,0|2,0,1]=4 1604 B8R0.8 C\C=C\CC(=O)C(=O)O Amb18642583 [0,1,0,0,0,0|2,0,1]=4 1605 B8R0.8 C\C=C\CC(C)C(=O)O Amb18642630 [0,1,0,0,0,0|2,0,0]=3 1606 B8R0.8 C\C=C\CC(C)C(C)=O Amb27799374 [0,1,0,0,0,0|3,0,0]=4 1607 B8R0.8 C\C=C\CC(F)C(=O)O Amb27959670 [0,1,0,0,0,0|2,0,0]=3 1608 B8R0.8 C\C=C\CC(N)C(=O)O Amb6256663 [0,1,0,0,0,0|1,0,0]=2 1609 B8R0.8 C\C=C\CC(N)C(N)=O Amb26904386 [0,1,0,0,0,0|2,0,0]=3 1610 B8R0.8 C\C=C\CC(O)C(C)=O Amb25707027 [0,1,0,0,0,0|3,0,0]=4 1611 B8R0.8 C\C=C\C[C@@H](N)C(=O)O Amb33065673 [0,1,0,0,0,0|1,0,0]=2 1612 B8R0.8 C\C=C\C[C@H](C)C(=O)O Amb28368854 [0,1,0,0,0,0|2,0,0]=3 1613 B8R0.8 C\C=C\C[C@H](C)C(C)=O Amb26891739 [0,1,0,0,0,0|3,0,0]=4 1614 B8R0.8 C\C=C\C[C@H](N)C(=O)O Amb27768785 [0,1,0,0,0,0|1,0,0]=2 1615 B8R0.8 N#CCCC(Br)C(=O)O Amb27863558 [0,1,0,0,0,0|2,0,1]=4 1616 B8R0.8 N#CCCC(N)C(=O)O Amb18642589 [0,1,0,0,0,0|1,0,1]=3 1617 B8R0.8 N#CCCC(N)C(N)=O Amb26567424 [0,1,0,0,0,0|2,0,1]=4 1618 B8R0.8 N#CCCC(O)C(=O)O Amb28239951 [0,1,0,0,0,0|2,0,1]=4 1619 B8R0.8 N#CCCC([AlH5])C(=O)O Amb31132465 [0,1,0,0,0,0|2,0,1]=4 1620 B8R0.8 N#CCC[C@@H](N)C(=O)O Amb25063958 [0,1,0,0,0,0|1,0,1]=3 1621 B8R0.8 N#CCC[C@H](N)C(=O)O Amb16183912 [0,1,0,0,0,0|1,0,1]=3 1622 B8R0.8 N#CCC[C@H](O)C(=O)O Amb28144260 [0,1,0,0,0,0|2,0,1]=4 1623 B8R0.8 N#CNCC(O)C(=O)O Amb35634509 [0,1,0,0,0,0|2,0,1]=4 1624 B8R0.8 N#CNC[C@H](O)C(=O)O Amb35634507 [0,1,0,0,0,0|2,0,1]=4 1625 B8R0.8 N#CSCC(N)C(=O)O Amb17593655 [0,1,0,0,0,0|0,0,1]=2 1626 B8R0.8 NC(=O)C(N)CCCF Amb27424739 [0,1,0,0,0,0|2,0,0]=3 1627 B8R0.8 NC(=O)C(N)CCCO Amb33066182 [0,1,0,0,0,0|2,0,0]=3 1628 B8R0.8 NC(=O)C(N)C\C=C\Cl Amb27860856 [0,1,0,0,0,0|2,0,1]=4 1629 B8R0.8 NC(CCCBr)C(=O)O Amb24480263 [0,1,0,0,0,0|1,0,0]=2 1630 B8R0.8 NC(CCCCl)B(O)O Amb27491021 [0,1,0,0,0,0|2,0,1]=4 1631 B8R0.8 NC(CCCF)C(=O)O Amb25366994 [0,1,0,0,0,0|1,0,0]=2 1632 B8R0.8 NC(CCCO)C(=O)O Amb18642915 [0,1,0,0,0,0|1,0,0]=2 1633 B8R0.8 NC(CCCO)C(=O)O Amb22900028 [0,1,0,0,0,0|1,0,0]=2 1634 B8R0.8 NC(CCCS)C(=O)O Amb27947968 [0,1,0,0,0,0|1,0,0]=2 1635 B8R0.8 NC(CCNO)C(=O)O Amb28285114 [0,1,0,0,0,0|2,0,0]=3 1636 B8R0.8 NC(CN=C=S)C(=O)O Amb28281778 [0,1,0,0,0,0|1,0,1]=3 1637 B8R0.8 NC(C\C=C\Br)C(=O)O Amb27607572 [0,1,0,0,0,0|1,0,1]=3 1638 B8R0.8 NC(C\C=C\Cl)C(=O)O Amb33037023 [0,1,0,0,0,0|1,0,1]=3 1639 B8R0.8 NCCCC(Br)C(=O)O Amb17595166 [0,1,0,0,0,0|2,0,0]=3 1640 B8R0.8 NCCCC(F)C(=O)O Amb27235092 [0,1,0,0,0,0|2,0,0]=3 1641 B8R0.8 NCCCC(N)C(=O)O Amb22489477 [0,1,0,0,0,0|1,0,0]=2 1642 B8R0.8 NCCCC(N)C(=O)O Amb4006442 [0,1,0,0,0,0|1,0,0]=2 1643 B8R0.8 NCCCC(N)C(=O)O Amb9173756 [0,1,0,0,0,0|1,0,0]=2 1644 B8R0.8 NCCCC(N)C(=S)S Amb27657930 [0,1,0,0,0,0|1,2,0]=4 1645 B8R0.8 NCCCC(N)C(N)=O Amb24118008 [0,1,0,0,0,0|2,0,0]=3 1646 B8R0.8 NCCCC(N)[PH](=O)O Amb27645413 [0,1,0,0,0,0|2,0,0]=3 1647 B8R0.8 NCCC[C@@H](N)C(=O)O Amb32411789 [0,1,0,0,0,0|1,0,0]=2 1648 B8R0.8 NCCC[C@@H](N)C(=O)O Amb6600152 [0,1,0,0,0,0|1,0,0]=2 1649 B8R0.8 NCCC[C@@H](N)C(=O)O Amb8390415 [0,1,0,0,0,0|1,0,0]=2 1650 B8R0.8 NCCC[C@H](N)C(=O)O Amb20240598 [0,1,0,0,0,0|1,0,0]=2 1651 B8R0.8 NCCC[C@H](N)C(=O)O Amb22746434 [0,1,0,0,0,0|1,0,0]=2 1652 B8R0.8 NCCC[C@H](N)C(=O)O Amb8513279 [0,1,0,0,0,0|1,0,0]=2 1653 B8R0.8 NCCC[C@H](N)C(=O)O Amb8627869 [0,1,0,0,0,0|1,0,0]=2 1654 B8R0.8 NCCC[C@H](O)C(=O)O Amb27804309 [0,1,0,0,0,0|2,0,0]=3 1655 B8R0.8 NCOCC(N)C(=O)O Amb27429950 [0,1,0,0,0,0|0,1,0]=2 1656 B8R0.8 NCOC[C@@H](N)C(=O)O Amb27233969 [0,1,0,0,0,0|0,1,0]=2 1657 B8R0.8 NC\C=C\[C@H](N)C(=O)O Amb24580033 [0,1,0,0,0,0|1,0,1]=3 1658 B8R0.8 NOCCC(N)C(=O)O Amb17593409 [0,1,0,0,0,0|1,1,0]=3 1659 B8R0.8 NOCCC(N)C(=O)O Amb21858490 [0,1,0,0,0,0|1,1,0]=3 1660 B8R0.8 NOCC[C@H](N)C(=O)O Amb26346874 [0,1,0,0,0,0|1,1,0]=3 1661 B8R0.8 NOCC[C@H](N)C(=O)O Amb33038084 [0,1,0,0,0,0|1,1,0]=3 1662 B8R0.8 N[C@@H](CCCCl)C(=O)O Amb27227989 [0,1,0,0,0,0|1,0,0]=2 1663 B8R0.8 N[C@@H](CCCF)C(=O)O Amb27223043 [0,1,0,0,0,0|1,0,0]=2 1664 B8R0.8 N[C@@H](CCCO)C(=O)O Amb16183887 [0,1,0,0,0,0|1,0,0]=2 1665 B8R0.8 N[C@@H](CCNO)C(=O)O Amb24117852 [0,1,0,0,0,0|2,0,0]=3 1666 B8R0.8 N[C@@H](CSCO)C(=O)O Amb27470985 [0,1,0,0,0,0|0,0,0]=1 1667 B8R0.8 N[C@@H](CSN=O)C(=O)O Amb28182982 [0,1,0,0,0,0|1,0,0]=2 1668 B8R0.8 N[C@@H](C\C=C\Cl)C(=O)O Amb33065741 [0,1,0,0,0,0|1,0,1]=3 1669 B8R0.8 N[C@H](CCCBr)C(=O)O Amb26080278 [0,1,0,0,0,0|1,0,0]=2 1670 B8R0.8 N[C@H](CCCF)C(=O)O Amb26908418 [0,1,0,0,0,0|1,0,0]=2 1671 B8R0.8 N[C@H](CCCO)C(=O)O Amb28120579 [0,1,0,0,0,0|1,0,0]=2 1672 B8R0.8 N[C@H](CCCO)C(=O)O Amb34913429 [0,1,0,0,0,0|1,0,0]=2 1673 B8R0.8 N[C@H](CSN=O)C(=O)O Amb27845439 [0,1,0,0,0,0|1,0,0]=2 1674 B8R0.8 N[C@H](C\C=C\Cl)C(=O)O Amb33309034 [0,1,0,0,0,0|1,0,1]=3 1675 B8R0.8 O=C(O)C(=O)CCCF Amb33196459 [0,1,0,0,0,0|2,0,1]=4 1676 B8R0.8 O=C(O)C(=O)CCCO Amb27470301 [0,1,0,0,0,0|2,0,1]=4 1677 B8R0.8 O=C(O)C(=O)CCCO Amb30666618 [0,1,0,0,0,0|2,0,1]=4 1678 B8R0.8 O=C(O)C(=O)CSCCl Amb33069677 [0,1,0,0,0,0|1,0,1]=3 1679 B8R0.8 O=C(O)C(Br)CCCCl Amb17595866 [0,1,0,0,0,0|2,0,0]=3 1680 B8R0.8 O=C(O)C(Br)CCCO Amb28313364 [0,1,0,0,0,0|2,0,0]=3 1681 B8R0.8 O=C(O)C(O)CC#CBr Amb27634839 [0,1,0,0,0,0|2,0,1]=4 1682 B8R0.8 O=C(O)C(O)CCCF Amb33196454 [0,1,0,0,0,0|2,0,0]=3 1683 B8R0.8 O=C(O)C(O)CCCO Amb18642939 [0,1,0,0,0,0|2,0,0]=3 1684 B8R0.8 O=C(O)[C@H](F)CN=C=S Amb33471626 [0,1,0,0,0,0|2,0,1]=4 1685 B8R0.8 O=C([O-])C(O)CCCO Amb28935028 [0,1,0,0,0,0|2,0,1]=4 1686 B8R0.8 O=C=NC[C@@H](F)C(=O)O Amb33037069 [0,1,0,0,0,0|2,0,1]=4 1687 B8R0.8 O=CNC[C@@H](O)C(=O)O Amb27637039 [0,1,0,0,0,0|2,0,1]=4 1688 B8R0.8 O=COCC(Cl)C(=O)O Amb27477082 [0,1,0,0,0,0|1,1,1]=4 1689 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb28342834 [0,1,0,0,0,0|2,0,0]=3 1690 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb35752605 [0,1,0,0,0,0|2,0,0]=3 1691 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb26007532 [0,1,0,0,0,0|2,0,0]=3 1692 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb33734276 [0,1,0,0,0,0|2,0,0]=3 1693 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb25072668 [0,1,0,0,0,0|2,0,0]=3 1694 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb30586485 [0,1,0,0,0,0|2,0,0]=3 1695 B8R0.12 C#CCC(C)(C)C(=O)O Amb18636154 [0,1,0,0,0,0|2,0,1]=4 1696 B8R0.12 C#CC[C@](C)(N)C(=O)O Amb16183909 [0,1,0,0,0,0|1,0,1]=3 1697 B8R0.12 C=CCC(C)(C)C(=O)O Amb10603495 [0,1,0,0,0,0|2,0,1]=4 1698 B8R0.12 C=CCC(C)(N)[PH](=O)O Amb27595680 [0,1,0,0,0,0|2,0,1]=4 1699 B8R0.12 C=CCC(F)(F)C(=O)O Amb10982503 [0,1,0,0,0,0|2,0,1]=4 1700 B8R0.12 C=CC[C@@](C)(N)C(=O)O Amb8389450 [0,1,0,0,0,0|1,0,1]=3 1701 B8R0.12 C=CC[C@@](C)(N)C(N)=O Amb27851367 [0,1,0,0,0,0|2,0,1]=4 1702 B8R0.12 C=CC[C@@](C)(O)C(=O)O Amb27412350 [0,1,0,0,0,0|2,0,1]=4 1703 B8R0.12 C=CC[C@](C)(N)C(=O)O Amb8514992 [0,1,0,0,0,0|1,0,1]=3 1704 B8R0.12 C=CC[C@](C)(O)C(=O)O Amb27958223 [0,1,0,0,0,0|2,0,1]=4 1705 B8R0.12 CC(C)(CC#N)C(=O)O Amb33545085 [0,1,0,0,0,0|3,0,0]=4 1706 B8R0.12 CC(C)(CCCl)C(=O)O Amb27953901 [0,1,0,0,0,0|3,0,0]=4 1707 B8R0.12 CC(C)(CCF)C(=O)O Amb27838513 [0,1,0,0,0,0|3,0,0]=4 1708 B8R0.12 CC(C)(CCN)C(=O)O Amb2694929 [0,1,0,0,0,0|3,0,0]=4 1709 B8R0.12 CC(C)(CCN)C(=O)O Amb8630069 [0,1,0,0,0,0|3,0,0]=4 1710 B8R0.12 CC(C)(CCO)C(=O)O Amb24763728 [0,1,0,0,0,0|3,0,0]=4 1711 B8R0.12 CC(N)(CCCl)C(N)=O Amb25887461 [0,1,0,0,0,0|3,0,0]=4 1712 B8R0.12 CC(N)(CCF)C(=O)O Amb27961476 [0,1,0,0,0,0|2,0,0]=3 1713 B8R0.12 CC(N)(CCF)C(=O)O Amb28934998 [0,1,0,0,0,0|2,0,0]=3 1714 B8R0.12 CC(N)(CCO)C(N)=O Amb30013972 [0,1,0,0,0,0|3,0,0]=4 1715 B8R0.12 CC(O)(CC#N)C(=O)O Amb27260344 [0,1,0,0,0,0|3,0,0]=4 1716 B8R0.12 CC(O)(CCF)C(=O)O Amb33379277 [0,1,0,0,0,0|3,0,0]=4 1717 B8R0.12 CCCC(C)(Br)C(N)=O Amb28292478 [0,1,0,0,0,0|3,0,0]=4 1718 B8R0.12 CCCC(C)(C)C(=O)Cl Amb22168276 [0,1,0,0,0,0|3,0,0]=4 1719 B8R0.12 CCCC(C)(C)C(=O)O Amb2720786 [0,1,0,0,0,0|2,0,0]=3 1720 B8R0.12 CCCC(C)(C)C(C)=O Amb26026773 [0,1,0,0,0,0|3,0,0]=4 1721 B8R0.12 CCCC(C)(C)C(N)=O Amb25887199 [0,1,0,0,0,0|3,0,0]=4 1722 B8R0.12 CCCC(C)(Cl)C(=O)O Amb17593751 [0,1,0,0,0,0|2,0,0]=3 1723 B8R0.12 CCCC(C)(F)C(=O)O Amb27797327 [0,1,0,0,0,0|2,0,0]=3 1724 B8R0.12 CCCC(C)(N)C(=O)O Amb9720287 [0,1,0,0,0,0|1,0,0]=2 1725 B8R0.12 CCCC(C)(N)C(C)O Amb35583755 [0,1,0,0,0,0|2,0,1]=4 1726 B8R0.12 CCCC(C)(N)C(N)=S Amb19148046 [0,1,0,0,0,0|2,1,0]=4 1727 B8R0.12 CCCC(C)(O)C(=O)O Amb18288835 [0,1,0,0,0,0|2,0,0]=3 1728 B8R0.12 CCCC(C)(O)C(C)=O Amb26490520 [0,1,0,0,0,0|3,0,0]=4 1729 B8R0.12 CCCC(C)(O)C(N)=O Amb24116806 [0,1,0,0,0,0|3,0,0]=4 1730 B8R0.12 CCCC(Cl)(Cl)C(=O)O Amb2720219 [0,1,0,0,0,0|2,0,0]=3 1731 B8R0.12 CCCC(Cl)(Cl)C(C)=O Amb26875052 [0,1,0,0,0,0|3,0,0]=4 1732 B8R0.12 CCCC(F)(F)C(=O)Cl Amb27420905 [0,1,0,0,0,0|3,0,0]=4 1733 B8R0.12 CCCC(F)(F)C(=O)O Amb19929277 [0,1,0,0,0,0|2,0,0]=3 1734 B8R0.12 CCC[C@@](C)(N)C(=O)O Amb2699127 [0,1,0,0,0,0|1,0,0]=2 1735 B8R0.12 CCC[C@](C)(N)C(=O)O Amb16232632 [0,1,0,0,0,0|1,0,0]=2 1736 B8R0.12 CCNC(C)(C)C(=O)O Amb13952777 [0,1,0,0,0,0|3,0,0]=4 1737 B8R0.12 CCNC(C)(C)C(=O)O Amb9619876 [0,1,0,0,0,0|3,0,0]=4 1738 B8R0.12 CCOC(C)(C)C(=O)O Amb18976723 [0,1,0,0,0,0|3,0,0]=4 1739 B8R0.12 CCOC(Cl)(Cl)C(=O)O Amb27422864 [0,1,0,0,0,0|3,0,0]=4 1740 B8R0.12 CCSC(C)(C)C(=O)O Amb17501487 [0,1,0,0,0,0|3,0,0]=4 1741 B8R0.12 CCSC(F)(F)C(=O)O Amb28182780 [0,1,0,0,0,0|3,0,0]=4 1742 B8R0.12 CNCC(C)(C)C(=O)O Amb26557784 [0,1,0,0,0,0|2,0,0]=3 1743 B8R0.12 CNCC(C)(C)C(=O)O Amb33249638 [0,1,0,0,0,0|2,0,0]=3 1744 B8R0.12 CNCC(C)(O)C(=O)O Amb27478763 [0,1,0,0,0,0|2,0,0]=3 1745 B8R0.12 CNCC(F)(F)C(=O)O Amb22497225 [0,1,0,0,0,0|2,0,0]=3 1746 B8R0.12 CNCC(F)(F)C(=O)O Amb22523480 [0,1,0,0,0,0|2,0,0]=3 1747 B8R0.12 CNC[C@@](C)(N)C(=O)O Amb27975719 [0,1,0,0,0,0|1,0,0]=2 1748 B8R0.12 CNC[C@](C)(N)C(=O)O Amb25882845 [0,1,0,0,0,0|1,0,0]=2 1749 B8R0.12 COCC(C)(C)C(=O)O Amb10608195 [0,1,0,0,0,0|1,1,0]=3 1750 B8R0.12 COCC(C)(N)C(=O)O Amb18990135 [0,1,0,0,0,0|0,1,0]=2 1751 B8R0.12 COCC(C)(N)C(=O)O Amb20622455 [0,1,0,0,0,0|0,1,0]=2 1752 B8R0.12 COCC(C)(N)C(C)O Amb35742367 [0,1,0,0,0,0|1,1,1]=4 1753 B8R0.12 COCC(C)(N)C(N)=O Amb18298766 [0,1,0,0,0,0|1,1,0]=3 1754 B8R0.12 COCC(C)(N)C(N)=O Amb19515079 [0,1,0,0,0,0|1,1,0]=3 1755 B8R0.12 COCC(C)(O)C(=O)O Amb18992608 [0,1,0,0,0,0|1,1,0]=3 1756 B8R0.12 COCC(C)(O)C(C)=O Amb27598932 [0,1,0,0,0,0|2,1,0]=4 1757 B8R0.12 COCC(C)(O)C(N)=O Amb27460227 [0,1,0,0,0,0|2,1,0]=4 1758 B8R0.12 COCC(F)(F)C(=O)O Amb24518571 [0,1,0,0,0,0|1,1,0]=3 1759 B8R0.12 COC[C@](C)(N)C(=O)O Amb24568285 [0,1,0,0,0,0|0,1,0]=2 1760 B8R0.12 CSCC(C)(C)C(=N)N Amb35731296 [0,1,0,0,0,0|3,0,0]=4 1761 B8R0.12 CSCC(C)(C)C(=O)O Amb18124874 [0,1,0,0,0,0|1,0,0]=2 1762 B8R0.12 CSCC(C)(N)C(=O)O Amb18294541 [0,1,0,0,0,0|0,0,0]=1 1763 B8R0.12 CSCC(C)(N)C(F)F Amb33413049 [0,1,0,0,0,0|2,0,1]=4 1764 B8R0.12 CSCC(F)(F)C(=O)O Amb23590987 [0,1,0,0,0,0|1,0,0]=2 1765 B8R0.12 CSCC(F)(F)C(N)=O Amb23590988 [0,1,0,0,0,0|2,0,0]=3 1766 B8R0.12 C[C@@](N)(CCO)C(=O)O Amb28048736 [0,1,0,0,0,0|2,0,0]=3 1767 B8R0.12 C[C@](N)(CCN)C(=O)O Amb25348479 [0,1,0,0,0,0|2,0,0]=3 1768 B8R0.12 C\C=C\C(C)(N)C(=O)O Amb24671255 [0,1,0,0,0,0|1,0,1]=3 1769 B8R0.12 N#CCC(F)(F)C(=O)O Amb27186473 [0,1,0,0,0,0|3,0,0]=4 1770 B8R0.12 NCCC(F)(F)C(=O)O Amb2697352 [0,1,0,0,0,0|3,0,0]=4 1771 B8R0.12 NCCC(F)(F)C(=O)O Amb31378944 [0,1,0,0,0,0|3,0,0]=4 1772 B8R0.12 NOCC(F)(F)C(=O)O Amb33171236 [0,1,0,0,0,0|2,1,0]=4 1773 B8R0.12 O=C(O)C(F)(F)CCF Amb32811300 [0,1,0,0,0,0|3,0,0]=4 1774 B8R0.12 O=C(O)C(F)(F)CNO Amb33170566 [0,1,0,0,0,0|3,0,0]=4 1775 B8R0.14 CCCC(N)C(C)(C)O Amb33214879 [0,1,0,0,0,0|2,0,1]=4 1776 B8R0.14 CCCC(N)P(=O)(O)O Amb8516011 [0,1,0,0,0,0|2,0,0]=3 1777 B8R0.14 CCCC(N)S(=O)(=O)O Amb28075743 [0,1,0,0,0,0|2,0,0]=3 1778 B8R0.14 CCCC(O)P(=O)(O)O Amb26480670 [0,1,0,0,0,0|3,0,0]=4 1779 B8R0.14 CCCC(O)P(C)(=O)O Amb28315561 [0,1,0,0,0,0|3,0,0]=4 1780 B8R0.14 CCC[C@@H](O)P(=O)(O)O Amb27172583 [0,1,0,0,0,0|3,0,0]=4 1781 B8R0.14 CNCC(C)S(=O)(=O)O Amb27484161 [0,1,0,0,0,0|3,0,0]=4 1782 B8R0.14 COCC(N)C(C)(C)O Amb33214882 [0,1,0,0,0,0|1,1,1]=4 1783 B8R0.14 CSCC(N)C(C)(C)C Amb18300370 [0,1,0,0,0,0|2,0,1]=4 1784 B8R0.14 CSCC(N)C(F)(F)F Amb33337803 [0,1,0,0,0,0|2,0,1]=4 1785 B8R0.14 N[C@@H](CCO)P(=O)(O)O Amb27424703 [0,1,0,0,0,0|3,0,0]=4 1786 B8R0.15 C#CCC(C#N)C(=O)O Amb35741463 [0,1,0,0,0,0|1,0,2]=4 1787 B8R0.15 C#CC[C@H](CC)C(=O)O Amb28120786 [0,1,0,0,0,0|2,0,1]=4 1788 B8R0.15 C=C(C)C(CCC)NC Amb27667465 [0,1,0,0,0,0|3,0,0]=4 1789 B8R0.15 C=C(C)C(CCC)NN Amb27603084 [0,1,0,0,0,0|3,0,0]=4 1790 B8R0.15 C=C(C)C(CSC)NC Amb28241108 [0,1,0,0,0,0|2,0,0]=3 1791 B8R0.15 C=C(C)C(CSC)NN Amb27855873 [0,1,0,0,0,0|2,0,0]=3 1792 B8R0.15 C=C=C(CCC)C(=O)O Amb28045352 [0,1,0,0,0,0|2,0,1]=4 1793 B8R0.15 C=CC(SCC)C(=O)O Amb27757608 [0,1,0,0,0,0|3,0,0]=4 1794 B8R0.15 C=CC(\C=C\C)C(=O)O Amb27214636 [0,1,0,0,0,0|2,0,1]=4 1795 B8R0.15 C=CCC(C#N)C(=O)O Amb27657209 [0,1,0,0,0,0|1,0,2]=4 1796 B8R0.15 C=CCC(C=O)C(=O)O Amb28313315 [0,1,0,0,0,0|2,0,1]=4 1797 B8R0.15 C=CCC(CC)C(=O)O Amb18642632 [0,1,0,0,0,0|2,0,1]=4 1798 B8R0.15 C=CCC(NO)C(=O)O Amb27768789 [0,1,0,0,0,0|1,0,1]=3 1799 B8R0.15 C=CC[C@@H](C=C)C(=O)O Amb28285259 [0,1,0,0,0,0|2,0,1]=4 1800 B8R0.15 C=C[C@@H](CCC)C(=O)O Amb27658640 [0,1,0,0,0,0|2,0,0]=3 1801 B8R0.15 CCC(CCF)C(=O)O Amb26321627 [0,1,0,0,0,0|3,0,0]=4 1802 B8R0.15 CCC(CCN)C(=O)O Amb24699884 [0,1,0,0,0,0|3,0,0]=4 1803 B8R0.15 CCC(CCN)C(=O)O Amb32662662 [0,1,0,0,0,0|3,0,0]=4 1804 B8R0.15 CCC(CCO)C(=O)O Amb18642884 [0,1,0,0,0,0|3,0,0]=4 1805 B8R0.15 CCC(COC)C(=O)O Amb18124352 [0,1,0,0,0,0|1,1,0]=3 1806 B8R0.15 CCC(COC)C(C)=O Amb27593031 [0,1,0,0,0,0|2,1,0]=4 1807 B8R0.15 CCC(CSC)C(=O)O Amb33272061 [0,1,0,0,0,0|1,0,0]=2 1808 B8R0.15 CCC(SSC)C(=O)O Amb27236075 [0,1,0,0,0,0|2,0,0]=3 1809 B8R0.15 CCCC(C#N)C(C)=O Amb24053569 [0,1,0,0,0,0|2,0,1]=4 1810 B8R0.15 CCCC(C=O)C(=O)O Amb27464964 [0,1,0,0,0,0|2,0,0]=3 1811 B8R0.15 CCCC(CBr)C(=O)Cl Amb27639323 [0,1,0,0,0,0|3,0,0]=4 1812 B8R0.15 CCCC(CC)C(=O)O Amb19009626 [0,1,0,0,0,0|2,0,0]=3 1813 B8R0.15 CCCC(CF)C(=O)O Amb27186472 [0,1,0,0,0,0|2,0,0]=3 1814 B8R0.15 CCCC(CN)C(=O)O Amb19373497 [0,1,0,0,0,0|1,0,0]=2 1815 B8R0.15 CCCC(CN)C(C)O Amb27253919 [0,1,0,0,0,0|2,0,1]=4 1816 B8R0.15 CCCC(CO)C(=O)O Amb25881510 [0,1,0,0,0,0|2,0,0]=3 1817 B8R0.15 CCCC(NC)C(=O)O Amb21961534 [0,1,0,0,0,0|1,0,0]=2 1818 B8R0.15 CCCC(NC)C(=O)O Amb22587444 [0,1,0,0,0,0|1,0,0]=2 1819 B8R0.15 CCCC(NC)C(=O)O Amb9496293 [0,1,0,0,0,0|1,0,0]=2 1820 B8R0.15 CCCC(NC)C(N)=O Amb19006602 [0,1,0,0,0,0|2,0,0]=3 1821 B8R0.15 CCCC(NO)C(=O)O Amb22372057 [0,1,0,0,0,0|1,0,0]=2 1822 B8R0.15 CCCC(OC)C(=O)O Amb8455302 [0,1,0,0,0,0|2,0,0]=3 1823 B8R0.15 CCCC(OC)C(C)=O Amb27207958 [0,1,0,0,0,0|3,0,0]=4 1824 B8R0.15 CCCC(SC)C(=O)O Amb28289849 [0,1,0,0,0,0|2,0,0]=3 1825 B8R0.15 CCC[C@@H](CO)C(=O)O Amb24571859 [0,1,0,0,0,0|2,0,0]=3 1826 B8R0.15 CCC[C@@H](NC)C(=O)O Amb25771939 [0,1,0,0,0,0|1,0,0]=2 1827 B8R0.15 CCC[C@@H](NC)C(=O)O Amb33801471 [0,1,0,0,0,0|1,0,0]=2 1828 B8R0.15 CCC[C@H](CN)C(=O)O Amb27460612 [0,1,0,0,0,0|1,0,0]=2 1829 B8R0.15 CCC[C@H](CO)C(=O)O Amb25063310 [0,1,0,0,0,0|2,0,0]=3 1830 B8R0.15 CCC[C@H](NC)C(=O)O Amb25062610 [0,1,0,0,0,0|1,0,0]=2 1831 B8R0.15 CCC[C@H](NC)C(=O)O Amb33456398 [0,1,0,0,0,0|1,0,0]=2 1832 B8R0.15 CCC[C@H](NC)C(N)=O Amb27475077 [0,1,0,0,0,0|2,0,0]=3 1833 B8R0.15 CCNC(CC)C(=O)O Amb33339265 [0,1,0,0,0,0|3,0,0]=4 1834 B8R0.15 CCNC(CC)C(=O)O Amb9620054 [0,1,0,0,0,0|3,0,0]=4 1835 B8R0.15 CCN[C@@H](CC)C(=O)O Amb26019582 [0,1,0,0,0,0|3,0,0]=4 1836 B8R0.15 CCN[C@H](CC)C(=O)O Amb33347493 [0,1,0,0,0,0|3,0,0]=4 1837 B8R0.15 CCOC(CC)C(=O)O Amb9675410 [0,1,0,0,0,0|3,0,0]=4 1838 B8R0.15 CCOC(CS)C(=O)O Amb19037339 [0,1,0,0,0,0|3,0,0]=4 1839 B8R0.15 CCSC(CC)C(=O)O Amb9675503 [0,1,0,0,0,0|3,0,0]=4 1840 B8R0.15 CC[C@H](CCN)C(=O)O Amb27754665 [0,1,0,0,0,0|3,0,0]=4 1841 B8R0.15 CNC(CCO)C(=O)O Amb27390592 [0,1,0,0,0,0|2,0,0]=3 1842 B8R0.15 CNC(COC)C(=O)O Amb19304133 [0,1,0,0,0,0|0,1,0]=2 1843 B8R0.15 CNC(COC)C(=O)O Amb22059040 [0,1,0,0,0,0|0,1,0]=2 1844 B8R0.15 CNC(COC)C(N)=O Amb24120142 [0,1,0,0,0,0|1,1,0]=3 1845 B8R0.15 CNC(COC)C(N)=O Amb32666305 [0,1,0,0,0,0|1,1,0]=3 1846 B8R0.15 CNC(CSC)C(C)C Amb18313772 [0,1,0,0,0,0|2,0,1]=4 1847 B8R0.15 CNCC(C#N)C(=O)O Amb25756304 [0,1,0,0,0,0|1,0,1]=3 1848 B8R0.15 CNCC(CO)C(=O)O Amb26352745 [0,1,0,0,0,0|2,0,0]=3 1849 B8R0.15 CNCC(CO)C(=O)O Amb32661056 [0,1,0,0,0,0|2,0,0]=3 1850 B8R0.15 CN[C@@H](COC)C(N)=O Amb26458948 [0,1,0,0,0,0|1,1,0]=3 1851 B8R0.15 CN[C@@H](COC)C(N)=O Amb28935003 [0,1,0,0,0,0|1,1,0]=3 1852 B8R0.15 CN[C@H](COC)C(=O)O Amb33347473 [0,1,0,0,0,0|0,1,0]=2 1853 B8R0.15 CN[C@H](COC)C(N)=O Amb26507221 [0,1,0,0,0,0|1,1,0]=3 1854 B8R0.15 CN[C@H](COC)C(N)=O Amb32661128 [0,1,0,0,0,0|1,1,0]=3 1855 B8R0.15 COC(CC#N)C(=O)O Amb27157791 [0,1,0,0,0,0|3,0,0]=4 1856 B8R0.15 COC(CCF)C(=O)O Amb33379286 [0,1,0,0,0,0|3,0,0]=4 1857 B8R0.15 COC(CCN)C(=O)O Amb26631814 [0,1,0,0,0,0|3,0,0]=4 1858 B8R0.15 COC(CCN)C(=O)O Amb32661022 [0,1,0,0,0,0|3,0,0]=4 1859 B8R0.15 COCC(CN)C(=O)O Amb27219429 [0,1,0,0,0,0|0,1,0]=2 1860 B8R0.15 COCC(NO)C(=O)O Amb27247213 [0,1,0,0,0,0|0,1,0]=2 1861 B8R0.15 COCC(OC)C(=O)O Amb26627988 [0,1,0,0,0,0|1,1,0]=3 1862 B8R0.15 COCC(ON)C(=O)O Amb27251693 [0,1,0,0,0,0|0,1,0]=2 1863 B8R0.15 COCC(ON)C(=O)O Amb32670944 [0,1,0,0,0,0|0,1,0]=2 1864 B8R0.15 COCC(SC)C(=O)O Amb28046503 [0,1,0,0,0,0|1,1,0]=3 1865 B8R0.15 CSCC(CN)C(=O)O Amb33272062 [0,1,0,0,0,0|0,0,0]=1 1866 B8R0.15 CSCC(CN)C(C)C Amb27779687 [0,1,0,0,0,0|2,0,1]=4 1867 B8R0.15 CSCC(CN)C(F)F Amb33411125 [0,1,0,0,0,0|2,0,1]=4 1868 B8R0.15 CSCC(ON)C(C)C Amb27222778 [0,1,0,0,0,0|2,0,1]=4 1869 B8R0.15 C\C=C(/CNC)C(=O)O Amb27881689 [0,1,0,0,0,0|2,0,1]=4 1870 B8R0.15 C\C=C(\CNC)C(=O)O Amb27954442 [0,1,0,0,0,0|2,0,1]=4 1871 B8R0.15 C\C=C\[C@@H](CC)C(=O)O Amb28388676 [0,1,0,0,0,0|2,0,1]=4 1872 B8R0.15 C\C=N\[C@H](CO)C(=O)O Amb28423512 [0,1,0,0,0,0|3,0,0]=4 1873 B8R0.15 N#CC(CCF)C(=O)O Amb35741465 [0,1,0,0,0,0|2,0,1]=4 1874 B8R0.15 N#CC(CCO)C(=O)O Amb35741464 [0,1,0,0,0,0|2,0,1]=4 1875 B8R0.15 N#CCC(C#N)C(=O)O Amb35621636 [0,1,0,0,0,0|2,0,1]=4 1876 B8R0.15 NCC(CCF)C(=O)O Amb33196465 [0,1,0,0,0,0|2,0,0]=3 1877 B8R0.15 O=C(O)C(CO)CCF Amb27876842 [0,1,0,0,0,0|3,0,0]=4 1878 B8R0.15 O=C(O)C(CS)CCS Amb27477377 [0,1,0,0,0,0|3,0,0]=4 1879 B8R0.15 [N-]=[N+]=NC(CN)C(=O)O Amb27876138 [0,1,0,0,0,0|3,0,0]=4 1880 B8R0.15 [N-]=[N+]=N[C@@H](CN)C(=O)O Amb27173531 [0,1,0,0,0,0|3,0,0]=4 1881 B8R0.15 [N-]=[N+]=N[C@H](CN)C(=O)O Amb27791957 [0,1,0,0,0,0|3,0,0]=4 1882 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,1,0,0,0,0|3,0,0]=4 1883 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,1,0,0,0,0|1,0,1]=3 1884 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,1,0,0,0,0|1,0,1]=3 1885 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,1,0,0,0,0|1,0,1]=3 1886 B8R0.23 C=C(C)CC(=O)C(=O)O Amb28073130 [0,1,0,0,0,0|2,0,1]=4 1887 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,1,0,0,0,0|2,0,0]=3 1888 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,1,0,0,0,0|3,0,0]=4 1889 B8R0.23 C=C(C)CC(Cl)C(C)=O Amb27458140 [0,1,0,0,0,0|3,0,0]=4 1890 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,1,0,0,0,0|1,0,0]=2 1891 B8R0.23 C=C(C)CC(N)C(N)=O Amb26326676 [0,1,0,0,0,0|2,0,0]=3 1892 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,1,0,0,0,0|2,0,0]=3 1893 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,1,0,0,0,0|2,0,0]=3 1894 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,1,0,0,0,0|1,0,0]=2 1895 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,1,0,0,0,0|2,0,0]=3 1896 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,1,0,0,0,0|1,0,0]=2 1897 B8R0.23 C=C(CC(C)C)C(=O)O Amb33542856 [0,1,0,0,0,0|2,0,1]=4 1898 B8R0.23 C=C(CN(C)C)C(=O)O Amb33544507 [0,1,0,0,0,0|2,0,1]=4 1899 B8R0.23 C=C(CN(C)O)C(=O)O Amb27640409 [0,1,0,0,0,0|2,0,1]=4 1900 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,1,0,0,0,0|1,0,1]=3 1901 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,1,0,0,0,0|1,0,1]=3 1902 B8R0.23 C=C(Cl)CC(N)C(N)=O Amb33308519 [0,1,0,0,0,0|2,0,1]=4 1903 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,1,0,0,0,0|1,0,1]=3 1904 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,1,0,0,0,0|1,0,1]=3 1905 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,1,0,0,0,0|1,0,1]=3 1906 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,1,0,0,0,0|1,0,1]=3 1907 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,1,0,0,0,0|2,0,1]=4 1908 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,1,0,0,0,0|2,0,1]=4 1909 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,1,0,0,0,0|1,0,1]=3 1910 B8R0.23 CC(=O)C(C)CC(C)C Amb24640121 [0,1,0,0,0,0|3,0,0]=4 1911 B8R0.23 CC(=O)C(C)CN(C)C Amb4019104 [0,1,0,0,0,0|3,0,0]=4 1912 B8R0.23 CC(=O)C(Cl)CC(C)O Amb27454439 [0,1,0,0,0,0|3,0,0]=4 1913 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,1,0,0,0,0|3,0,0]=4 1914 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,1,0,0,0,0|3,0,0]=4 1915 B8R0.23 CC(=O)C(O)CC(C)C Amb26845888 [0,1,0,0,0,0|3,0,0]=4 1916 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,1,0,0,0,0|2,0,1]=4 1917 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,1,0,0,0,0|2,0,0]=3 1918 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,1,0,0,0,0|3,0,0]=4 1919 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,1,0,0,0,0|1,0,0]=2 1920 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,1,0,0,0,0|1,0,0]=2 1921 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,1,0,0,0,0|2,0,0]=3 1922 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,1,0,0,0,0|2,0,0]=3 1923 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,1,0,0,0,0|1,0,0]=2 1924 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,1,0,0,0,0|2,0,0]=3 1925 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,1,0,0,0,0|2,0,0]=3 1926 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,1,0,0,0,0|3,0,0]=4 1927 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,1,0,0,0,0|1,0,0]=2 1928 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,1,0,0,0,0|2,0,0]=3 1929 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,1,0,0,0,0|3,0,0]=4 1930 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,1,0,0,0,0|3,0,0]=4 1931 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,1,0,0,0,0|3,0,0]=4 1932 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,1,0,0,0,0|3,0,0]=4 1933 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,1,0,0,0,0|3,0,0]=4 1934 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,1,0,0,0,0|3,0,0]=4 1935 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,1,0,0,0,0|3,0,0]=4 1936 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,1,0,0,0,0|3,0,0]=4 1937 B8R0.23 CC(=O)[C@@H](C)CN(C)C Amb27162005 [0,1,0,0,0,0|3,0,0]=4 1938 B8R0.23 CC(=O)[C@@H](N)CC(C)C Amb28344512 [0,1,0,0,0,0|2,0,0]=3 1939 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,1,0,0,0,0|3,0,0]=4 1940 B8R0.23 CC(=O)[C@@H](O)CC(C)C Amb28202353 [0,1,0,0,0,0|3,0,0]=4 1941 B8R0.23 CC(=O)[C@H](N)CC(C)C Amb27490707 [0,1,0,0,0,0|2,0,0]=3 1942 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,1,0,0,0,0|1,0,2]=4 1943 B8R0.23 CC(=S)NC(C)C(=O)O Amb27876447 [0,1,0,0,0,0|3,0,0]=4 1944 B8R0.23 CC(Br)CC(=O)C(=O)O Amb28146183 [0,1,0,0,0,0|2,0,1]=4 1945 B8R0.23 CC(Br)CC(C)C(=O)O Amb27760411 [0,1,0,0,0,0|2,0,0]=3 1946 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [0,1,0,0,0,0|2,0,1]=4 1947 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [0,1,0,0,0,0|2,0,1]=4 1948 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [0,1,0,0,0,0|2,0,1]=4 1949 B8R0.23 CC(C)CC(=N)C(=O)O Amb27268516 [0,1,0,0,0,0|1,0,2]=4 1950 B8R0.23 CC(C)CC(=O)C(=O)O Amb8387123 [0,1,0,0,0,0|2,0,1]=4 1951 B8R0.23 CC(C)CC(Br)C(=O)Cl Amb26515942 [0,1,0,0,0,0|3,0,0]=4 1952 B8R0.23 CC(C)CC(Br)C(=O)O Amb16233356 [0,1,0,0,0,0|2,0,0]=3 1953 B8R0.23 CC(C)CC(C)C(=O)O Amb18975244 [0,1,0,0,0,0|2,0,0]=3 1954 B8R0.23 CC(C)CC(Cl)C(=O)Cl Amb27400431 [0,1,0,0,0,0|3,0,0]=4 1955 B8R0.23 CC(C)CC(Cl)C(=O)O Amb17593753 [0,1,0,0,0,0|2,0,0]=3 1956 B8R0.23 CC(C)CC(F)C(=O)O Amb24565634 [0,1,0,0,0,0|2,0,0]=3 1957 B8R0.23 CC(C)CC(N)C(=O)O Amb9703094 [0,1,0,0,0,0|1,0,0]=2 1958 B8R0.23 CC(C)CC(N)C(C)O Amb18642850 [0,1,0,0,0,0|2,0,1]=4 1959 B8R0.23 CC(C)CC(N)C(N)=O Amb6334827 [0,1,0,0,0,0|2,0,0]=3 1960 B8R0.23 CC(C)CC(N)C(N)=O Amb9729639 [0,1,0,0,0,0|2,0,0]=3 1961 B8R0.23 CC(C)CC(N)C(N)=S Amb28292675 [0,1,0,0,0,0|2,1,0]=4 1962 B8R0.23 CC(C)CC(N)C(O)O Amb27970496 [0,1,0,0,0,0|1,0,2]=4 1963 B8R0.23 CC(C)CC(N)P(O)O Amb27231724 [0,1,0,0,0,0|2,0,1]=4 1964 B8R0.23 CC(C)CC(N)[PH](=O)O Amb27831348 [0,1,0,0,0,0|2,0,0]=3 1965 B8R0.23 CC(C)CC(O)C(=O)O Amb2694726 [0,1,0,0,0,0|2,0,0]=3 1966 B8R0.23 CC(C)CC(O)C(=O)[O-] Amb33872314 [0,1,0,0,0,0|2,0,1]=4 1967 B8R0.23 CC(C)CC(O)[PH](=O)O Amb27255267 [0,1,0,0,0,0|3,0,0]=4 1968 B8R0.23 CC(C)CC(S)C(=O)O Amb18296292 [0,1,0,0,0,0|2,0,0]=3 1969 B8R0.23 CC(C)CN(N)C(N)=O Amb27624191 [0,1,0,0,0,0|3,0,0]=4 1970 B8R0.23 CC(C)C[C@@H](C)C(=O)O Amb10844070 [0,1,0,0,0,0|2,0,0]=3 1971 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O Amb22800398 [0,1,0,0,0,0|2,0,0]=3 1972 B8R0.23 CC(C)C[C@@H](F)C(=O)O Amb24616998 [0,1,0,0,0,0|2,0,0]=3 1973 B8R0.23 CC(C)C[C@@H](N)B(O)O Amb27978098 [0,1,0,0,0,0|2,0,1]=4 1974 B8R0.23 CC(C)C[C@@H](N)C(=O)O Amb2720579 [0,1,0,0,0,0|1,0,0]=2 1975 B8R0.23 CC(C)C[C@@H](N)C(C)O Amb28201191 [0,1,0,0,0,0|2,0,1]=4 1976 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb16183944 [0,1,0,0,0,0|2,0,0]=3 1977 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb22745197 [0,1,0,0,0,0|2,0,0]=3 1978 B8R0.23 CC(C)C[C@@H](N)C(N)=S Amb27450783 [0,1,0,0,0,0|2,1,0]=4 1979 B8R0.23 CC(C)C[C@@H](N)[C@@H](C)O Amb27593782 [0,1,0,0,0,0|2,0,1]=4 1980 B8R0.23 CC(C)C[C@@H](O)C(=O)O Amb8630052 [0,1,0,0,0,0|2,0,0]=3 1981 B8R0.23 CC(C)C[C@@H](S)C(=O)O Amb27786874 [0,1,0,0,0,0|2,0,0]=3 1982 B8R0.23 CC(C)C[C@H](Br)C(=O)O Amb22226489 [0,1,0,0,0,0|2,0,0]=3 1983 B8R0.23 CC(C)C[C@H](Br)C(N)=O Amb28197754 [0,1,0,0,0,0|3,0,0]=4 1984 B8R0.23 CC(C)C[C@H](C)C(=O)O Amb10844071 [0,1,0,0,0,0|2,0,0]=3 1985 B8R0.23 CC(C)C[C@H](Cl)C(=O)Cl Amb27657532 [0,1,0,0,0,0|3,0,0]=4 1986 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Amb22388637 [0,1,0,0,0,0|2,0,0]=3 1987 B8R0.23 CC(C)C[C@H](F)C(=O)O Amb10841083 [0,1,0,0,0,0|2,0,0]=3 1988 B8R0.23 CC(C)C[C@H](N)B(O)O Amb24578467 [0,1,0,0,0,0|2,0,1]=4 1989 B8R0.23 CC(C)C[C@H](N)C(=O)O Amb3499446 [0,1,0,0,0,0|1,0,0]=2 1990 B8R0.23 CC(C)C[C@H](N)C(=O)S Amb27810129 [0,1,0,0,0,0|1,1,0]=3 1991 B8R0.23 CC(C)C[C@H](N)C(N)=O Amb10670112 [0,1,0,0,0,0|2,0,0]=3 1992 B8R0.23 CC(C)C[C@H](N)C(N)=O Amb8515324 [0,1,0,0,0,0|2,0,0]=3 1993 B8R0.23 CC(C)C[C@H](N)C(N)=S Amb28285298 [0,1,0,0,0,0|2,1,0]=4 1994 B8R0.23 CC(C)C[C@H](O)C(=O)O Amb16232074 [0,1,0,0,0,0|2,0,0]=3 1995 B8R0.23 CC(C)NC(C)C(=O)O Amb10199874 [0,1,0,0,0,0|3,0,0]=4 1996 B8R0.23 CC(C)NC(C)C(=O)O Amb1110769 [0,1,0,0,0,0|3,0,0]=4 1997 B8R0.23 CC(C)N[C@H](C)C(=O)O Amb26409390 [0,1,0,0,0,0|3,0,0]=4 1998 B8R0.23 CC(C)OC(C)C(=O)O Amb10607866 [0,1,0,0,0,0|3,0,0]=4 1999 B8R0.23 CC(C)OC(F)C(=O)O Amb28045324 [0,1,0,0,0,0|3,0,0]=4 2000 B8R0.23 CC(C)SC(C)C(=O)O Amb6263656 [0,1,0,0,0,0|3,0,0]=4 2001 B8R0.23 CC(C)S[C@H](C)C(=O)O Amb27771567 [0,1,0,0,0,0|3,0,0]=4 2002 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,1,0,0,0,0|3,0,0]=4 2003 B8R0.23 CC(CC(F)F)C(=O)O Amb22896466 [0,1,0,0,0,0|3,0,0]=4 2004 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,1,0,0,0,0|3,0,0]=4 2005 B8R0.23 CC(CN(C)C)C(=O)O Amb8428203 [0,1,0,0,0,0|2,0,0]=3 2006 B8R0.23 CC(CN(C)C)C(=O)O Amb9173365 [0,1,0,0,0,0|2,0,0]=3 2007 B8R0.23 CC(CN(C)C)C(N)=O Amb17231865 [0,1,0,0,0,0|3,0,0]=4 2008 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [0,1,0,0,0,0|2,0,0]=3 2009 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,1,0,0,0,0|2,0,1]=4 2010 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,1,0,0,0,0|1,0,1]=3 2011 B8R0.23 CC(CS(C)=O)C(N)=O Amb27981416 [0,1,0,0,0,0|2,0,1]=4 2012 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,1,0,0,0,0|3,0,0]=4 2013 B8R0.23 CC(Cl)CC(N)C(=O)O Amb28325413 [0,1,0,0,0,0|1,0,0]=2 2014 B8R0.23 CC(N)CC(N)C(=O)O Amb28144636 [0,1,0,0,0,0|1,0,0]=2 2015 B8R0.23 CC(N)CC(O)C(=O)O Amb27975686 [0,1,0,0,0,0|2,0,0]=3 2016 B8R0.23 CC(O)C(N)CN(C)C Amb18203169 [0,1,0,0,0,0|2,0,1]=4 2017 B8R0.23 CC(O)CC(=O)C(=O)O Amb25789747 [0,1,0,0,0,0|2,0,1]=4 2018 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,1,0,0,0,0|1,0,0]=2 2019 B8R0.23 CC(O)CC(N)C(N)=O Amb33065888 [0,1,0,0,0,0|2,0,0]=3 2020 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,1,0,0,0,0|1,0,0]=2 2021 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,1,0,0,0,0|1,0,0]=2 2022 B8R0.23 CN(C)CC(N)C(=O)O Amb23558085 [0,1,0,0,0,0|1,0,0]=2 2023 B8R0.23 CN(C)CC(N)C(=O)O Amb32644516 [0,1,0,0,0,0|1,0,0]=2 2024 B8R0.23 CN(C)CC(N)C(=O)O Amb33756799 [0,1,0,0,0,0|1,0,0]=2 2025 B8R0.23 CN(C)CC(N)C(N)=O Amb18984335 [0,1,0,0,0,0|2,0,0]=3 2026 B8R0.23 CN(C)CC(O)C(=O)O Amb27856754 [0,1,0,0,0,0|2,0,0]=3 2027 B8R0.23 CN(C)C[C@@H](N)C(=O)O Amb19889770 [0,1,0,0,0,0|1,0,0]=2 2028 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb24078627 [0,1,0,0,0,0|1,0,0]=2 2029 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb8515079 [0,1,0,0,0,0|1,0,0]=2 2030 B8R0.23 CN(C)C[C@H](O)C(=O)O Amb24372674 [0,1,0,0,0,0|2,0,0]=3 2031 B8R0.23 CS(=N)C[C@H](N)C(=O)O Amb27838573 [0,1,0,0,0,0|0,0,1]=2 2032 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,1,0,0,0,0|0,0,1]=2 2033 B8R0.23 CS(=O)CC(N)C(N)=O Amb27608115 [0,1,0,0,0,0|1,0,1]=3 2034 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,1,0,0,0,0|0,0,1]=2 2035 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,1,0,0,0,0|0,0,1]=2 2036 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,1,0,0,0,0|3,0,0]=4 2037 B8R0.23 C[C@@H](CC(F)F)C(=O)O Amb33749533 [0,1,0,0,0,0|3,0,0]=4 2038 B8R0.23 C[C@@H](Cl)C[C@H](N)C(=O)O Amb27863035 [0,1,0,0,0,0|1,0,0]=2 2039 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,1,0,0,0,0|1,0,0]=2 2040 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,1,0,0,0,0|3,0,0]=4 2041 B8R0.23 C[C@H](CC(F)F)C(=O)O Amb33727762 [0,1,0,0,0,0|3,0,0]=4 2042 B8R0.23 C[C@H](N)C[C@@H](O)C(=O)O Amb27231129 [0,1,0,0,0,0|2,0,0]=3 2043 B8R0.23 C[C@H](N)C[C@H](N)C(=O)O Amb27815088 [0,1,0,0,0,0|1,0,0]=2 2044 B8R0.23 C[C@H](N)C[C@H](O)C(=O)O Amb27180466 [0,1,0,0,0,0|2,0,0]=3 2045 B8R0.23 C[C@H](NS(C)=O)C(=O)O Amb27212723 [0,1,0,0,0,0|2,0,1]=4 2046 B8R0.23 C[C@H](O)[C@@H](N)CN(C)C Amb25114644 [0,1,0,0,0,0|2,0,1]=4 2047 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,1,0,0,0,0|0,0,1]=2 2048 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,1,0,0,0,0|0,0,1]=2 2049 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,1,0,0,0,0|0,0,1]=2 2050 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,1,0,0,0,0|2,0,1]=4 2051 B8R0.23 C\C(Cl)=C/C(Cl)C(=O)O Amb28128482 [0,1,0,0,0,0|2,0,1]=4 2052 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,1,0,0,0,0|3,0,0]=4 2053 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,1,0,0,0,0|3,0,0]=4 2054 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,1,0,0,0,0|3,0,0]=4 2055 B8R0.23 NC(=O)C(N)CC(F)F Amb27409676 [0,1,0,0,0,0|3,0,0]=4 2056 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,1,0,0,0,0|3,0,0]=4 2057 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,1,0,0,0,0|3,0,0]=4 2058 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,1,0,0,0,0|2,0,0]=3 2059 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,1,0,0,0,0|2,0,0]=3 2060 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,1,0,0,0,0|3,0,0]=4 2061 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,1,0,0,0,0|3,0,0]=4 2062 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,1,0,0,0,0|3,0,0]=4 2063 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,1,0,0,0,0|3,0,0]=4 2064 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,1,0,0,0,0|2,0,0]=3 2065 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,1,0,0,0,0|2,0,0]=3 2066 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,1,0,0,0,0|3,0,0]=4 2067 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,1,0,0,0,0|3,0,0]=4 2068 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,1,0,0,0,0|3,0,0]=4 2069 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,1,0,0,0,0|2,0,0]=3 2070 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,1,0,0,0,0|2,0,0]=3 2071 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,1,0,0,0,0|3,0,0]=4 2072 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,1,0,0,0,0|3,0,0]=4 2073 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,1,0,0,0,0|3,0,0]=4 2074 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,1,0,0,0,0|3,0,0]=4 2075 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,1,0,0,0,0|3,0,0]=4 2076 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,1,0,0,0,0|3,0,0]=4 2077 B8R0.23 NC(=O)[C@H](N)CC(F)F Amb27163215 [0,1,0,0,0,0|3,0,0]=4 2078 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,1,0,0,0,0|2,0,0]=3 2079 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,1,0,0,0,0|2,0,1]=4 2080 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,1,0,0,0,0|1,0,2]=4 2081 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [0,1,0,0,0,0|2,0,0]=3 2082 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [0,1,0,0,0,0|2,0,0]=3 2083 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,1,0,0,0,0|2,0,0]=3 2084 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,1,0,0,0,0|2,0,1]=4 2085 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,1,0,0,0,0|2,0,1]=4 2086 B8R0.23 NC(CC(Cl)Cl)C(=O)O Amb27791749 [0,1,0,0,0,0|2,0,0]=3 2087 B8R0.23 NC(CC(F)F)C(=O)O Amb13952714 [0,1,0,0,0,0|2,0,0]=3 2088 B8R0.23 NC(CC(F)F)C(=O)O Amb33546007 [0,1,0,0,0,0|2,0,0]=3 2089 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,1,0,0,0,0|1,0,1]=3 2090 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,1,0,0,0,0|2,0,0]=3 2091 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,1,0,0,0,0|2,0,0]=3 2092 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,1,0,0,0,0|2,0,1]=4 2093 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,1,0,0,0,0|2,0,0]=3 2094 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,1,0,0,0,0|2,0,0]=3 2095 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,1,0,0,0,0|2,0,1]=4 2096 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb26944439 [0,1,0,0,0,0|2,0,0]=3 2097 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb33482837 [0,1,0,0,0,0|2,0,0]=3 2098 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,1,0,0,0,0|1,0,1]=3 2099 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,1,0,0,0,0|1,0,1]=3 2100 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,1,0,0,0,0|1,0,1]=3 2101 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,1,0,0,0,0|2,0,0]=3 2102 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb25117310 [0,1,0,0,0,0|2,0,0]=3 2103 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb33743521 [0,1,0,0,0,0|2,0,0]=3 2104 B8R0.23 O=C(O)C(O)CC(F)F Amb25274709 [0,1,0,0,0,0|3,0,0]=4 2105 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [0,1,0,0,0,0|3,0,0]=4 2106 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,1,0,0,0,0|3,0,0]=4 2107 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,1,0,0,0,0|3,0,0]=4 2108 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,1,0,0,0,0|3,0,0]=4 2109 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,1,0,0,0,0|3,0,0]=4 2110 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,1,0,0,0,0|3,0,0]=4 2111 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,1,0,0,0,0|3,0,0]=4 2112 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,1,0,0,0,0|3,0,0]=4 2113 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,1,0,0,0,0|3,0,0]=4 2114 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,1,0,0,0,0|3,0,0]=4 2115 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,1,0,0,0,0|3,0,0]=4 2116 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,1,0,0,0,0|3,0,0]=4 2117 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,1,0,0,0,0|3,0,0]=4 2118 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,1,0,0,0,0|3,0,0]=4 2119 B8R0.23 O=C(O)[C@H](Cl)CC(Cl)Cl Amb27831354 [0,1,0,0,0,0|3,0,0]=4 2120 B8R1.5 C=C1CCCC[C@@H]1N Amb27252272 [0,0,0,1,0,0|3,0,0]=4 2121 B8R1.5 CC1CCCCC1=O Amb6608749 [0,0,0,1,0,0|3,0,0]=4 2122 B8R1.5 CC1CCCNC1=O Amb2778949 [0,0,0,1,0,0|3,0,0]=4 2123 B8R1.5 CC1CCCOC1=O Amb26933974 [0,0,0,1,0,0|2,0,0]=3 2124 B8R1.5 CC1CNCCC1=O Amb19888361 [0,0,0,1,0,0|3,0,0]=4 2125 B8R1.5 CC1CNCCC1=O Amb8393082 [0,0,0,1,0,0|3,0,0]=4 2126 B8R1.5 CC1COCCC1=O Amb21856147 [0,0,0,1,0,0|2,1,0]=4 2127 B8R1.5 CC1CSCCC1=O Amb26404796 [0,0,0,1,0,0|2,0,0]=3 2128 B8R1.5 CC1CSCCC1O Amb26370414 [0,0,0,1,0,0|2,0,1]=4 2129 B8R1.5 C[C@H]1CCCNC1=O Amb27648584 [0,0,0,1,0,0|3,0,0]=4 2130 B8R1.5 C[C@H]1CSCC[C@@H]1O Amb28286731 [0,0,0,1,0,0|2,0,1]=4 2131 B8R1.5 NC1CCCC=C1Br Amb27974263 [0,0,0,1,0,0|3,0,0]=4 2132 B8R1.5 NC1CCCC=C1Br Amb33338965 [0,0,0,1,0,0|3,0,0]=4 2133 B8R1.5 NC1CCCC=C1Cl Amb18124341 [0,0,0,1,0,0|3,0,0]=4 2134 B8R1.5 NC1CCCCC1=O Amb17939051 [0,0,0,1,0,0|2,0,0]=3 2135 B8R1.5 NC1CCCCC1=O Amb22001819 [0,0,0,1,0,0|2,0,0]=3 2136 B8R1.5 NC1CCCCC1O Amb22228578 [0,0,0,1,0,0|2,0,1]=4 2137 B8R1.5 NC1CCCCC1O Amb31302362 [0,0,0,1,0,0|2,0,1]=4 2138 B8R1.5 NC1CCCCC1O Amb3428551 [0,0,0,1,0,0|2,0,1]=4 2139 B8R1.5 NC1CCCNC1=O Amb1088746 [0,0,0,1,0,0|2,0,0]=3 2140 B8R1.5 NC1CCCNC1=O Amb8428208 [0,0,0,1,0,0|2,0,0]=3 2141 B8R1.5 NC1CCCOB1O Amb24681060 [0,0,0,1,0,0|2,0,1]=4 2142 B8R1.5 NC1CCCOB1O Amb32668036 [0,0,0,1,0,0|2,0,1]=4 2143 B8R1.5 NC1CCONC1=O Amb22295935 [0,0,0,1,0,0|3,0,0]=4 2144 B8R1.5 NC1CNCCC1=O Amb27635311 [0,0,0,1,0,0|2,0,0]=3 2145 B8R1.5 NC1CNCCC1O Amb26874176 [0,0,0,1,0,0|2,0,1]=4 2146 B8R1.5 NC1COCCC1=O Amb18833021 [0,0,0,1,0,0|1,1,0]=3 2147 B8R1.5 NC1COCCC1=O Amb32670691 [0,0,0,1,0,0|1,1,0]=3 2148 B8R1.5 NC1COCCC1O Amb18198755 [0,0,0,1,0,0|1,1,1]=4 2149 B8R1.5 NC1COCCC1O Amb32753157 [0,0,0,1,0,0|1,1,1]=4 2150 B8R1.5 NC1CSCCC1=O Amb4296938 [0,0,0,1,0,0|1,0,0]=2 2151 B8R1.5 NN1CCCCC1=O Amb13952152 [0,0,0,1,0,0|3,0,0]=4 2152 B8R1.5 NN1CCCCC1=O Amb22275946 [0,0,0,1,0,0|3,0,0]=4 2153 B8R1.5 NN1CCCNC1=O Amb25343173 [0,0,0,1,0,0|3,0,0]=4 2154 B8R1.5 NN1CCCOC1=O Amb17608306 [0,0,0,1,0,0|2,0,0]=3 2155 B8R1.5 N[C@@H]1CCCC[C@@H]1O Amb1993806 [0,0,0,1,0,0|2,0,1]=4 2156 B8R1.5 N[C@@H]1CCCC[C@@H]1O Amb1993917 [0,0,0,1,0,0|2,0,1]=4 2157 B8R1.5 N[C@@H]1CCCC[C@H]1O Amb1993805 [0,0,0,1,0,0|2,0,1]=4 2158 B8R1.5 N[C@@H]1CCCC[C@H]1O Amb1993916 [0,0,0,1,0,0|2,0,1]=4 2159 B8R1.5 N[C@@H]1CCCNC1=O Amb19943908 [0,0,0,1,0,0|2,0,0]=3 2160 B8R1.5 N[C@@H]1CCCNC1=O Amb22388613 [0,0,0,1,0,0|2,0,0]=3 2161 B8R1.5 N[C@@H]1CNCC[C@H]1O Amb32674491 [0,0,0,1,0,0|2,0,1]=4 2162 B8R1.5 N[C@@H]1COCC[C@@H]1O Amb23385320 [0,0,0,1,0,0|1,1,1]=4 2163 B8R1.5 N[C@@H]1COCC[C@@H]1O Amb26888092 [0,0,0,1,0,0|1,1,1]=4 2164 B8R1.5 N[C@@H]1COCC[C@H]1O Amb22748653 [0,0,0,1,0,0|1,1,1]=4 2165 B8R1.5 N[C@@H]1COCC[C@H]1O Amb23385302 [0,0,0,1,0,0|1,1,1]=4 2166 B8R1.5 N[C@H]1CCCC[C@@H]1O Amb19515805 [0,0,0,1,0,0|2,0,1]=4 2167 B8R1.5 N[C@H]1CCCC[C@@H]1O Amb2612694 [0,0,0,1,0,0|2,0,1]=4 2168 B8R1.5 N[C@H]1CCCC[C@H]1O Amb19516016 [0,0,0,1,0,0|2,0,1]=4 2169 B8R1.5 N[C@H]1CCCC[C@H]1O Amb20622436 [0,0,0,1,0,0|2,0,1]=4 2170 B8R1.5 N[C@H]1CCCNC1=O Amb10603272 [0,0,0,1,0,0|2,0,0]=3 2171 B8R1.5 N[C@H]1CCCNC1=O Amb8631316 [0,0,0,1,0,0|2,0,0]=3 2172 B8R1.5 N[C@H]1COCC[C@@H]1O Amb25231772 [0,0,0,1,0,0|1,1,1]=4 2173 B8R1.5 N[C@H]1COCC[C@H]1O Amb24617518 [0,0,0,1,0,0|1,1,1]=4 2174 B8R1.5 N[C@H]1COCC[C@H]1O Amb33872533 [0,0,0,1,0,0|1,1,1]=4 2175 B8R1.5 O=C1CCCCC1Br Amb8394127 [0,0,0,1,0,0|3,0,0]=4 2176 B8R1.5 O=C1CCCCC1Cl Amb1154371 [0,0,0,1,0,0|3,0,0]=4 2177 B8R1.5 O=C1CCCCC1F Amb10605769 [0,0,0,1,0,0|3,0,0]=4 2178 B8R1.5 O=C1CCCCC1I Amb28239314 [0,0,0,1,0,0|3,0,0]=4 2179 B8R1.5 O=C1CCCCC1O Amb8390042 [0,0,0,1,0,0|3,0,0]=4 2180 B8R1.5 O=C1CCCCC1S Amb25839265 [0,0,0,1,0,0|3,0,0]=4 2181 B8R1.5 O=C1CCCC[C@@H]1F Amb24379012 [0,0,0,1,0,0|3,0,0]=4 2182 B8R1.5 O=C1CCCC[C@@H]1O Amb28316212 [0,0,0,1,0,0|3,0,0]=4 2183 B8R1.5 O=C1CCCC[C@H]1Cl Amb28119800 [0,0,0,1,0,0|3,0,0]=4 2184 B8R1.5 O=C1CCCOC1=O Amb24662237 [0,0,0,1,0,0|2,0,1]=4 2185 B8R1.5 O=C1CCNCC1Br Amb21520330 [0,0,0,1,0,0|3,0,0]=4 2186 B8R1.5 O=C1CCNCC1F Amb13885958 [0,0,0,1,0,0|3,0,0]=4 2187 B8R1.5 O=C1CCNCC1F Amb22002662 [0,0,0,1,0,0|3,0,0]=4 2188 B8R1.5 O=C1CCNCC1O Amb24075970 [0,0,0,1,0,0|3,0,0]=4 2189 B8R1.5 O=C1CCNCC1O Amb27230548 [0,0,0,1,0,0|3,0,0]=4 2190 B8R1.5 O=C1CCNC[C@H]1F Amb27467922 [0,0,0,1,0,0|3,0,0]=4 2191 B8R1.5 O=C1CCOCC1Br Amb21864837 [0,0,0,1,0,0|2,1,0]=4 2192 B8R1.5 O=C1CCOCC1Cl Amb21857938 [0,0,0,1,0,0|2,1,0]=4 2193 B8R1.5 O=C1CCOCC1F Amb19958536 [0,0,0,1,0,0|2,1,0]=4 2194 B8R1.5 O=C1CCOCC1O Amb26966688 [0,0,0,1,0,0|2,1,0]=4 2195 B8R1.5 O=C1CCOC[C@@H]1Br Amb26936362 [0,0,0,1,0,0|2,1,0]=4 2196 B8R1.5 O=C1CCOC[C@@H]1F Amb27813369 [0,0,0,1,0,0|2,1,0]=4 2197 B8R1.5 O=C1CCOC[C@H]1F Amb24732439 [0,0,0,1,0,0|2,1,0]=4 2198 B8R1.5 O=C1CCSCC1Br Amb22493812 [0,0,0,1,0,0|2,0,0]=3 2199 B8R1.5 O=C1CCSCC1O Amb27762936 [0,0,0,1,0,0|2,0,0]=3 2200 B8R1.5 O=C1CCSC[C@@H]1O Amb28316128 [0,0,0,1,0,0|2,0,0]=3 2201 B8R1.5 O=C1NCCCC1Br Amb33543864 [0,0,0,1,0,0|3,0,0]=4 2202 B8R1.5 O=C1NCCCC1F Amb13888988 [0,0,0,1,0,0|3,0,0]=4 2203 B8R1.5 O=C1NCCCC1O Amb10602315 [0,0,0,1,0,0|3,0,0]=4 2204 B8R1.5 O=C1NCCC[C@@H]1O Amb22226682 [0,0,0,1,0,0|3,0,0]=4 2205 B8R1.5 O=C1NCCC[C@H]1O Amb22225342 [0,0,0,1,0,0|3,0,0]=4 2206 B8R1.5 O=C1NCNCC1Br Amb28060398 [0,0,0,1,0,0|3,0,0]=4 2207 B8R1.5 O=C1OCC=CC1O Amb27795928 [0,0,0,1,0,0|2,0,1]=4 2208 B8R1.5 O=C1OCCCC1Br Amb22289164 [0,0,0,1,0,0|2,0,0]=3 2209 B8R1.5 O=C1OCCCC1Cl Amb28195106 [0,0,0,1,0,0|2,0,0]=3 2210 B8R1.5 O=C1OCCCC1O Amb19959000 [0,0,0,1,0,0|2,0,0]=3 2211 B8R1.5 O=C1OCCSC1Br Amb27776793 [0,0,0,1,0,0|3,0,0]=4 2212 B8R1.5 OC1CCSCC1O Amb27211025 [0,0,0,1,0,0|2,0,1]=4 2213 B8R1.7 C=C(C)C1CCCN1 Amb23536664 [0,0,0,1,0,0|3,0,0]=4 2214 B8R1.7 C=C(C)[C@@H]1CCCN1 Amb28186967 [0,0,0,1,0,0|3,0,0]=4 2215 B8R1.7 CC(=O)C1=NCSC1 Amb27985534 [0,0,0,1,0,0|1,0,2]=4 2216 B8R1.7 CC(=O)C1CC=CN1 Amb26979687 [0,0,0,1,0,0|2,0,1]=4 2217 B8R1.7 CC(=O)C1CCCC1 Amb2612425 [0,0,0,1,0,0|3,0,0]=4 2218 B8R1.7 CC(=O)C1CCCN1 Amb17231815 [0,0,0,1,0,0|2,0,0]=3 2219 B8R1.7 CC(=O)C1CCCN1 Amb33870768 [0,0,0,1,0,0|2,0,0]=3 2220 B8R1.7 CC(=O)C1CCCO1 Amb23590167 [0,0,0,1,0,0|3,0,0]=4 2221 B8R1.7 CC(=O)C1CCCS1 Amb27838322 [0,0,0,1,0,0|3,0,0]=4 2222 B8R1.7 CC(=O)C1CCNC1 Amb18833067 [0,0,0,1,0,0|3,0,0]=4 2223 B8R1.7 CC(=O)C1CCNC1 Amb22899078 [0,0,0,1,0,0|3,0,0]=4 2224 B8R1.7 CC(=O)C1CCOC1 Amb18833038 [0,0,0,1,0,0|2,1,0]=4 2225 B8R1.7 CC(=O)C1CCSC1 Amb27412975 [0,0,0,1,0,0|2,0,0]=3 2226 B8R1.7 CC(=O)C1NCCS1 Amb22757393 [0,0,0,1,0,0|3,0,0]=4 2227 B8R1.7 CC(=O)[C@@H]1CCCN1 Amb27170693 [0,0,0,1,0,0|2,0,0]=3 2228 B8R1.7 CC(=O)[C@@H]1CCCN1 Amb31291120 [0,0,0,1,0,0|2,0,0]=3 2229 B8R1.7 CC(=O)[C@@H]1CCCO1 Amb22746525 [0,0,0,1,0,0|3,0,0]=4 2230 B8R1.7 CC(=O)[C@@H]1CCNC1 Amb30039124 [0,0,0,1,0,0|3,0,0]=4 2231 B8R1.7 CC(=O)[C@H]1CCCN1 Amb27453624 [0,0,0,1,0,0|2,0,0]=3 2232 B8R1.7 CC(=O)[C@H]1CCCO1 Amb25173839 [0,0,0,1,0,0|3,0,0]=4 2233 B8R1.7 CC(=O)[C@H]1CCNC1 Amb33132071 [0,0,0,1,0,0|3,0,0]=4 2234 B8R1.7 CC(C)C1CSCN1 Amb27838365 [0,0,0,1,0,0|2,0,1]=4 2235 B8R1.7 CC(C)[C@H]1CSCN1 Amb27253618 [0,0,0,1,0,0|2,0,1]=4 2236 B8R1.7 CC(F)C1CSCN1 Amb27184789 [0,0,0,1,0,0|2,0,1]=4 2237 B8R1.7 CC(O)C1CCCN1 Amb17231822 [0,0,0,1,0,0|2,0,1]=4 2238 B8R1.7 CC(O)[C@@H]1CCCN1 Amb24685154 [0,0,0,1,0,0|2,0,1]=4 2239 B8R1.7 CC(O)[C@H]1CCCN1 Amb26394098 [0,0,0,1,0,0|2,0,1]=4 2240 B8R1.7 C[C@@H](O)C1CCSC1 Amb33141336 [0,0,0,1,0,0|2,0,1]=4 2241 B8R1.7 C[C@H](O)C1CCSC1 Amb33141325 [0,0,0,1,0,0|2,0,1]=4 2242 B8R1.7 N=C(N)C1CCCN1 Amb24549144 [0,0,0,1,0,0|3,0,0]=4 2243 B8R1.7 N=C(N)C1CCCN1 Amb32718817 [0,0,0,1,0,0|3,0,0]=4 2244 B8R1.7 N=C(N)C1CCSC1 Amb29849405 [0,0,0,1,0,0|3,0,0]=4 2245 B8R1.7 NC(=O)C1C=CCN1 Amb27246432 [0,0,0,1,0,0|2,0,1]=4 2246 B8R1.7 NC(=O)C1CCCC1 Amb8858372 [0,0,0,1,0,0|3,0,0]=4 2247 B8R1.7 NC(=O)C1CCCN1 Amb2720282 [0,0,0,1,0,0|2,0,0]=3 2248 B8R1.7 NC(=O)C1CCCN1 Amb9724672 [0,0,0,1,0,0|2,0,0]=3 2249 B8R1.7 NC(=O)C1CCCO1 Amb33545693 [0,0,0,1,0,0|3,0,0]=4 2250 B8R1.7 NC(=O)C1CCNC1 Amb19373271 [0,0,0,1,0,0|3,0,0]=4 2251 B8R1.7 NC(=O)C1CCNC1 Amb9728548 [0,0,0,1,0,0|3,0,0]=4 2252 B8R1.7 NC(=O)C1CCOC1 Amb9677690 [0,0,0,1,0,0|2,1,0]=4 2253 B8R1.7 NC(=O)C1CSCN1 Amb2967256 [0,0,0,1,0,0|1,0,0]=2 2254 B8R1.7 NC(=O)C1NCCS1 Amb27655014 [0,0,0,1,0,0|3,0,0]=4 2255 B8R1.7 NC(=O)[C@@H]1CCCN1 Amb20240600 [0,0,0,1,0,0|2,0,0]=3 2256 B8R1.7 NC(=O)[C@@H]1CCCN1 Amb2690398 [0,0,0,1,0,0|2,0,0]=3 2257 B8R1.7 NC(=O)[C@@H]1CCCO1 Amb4166303 [0,0,0,1,0,0|3,0,0]=4 2258 B8R1.7 NC(=O)[C@@H]1CCNC1 Amb20671394 [0,0,0,1,0,0|3,0,0]=4 2259 B8R1.7 NC(=O)[C@@H]1CCNC1 Amb22405894 [0,0,0,1,0,0|3,0,0]=4 2260 B8R1.7 NC(=O)[C@@H]1CCOC1 Amb27413583 [0,0,0,1,0,0|2,1,0]=4 2261 B8R1.7 NC(=O)[C@@H]1COCN1 Amb27194677 [0,0,0,1,0,0|1,1,0]=3 2262 B8R1.7 NC(=O)[C@H]1CCCN1 Amb17942785 [0,0,0,1,0,0|2,0,0]=3 2263 B8R1.7 NC(=O)[C@H]1CCCN1 Amb2690397 [0,0,0,1,0,0|2,0,0]=3 2264 B8R1.7 NC(=O)[C@H]1CCNC1 Amb20671395 [0,0,0,1,0,0|3,0,0]=4 2265 B8R1.7 NC(=O)[C@H]1CCNC1 Amb22405893 [0,0,0,1,0,0|3,0,0]=4 2266 B8R1.7 NC(=O)[C@H]1CCOC1 Amb33228699 [0,0,0,1,0,0|2,1,0]=4 2267 B8R1.7 NC(=O)[C@H]1CNCO1 Amb27838356 [0,0,0,1,0,0|3,0,0]=4 2268 B8R1.7 NC(=O)[C@H]1CNCS1 Amb27488571 [0,0,0,1,0,0|3,0,0]=4 2269 B8R1.7 NC(=S)C1CCCN1 Amb19148043 [0,0,0,1,0,0|2,1,0]=4 2270 B8R1.7 NC(=S)C1CCSC1 Amb30011189 [0,0,0,1,0,0|2,1,0]=4 2271 B8R1.7 NC(=S)[C@@H]1CCCN1 Amb24588473 [0,0,0,1,0,0|2,1,0]=4 2272 B8R1.7 NC(=S)[C@H]1CCCN1 Amb24469314 [0,0,0,1,0,0|2,1,0]=4 2273 B8R1.7 O=C(Br)C1CCCC1 Amb27793826 [0,0,0,1,0,0|3,0,0]=4 2274 B8R1.7 O=C(Cl)C1CCCC1 Amb3939172 [0,0,0,1,0,0|3,0,0]=4 2275 B8R1.7 O=C(Cl)C1CCCN1 Amb27258805 [0,0,0,1,0,0|2,0,0]=3 2276 B8R1.7 O=C(Cl)C1CCCO1 Amb5747111 [0,0,0,1,0,0|3,0,0]=4 2277 B8R1.7 O=C(Cl)C1CCCS1 Amb25189766 [0,0,0,1,0,0|3,0,0]=4 2278 B8R1.7 O=C(Cl)C1CCNC1 Amb28316213 [0,0,0,1,0,0|3,0,0]=4 2279 B8R1.7 O=C(Cl)C1CCOC1 Amb9677595 [0,0,0,1,0,0|2,1,0]=4 2280 B8R1.7 O=C(Cl)C1CCSC1 Amb27778382 [0,0,0,1,0,0|2,0,0]=3 2281 B8R1.7 O=C(Cl)C1CSCN1 Amb17142875 [0,0,0,1,0,0|1,0,0]=2 2282 B8R1.7 O=C(Cl)[C@@H]1CCCN1 Amb28313801 [0,0,0,1,0,0|2,0,0]=3 2283 B8R1.7 O=C(O)C1=CCCC1 Amb3940288 [0,0,0,1,0,0|2,0,1]=4 2284 B8R1.7 O=C(O)C1=CCCN1 Amb17593173 [0,0,0,1,0,0|1,0,2]=4 2285 B8R1.7 O=C(O)C1=CCNC1 Amb26017269 [0,0,0,1,0,0|2,0,1]=4 2286 B8R1.7 O=C(O)C1=CCOC1 Amb24434391 [0,0,0,1,0,0|1,1,1]=4 2287 B8R1.7 O=C(O)C1=CCSC1 Amb18642797 [0,0,0,1,0,0|1,0,1]=3 2288 B8R1.7 O=C(O)C1=CSCS1 Amb25330178 [0,0,0,1,0,0|1,0,2]=4 2289 B8R1.7 O=C(O)C1=NCCN1 Amb27787520 [0,0,0,1,0,0|2,0,1]=4 2290 B8R1.7 O=C(O)C1C=CCC1 Amb18641680 [0,0,0,1,0,0|2,0,1]=4 2291 B8R1.7 O=C(O)C1C=CCN1 Amb22899488 [0,0,0,1,0,0|1,0,1]=3 2292 B8R1.7 O=C(O)C1C=CCN1 Amb9804432 [0,0,0,1,0,0|1,0,1]=3 2293 B8R1.7 O=C(O)C1C=CCO1 Amb18641762 [0,0,0,1,0,0|2,0,1]=4 2294 B8R1.7 O=C(O)C1CC=CC1 Amb2694750 [0,0,0,1,0,0|2,0,1]=4 2295 B8R1.7 O=C(O)C1CC=NN1 Amb18641765 [0,0,0,1,0,0|2,0,0]=3 2296 B8R1.7 O=C(O)C1CC=NO1 Amb27216537 [0,0,0,1,0,0|3,0,0]=4 2297 B8R1.7 O=C(O)C1CCC=N1 Amb27849168 [0,0,0,1,0,0|1,0,2]=4 2298 B8R1.7 O=C(O)C1CCCC1 Amb3939849 [0,0,0,1,0,0|2,0,0]=3 2299 B8R1.7 O=C(O)C1CCCN1 Amb1157517 [0,0,0,1,0,0|1,0,0]=2 2300 B8R1.7 O=C(O)C1CCCN1 Amb22040086 [0,0,0,1,0,0|1,0,0]=2 2301 B8R1.7 O=C(O)C1CCCO1 Amb9702828 [0,0,0,1,0,0|2,0,0]=3 2302 B8R1.7 O=C(O)C1CCCS1 Amb18124363 [0,0,0,1,0,0|2,0,0]=3 2303 B8R1.7 O=C(O)C1CCNC1 Amb16230724 [0,0,0,1,0,0|2,0,0]=3 2304 B8R1.7 O=C(O)C1CCNC1 Amb16233446 [0,0,0,1,0,0|2,0,0]=3 2305 B8R1.7 O=C(O)C1CCNC1 Amb2694866 [0,0,0,1,0,0|2,0,0]=3 2306 B8R1.7 O=C(O)C1CCNO1 Amb28205451 [0,0,0,1,0,0|3,0,0]=4 2307 B8R1.7 O=C(O)C1CCNO1 Amb33329025 [0,0,0,1,0,0|3,0,0]=4 2308 B8R1.7 O=C(O)C1CCOC1 Amb33542759 [0,0,0,1,0,0|1,1,0]=3 2309 B8R1.7 O=C(O)C1CCSC1 Amb18124360 [0,0,0,1,0,0|1,0,0]=2 2310 B8R1.7 O=C(O)C1CCSS1 Amb8388097 [0,0,0,1,0,0|2,0,0]=3 2311 B8R1.7 O=C(O)C1CNCN1 Amb27597638 [0,0,0,1,0,0|1,0,0]=2 2312 B8R1.7 O=C(O)C1COC=N1 Amb28291372 [0,0,0,1,0,0|0,1,2]=4 2313 B8R1.7 O=C(O)C1COCN1 Amb2694915 [0,0,0,1,0,0|0,1,0]=2 2314 B8R1.7 O=C(O)C1COCN1 Amb2696354 [0,0,0,1,0,0|0,1,0]=2 2315 B8R1.7 O=C(O)C1COCO1 Amb27810510 [0,0,0,1,0,0|1,1,0]=3 2316 B8R1.7 O=C(O)C1CSCN1 Amb532947 [0,0,0,1,0,0|0,0,0]=1 2317 B8R1.7 O=C(O)C1CSSC1 Amb17593735 [0,0,0,1,0,0|2,0,0]=3 2318 B8R1.7 O=C(O)C1NCCS1 Amb2444644 [0,0,0,1,0,0|2,0,0]=3 2319 B8R1.7 O=C(O)C1OCCO1 Amb24349582 [0,0,0,1,0,0|3,0,0]=4 2320 B8R1.7 O=C(O)C1SCCS1 Amb20669087 [0,0,0,1,0,0|3,0,0]=4 2321 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb16183937 [0,0,0,1,0,0|1,0,1]=3 2322 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb22750611 [0,0,0,1,0,0|1,0,1]=3 2323 B8R1.7 O=C(O)[C@@H]1CCCN1 Amb3940757 [0,0,0,1,0,0|1,0,0]=2 2324 B8R1.7 O=C(O)[C@@H]1CCCN1 Amb6754105 [0,0,0,1,0,0|1,0,0]=2 2325 B8R1.7 O=C(O)[C@@H]1CCCO1 Amb3940908 [0,0,0,1,0,0|2,0,0]=3 2326 B8R1.7 O=C(O)[C@@H]1CCNC1 Amb6893875 [0,0,0,1,0,0|2,0,0]=3 2327 B8R1.7 O=C(O)[C@@H]1CCNC1 Amb8630322 [0,0,0,1,0,0|2,0,0]=3 2328 B8R1.7 O=C(O)[C@@H]1CCOC1 Amb10603235 [0,0,0,1,0,0|1,1,0]=3 2329 B8R1.7 O=C(O)[C@@H]1CCON1 Amb26919409 [0,0,0,1,0,0|2,0,0]=3 2330 B8R1.7 O=C(O)[C@@H]1COCN1 Amb19515958 [0,0,0,1,0,0|0,1,0]=2 2331 B8R1.7 O=C(O)[C@@H]1CSC=N1 Amb35648199 [0,0,0,1,0,0|0,0,2]=3 2332 B8R1.7 O=C(O)[C@@H]1CSCN1 Amb3940400 [0,0,0,1,0,0|0,0,0]=1 2333 B8R1.7 O=C(O)[C@H]1C=CCC1 Amb27872028 [0,0,0,1,0,0|2,0,1]=4 2334 B8R1.7 O=C(O)[C@H]1C=CCN1 Amb34158387 [0,0,0,1,0,0|1,0,1]=3 2335 B8R1.7 O=C(O)[C@H]1CCC=N1 Amb28128325 [0,0,0,1,0,0|1,0,2]=4 2336 B8R1.7 O=C(O)[C@H]1CCCN1 Amb2720569 [0,0,0,1,0,0|1,0,0]=2 2337 B8R1.7 O=C(O)[C@H]1CCCO1 Amb3941554 [0,0,0,1,0,0|2,0,0]=3 2338 B8R1.7 O=C(O)[C@H]1CCNC1 Amb2700058 [0,0,0,1,0,0|2,0,0]=3 2339 B8R1.7 O=C(O)[C@H]1CCNC1 Amb6893874 [0,0,0,1,0,0|2,0,0]=3 2340 B8R1.7 O=C(O)[C@H]1CCOC1 Amb22226787 [0,0,0,1,0,0|1,1,0]=3 2341 B8R1.7 O=C(O)[C@H]1CCSC1 Amb28241390 [0,0,0,1,0,0|1,0,0]=2 2342 B8R1.7 O=C(O)[C@H]1CNCS1 Amb27414077 [0,0,0,1,0,0|2,0,0]=3 2343 B8R1.7 O=C(O)[C@H]1CSC=N1 Amb35641724 [0,0,0,1,0,0|0,0,2]=3 2344 B8R1.7 O=C(O)[C@H]1CSCN1 Amb544887 [0,0,0,1,0,0|0,0,0]=1 2345 B8R1.7 O=C(O)[C@H]1NCCS1 Amb25920370 [0,0,0,1,0,0|2,0,0]=3 2346 B8R1.7 O=C(S)C1CCCO1 Amb27827519 [0,0,0,1,0,0|2,1,0]=4 2347 B8R1.7 O=C(S)[C@@H]1CCCN1 Amb27468669 [0,0,0,1,0,0|1,1,0]=3 2348 B8R1.7 O=C(S)[C@@H]1CCCO1 Amb24117867 [0,0,0,1,0,0|2,1,0]=4 2349 B8R1.7 O=C([O-])[C@@H]1CCCN1 Amb34160472 [0,0,0,1,0,0|1,0,1]=3 2350 B8R1.7 O=S(O)C1NCCN1 Amb27846291 [0,0,0,1,0,0|3,0,0]=4 2351 B8R1.7 O=[N+]([O-])C1CCSC1 Amb33299031 [0,0,0,1,0,0|2,0,1]=4 2352 B8R1.7 O=[PH](O)C1CCCN1 Amb27450678 [0,0,0,1,0,0|2,0,0]=3 2353 B8R1.7 OC(O)[C@H]1CCCN1 Amb27836006 [0,0,0,1,0,0|1,0,2]=4 2354 B8R1.13 CCCC1CNC1=O Amb27413136 [0,0,0,1,0,0|3,0,0]=4 2355 B8R1.13 COCC1CCC1=O Amb28069700 [0,0,0,1,0,0|2,1,0]=4 2356 B8R1.18 C=C1CC(C)OC1=O Amb8389608 [0,0,0,1,0,0|2,0,1]=4 2357 B8R1.18 CC1=CC(=O)C(Br)C1 Amb28284387 [0,0,0,1,0,0|3,0,0]=4 2358 B8R1.18 CC1=CC(=O)C(C)C1 Amb24647798 [0,0,0,1,0,0|3,0,0]=4 2359 B8R1.18 CC1=CC(=O)C(Cl)C1 Amb27750318 [0,0,0,1,0,0|3,0,0]=4 2360 B8R1.18 CC1=CC(Cl)C(=O)O1 Amb24349720 [0,0,0,1,0,0|2,0,1]=4 2361 B8R1.18 CC1CC(=O)C(C)C1 Amb26510571 [0,0,0,1,0,0|3,0,0]=4 2362 B8R1.18 CC1CC(=O)OC1=O Amb3940407 [0,0,0,1,0,0|3,0,0]=4 2363 B8R1.18 CC1CC(Br)C(=O)O1 Amb6608903 [0,0,0,1,0,0|2,0,0]=3 2364 B8R1.18 CC1CC(C)C(=O)N1 Amb24698782 [0,0,0,1,0,0|3,0,0]=4 2365 B8R1.18 CC1CC(C)C(=O)O1 Amb4017434 [0,0,0,1,0,0|2,0,0]=3 2366 B8R1.18 CC1CC(N)C(=O)O1 Amb32653104 [0,0,0,1,0,0|1,0,0]=2 2367 B8R1.18 CC1CC(N)C(=O)O1 Amb448594 [0,0,0,1,0,0|1,0,0]=2 2368 B8R1.18 CC1CC(N)C(C)O1 Amb24619349 [0,0,0,1,0,0|2,0,1]=4 2369 B8R1.18 CC1CC(N)C(C)O1 Amb30585143 [0,0,0,1,0,0|2,0,1]=4 2370 B8R1.18 CC1CC(O)C(=O)N1 Amb27784846 [0,0,0,1,0,0|3,0,0]=4 2371 B8R1.18 CC1CC(O)C(=O)O1 Amb27451083 [0,0,0,1,0,0|2,0,0]=3 2372 B8R1.18 CC1CN(C)CC1=O Amb20622328 [0,0,0,1,0,0|3,0,0]=4 2373 B8R1.18 CC1C[C@@H](C)CC1=O Amb27424916 [0,0,0,1,0,0|3,0,0]=4 2374 B8R1.18 CC1C[C@H](N)C(=O)O1 Amb27844768 [0,0,0,1,0,0|1,0,0]=2 2375 B8R1.18 CN1CC(N)C(=O)N1 Amb25872890 [0,0,0,1,0,0|2,0,0]=3 2376 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 Amb24574749 [0,0,0,1,0,0|2,0,1]=4 2377 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 Amb30526896 [0,0,0,1,0,0|2,0,1]=4 2378 B8R1.18 CN1C[C@H](N)[C@H](O)C1 Amb27799491 [0,0,0,1,0,0|2,0,1]=4 2379 B8R1.18 CN1C[C@H](N)[C@H](O)C1 Amb30526894 [0,0,0,1,0,0|2,0,1]=4 2380 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [0,0,0,1,0,0|3,0,0]=4 2381 B8R1.18 C[C@@H]1C[C@@H](Cl)C(=O)O1 Amb25288126 [0,0,0,1,0,0|2,0,0]=3 2382 B8R1.18 C[C@H]1CC(=O)OC1=O Amb2609932 [0,0,0,1,0,0|3,0,0]=4 2383 B8R1.18 C[C@H]1CC(=O)[C@H](C)C1 Amb28429622 [0,0,0,1,0,0|3,0,0]=4 2384 B8R1.18 C[C@H]1C[C@@H](C)C(=O)O1 Amb28060142 [0,0,0,1,0,0|2,0,0]=3 2385 B8R1.18 C[C@H]1C[C@@H](C)NC1=O Amb27619178 [0,0,0,1,0,0|3,0,0]=4 2386 B8R1.18 C[C@H]1C[C@H](O)C(=O)O1 Amb27852763 [0,0,0,1,0,0|2,0,0]=3 2387 B8R1.18 NC1CC(=O)NC1=O Amb30585083 [0,0,0,1,0,0|3,0,0]=4 2388 B8R1.18 NC1CC(=O)NC1=O Amb9502460 [0,0,0,1,0,0|3,0,0]=4 2389 B8R1.18 NC1CC(=O)OC1=O Amb27216215 [0,0,0,1,0,0|2,0,0]=3 2390 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb25992097 [0,0,0,1,0,0|2,0,0]=3 2391 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb8631355 [0,0,0,1,0,0|2,0,0]=3 2392 B8R1.18 N[C@H]1CC(=O)NC1=O Amb17134612 [0,0,0,1,0,0|3,0,0]=4 2393 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [0,0,0,1,0,0|2,0,0]=3 2394 B8R1.18 O=C1CC(Cl)C(=O)O1 Amb24677749 [0,0,0,1,0,0|3,0,0]=4 2395 B8R1.18 O=C1CC(O)C(=O)O1 Amb27399619 [0,0,0,1,0,0|3,0,0]=4 2396 B8R1.18 O=C1C[C@@H](F)C(=O)O1 Amb28286140 [0,0,0,1,0,0|3,0,0]=4 2397 B8R1.18 O=C1C[C@H](F)C(=O)O1 Amb27406936 [0,0,0,1,0,0|3,0,0]=4 2398 B8R1.18 O=C1OC(O)CC1O Amb27761542 [0,0,0,1,0,0|3,0,0]=4 2399 B8R1.19 CC1(O)CCCC1N Amb22295747 [0,0,0,1,0,0|2,0,1]=4 2400 B8R1.19 CC1(O)CCCC1N Amb32674775 [0,0,0,1,0,0|2,0,1]=4 2401 B8R1.19 C[C@]1(O)CCC[C@@H]1N Amb28059560 [0,0,0,1,0,0|2,0,1]=4 2402 B8R1.19 NC1CCCS1(=O)=O Amb27421871 [0,0,0,1,0,0|2,0,1]=4 2403 B8R1.23 C=C1CC(C(=O)O)C1 Amb613197 [0,0,0,1,0,0|2,0,1]=4 2404 B8R1.23 CC(=O)C1C=C(C)C1 Amb24676939 [0,0,0,1,0,0|3,0,0]=4 2405 B8R1.23 CC(=O)C1CC(C)C1 Amb23590280 [0,0,0,1,0,0|3,0,0]=4 2406 B8R1.23 CC(=O)[C@H]1C[C@@H](C)C1 Amb28253646 [0,0,0,1,0,0|3,0,0]=4 2407 B8R1.23 CC1CC(C(=O)O)C1 Amb19515989 [0,0,0,1,0,0|2,0,0]=3 2408 B8R1.23 CC1CC(C(=O)O)N1 Amb27816510 [0,0,0,1,0,0|1,0,0]=2 2409 B8R1.23 CC1CC(C(=O)O)N1 Amb33482923 [0,0,0,1,0,0|1,0,0]=2 2410 B8R1.23 CC1CC(C(N)=O)C1 Amb27954948 [0,0,0,1,0,0|3,0,0]=4 2411 B8R1.23 CN1CC(C(=O)Cl)C1 Amb35781982 [0,0,0,1,0,0|3,0,0]=4 2412 B8R1.23 CN1CC(C(=O)O)C1 Amb19958116 [0,0,0,1,0,0|2,0,0]=3 2413 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483898 [0,0,0,1,0,0|1,0,0]=2 2414 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483920 [0,0,0,1,0,0|1,0,0]=2 2415 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483819 [0,0,0,1,0,0|1,0,0]=2 2416 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483820 [0,0,0,1,0,0|1,0,0]=2 2417 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 Amb22746374 [0,0,0,1,0,0|2,0,0]=3 2418 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 Amb22746375 [0,0,0,1,0,0|2,0,0]=3 2419 B8R1.23 NC(=O)C1CC(=O)N1 Amb27214249 [0,0,0,1,0,0|3,0,0]=4 2420 B8R1.23 NC1CC(C(=O)O)C1 Amb10610660 [0,0,0,1,0,0|3,0,0]=4 2421 B8R1.23 NC1CC(C(=O)O)C1 Amb33533143 [0,0,0,1,0,0|3,0,0]=4 2422 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 Amb10604131 [0,0,0,1,0,0|3,0,0]=4 2423 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 Amb6893769 [0,0,0,1,0,0|3,0,0]=4 2424 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 Amb19514893 [0,0,0,1,0,0|3,0,0]=4 2425 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 Amb33524058 [0,0,0,1,0,0|3,0,0]=4 2426 B8R1.23 O=C(O)C1CC(Br)C1 Amb25889305 [0,0,0,1,0,0|3,0,0]=4 2427 B8R1.23 O=C(O)C1CC(Cl)C1 Amb16233600 [0,0,0,1,0,0|3,0,0]=4 2428 B8R1.23 O=C(O)C1CC(F)C1 Amb20621267 [0,0,0,1,0,0|3,0,0]=4 2429 B8R1.23 O=C(O)C1CC(O)C1 Amb8011535 [0,0,0,1,0,0|3,0,0]=4 2430 B8R1.23 O=C(O)C1CS(=O)C1 Amb26056015 [0,0,0,1,0,0|2,0,1]=4 2431 B8R1.23 O=C(O)[C@H]1C[C@@H](Br)C1 Amb35751665 [0,0,0,1,0,0|3,0,0]=4 2432 B8R1.23 O=C(O)[C@H]1C[C@@H](Cl)C1 Amb28119343 [0,0,0,1,0,0|3,0,0]=4 2433 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 Amb27974528 [0,0,0,1,0,0|3,0,0]=4 2434 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 Amb19516179 [0,0,0,1,0,0|3,0,0]=4 2435 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 Amb24339433 [0,0,0,1,0,0|3,0,0]=4 2436 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 Amb25883786 [0,0,0,1,0,0|3,0,0]=4 2437 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 Amb27883529 [0,0,0,1,0,0|3,0,0]=4 2438 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 Amb19516178 [0,0,0,1,0,0|3,0,0]=4 2439 B8R1.23 O=C1CC(C(=O)O)C1 Amb33544325 [0,0,0,1,0,0|3,0,0]=4 2440 B8R1.23 O=C1CC(C(=O)O)N1 Amb16232079 [0,0,0,1,0,0|2,0,0]=3 2441 B8R1.23 O=C1CC(C(=O)O)O1 Amb26887454 [0,0,0,1,0,0|3,0,0]=4 2442 B8R1.23 O=C1CC(S(=O)O)N1 Amb27595618 [0,0,0,1,0,0|3,0,0]=4 2443 B8R1.23 O=C1C[C@@H](C(=O)O)N1 Amb22367070 [0,0,0,1,0,0|2,0,0]=3 2444 B8R1.23 O=C1C[C@H](C(=O)O)N1 Amb26975061 [0,0,0,1,0,0|2,0,0]=3 2445 B8R1.30 C=C1CC1(N)C(=O)O Amb22274582 [0,0,0,1,0,0|1,0,1]=3 2446 B8R1.30 CC(=O)[C@@]1(C)C[C@H]1C Amb28131473 [0,0,0,1,0,0|3,0,0]=4 2447 B8R1.30 CC(=O)[C@]1(C)C[C@H]1C Amb28054445 [0,0,0,1,0,0|3,0,0]=4 2448 B8R1.30 CC1(C(=O)O)CC1Br Amb25889224 [0,0,0,1,0,0|3,0,0]=4 2449 B8R1.30 CC1(C(=O)O)CC1Cl Amb28325885 [0,0,0,1,0,0|3,0,0]=4 2450 B8R1.30 CC1(C(=O)O)CC1F Amb24445672 [0,0,0,1,0,0|3,0,0]=4 2451 B8R1.30 CC1CC1(C)C(=O)O Amb28456906 [0,0,0,1,0,0|2,0,0]=3 2452 B8R1.30 CC1CC1(F)C(=O)O Amb32679974 [0,0,0,1,0,0|2,0,0]=3 2453 B8R1.30 CC1CC1(N)C(=O)O Amb26066646 [0,0,0,1,0,0|1,0,0]=2 2454 B8R1.30 CC1CC1(N)C(N)=O Amb28434643 [0,0,0,1,0,0|2,0,0]=3 2455 B8R1.30 C[C@@H]1C[C@@]1(C)C(=O)O Amb24680945 [0,0,0,1,0,0|2,0,0]=3 2456 B8R1.30 C[C@@H]1C[C@@]1(N)C(N)=O Amb27969162 [0,0,0,1,0,0|2,0,0]=3 2457 B8R1.30 C[C@@H]1C[C@@]1(O)C(=O)O Amb28133921 [0,0,0,1,0,0|2,0,0]=3 2458 B8R1.30 C[C@@H]1O[C@]1(C)C(=O)O Amb28057500 [0,0,0,1,0,0|3,0,0]=4 2459 B8R1.30 C[C@@]1(C(=O)O)C[C@@H]1Cl Amb28134278 [0,0,0,1,0,0|3,0,0]=4 2460 B8R1.30 C[C@@]1(C(=O)O)C[C@@H]1F Amb24053139 [0,0,0,1,0,0|3,0,0]=4 2461 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1Br Amb27222642 [0,0,0,1,0,0|3,0,0]=4 2462 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1Cl Amb28196682 [0,0,0,1,0,0|3,0,0]=4 2463 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1F Amb26656665 [0,0,0,1,0,0|3,0,0]=4 2464 B8R1.30 C[C@H]1C[C@@]1(C)C(=O)O Amb27789627 [0,0,0,1,0,0|2,0,0]=3 2465 B8R1.30 C[C@H]1C[C@@]1(Cl)C(=O)O Amb28286348 [0,0,0,1,0,0|2,0,0]=3 2466 B8R1.30 C[C@H]1C[C@]1(N)C(=O)O Amb27873946 [0,0,0,1,0,0|1,0,0]=2 2467 B8R1.30 C[C@H]1C[C@]1(N)C(N)=O Amb27419998 [0,0,0,1,0,0|2,0,0]=3 2468 B8R1.30 C[C@H]1C[C@]1(O)C(=O)O Amb27881113 [0,0,0,1,0,0|2,0,0]=3 2469 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1F Amb26987734 [0,0,0,1,0,0|3,0,0]=4 2470 B8R1.30 C[C@]1(C(=O)O)C[C@H]1F Amb26870422 [0,0,0,1,0,0|3,0,0]=4 2471 B8R1.30 NC1(C(=O)O)CC1Br Amb27430541 [0,0,0,1,0,0|2,0,0]=3 2472 B8R1.30 NC1(C(=O)O)CC1Cl Amb27596928 [0,0,0,1,0,0|2,0,0]=3 2473 B8R1.30 N[C@@]1(C(=O)O)C[C@@H]1Br Amb28411230 [0,0,0,1,0,0|2,0,0]=3 2474 B8R1.30 N[C@@]1(C(=O)O)C[C@@H]1Cl Amb25245700 [0,0,0,1,0,0|2,0,0]=3 2475 B8R1.30 N[C@@]1(C(=O)O)C[C@H]1Cl Amb28436769 [0,0,0,1,0,0|2,0,0]=3 2476 B8R1.30 N[C@]1(C(=O)O)C[C@@H]1Cl Amb26587370 [0,0,0,1,0,0|2,0,0]=3 2477 B8R1.30 N[C@]1(C(=O)O)C[C@H]1Cl Amb22748908 [0,0,0,1,0,0|2,0,0]=3 2478 B8R1.43 C#CC1CC1C(=O)O Amb27398329 [0,0,0,1,0,0|2,0,1]=4 2479 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O Amb24076488 [0,0,0,1,0,0|2,0,1]=4 2480 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O Amb28073511 [0,0,0,1,0,0|2,0,1]=4 2481 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O Amb28347448 [0,0,0,1,0,0|2,0,1]=4 2482 B8R1.43 CCC1CC1C(=O)Cl Amb27778180 [0,0,0,1,0,0|3,0,0]=4 2483 B8R1.43 CCC1CC1C(=O)O Amb18961272 [0,0,0,1,0,0|2,0,0]=3 2484 B8R1.43 CCC1OC1C(C)=O Amb27206899 [0,0,0,1,0,0|3,0,0]=4 2485 B8R1.43 CCC1OC1C(N)=O Amb27461385 [0,0,0,1,0,0|3,0,0]=4 2486 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Amb24112910 [0,0,0,1,0,0|2,0,0]=3 2487 B8R1.43 CC[C@@H]1O[C@@H]1C(=O)O Amb27855470 [0,0,0,1,0,0|2,0,0]=3 2488 B8R1.43 CC[C@@H]1O[C@@H]1C(C)=O Amb27854614 [0,0,0,1,0,0|3,0,0]=4 2489 B8R1.43 CC[C@H]1C[C@H]1C(=O)O Amb33098417 [0,0,0,1,0,0|2,0,0]=3 2490 B8R1.43 CC[C@H]1O[C@@H]1C(=O)O Amb27811556 [0,0,0,1,0,0|2,0,0]=3 2491 B8R1.43 CC[C@H]1O[C@H]1C(=O)O Amb27222314 [0,0,0,1,0,0|2,0,0]=3 2492 B8R1.43 COC1CC1C(=O)Cl Amb35717346 [0,0,0,1,0,0|2,1,0]=4 2493 B8R1.43 COC1CC1C(N)=O Amb35671242 [0,0,0,1,0,0|2,1,0]=4 2494 B8R1.43 CO[C@@H]1C[C@H]1C(=O)O Amb24514838 [0,0,0,1,0,0|1,1,0]=3 2495 B8R1.43 CO[C@@H]1C[C@H]1C(C)=O Amb27407296 [0,0,0,1,0,0|2,1,0]=4 2496 B8R1.43 N#CC1CC1C(=O)O Amb24183452 [0,0,0,1,0,0|3,0,0]=4 2497 B8R1.43 N#C[C@@H]1C[C@@H]1C(=O)O Amb24183522 [0,0,0,1,0,0|3,0,0]=4 2498 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Amb24183456 [0,0,0,1,0,0|3,0,0]=4 2499 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O Amb33805321 [0,0,0,1,0,0|3,0,0]=4 2500 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Amb25168974 [0,0,0,1,0,0|3,0,0]=4 2501 B8R1.43 NCC1CC1C(=O)O Amb2694938 [0,0,0,1,0,0|3,0,0]=4 2502 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O Amb24680970 [0,0,0,1,0,0|3,0,0]=4 2503 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O Amb32992808 [0,0,0,1,0,0|3,0,0]=4 2504 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Amb27205078 [0,0,0,1,0,0|3,0,0]=4 2505 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O Amb27252099 [0,0,0,1,0,0|3,0,0]=4 2506 B8R1.43 NC[C@H]1C[C@H]1C(=O)O Amb28069146 [0,0,0,1,0,0|3,0,0]=4 2507 B8R1.43 NNC1CC1C(=O)O Amb10576221 [0,0,0,1,0,0|3,0,0]=4 2508 B8R1.43 O=C(O)C1CC1CBr Amb27407770 [0,0,0,1,0,0|3,0,0]=4 2509 B8R1.43 O=C(O)C1CC1CCl Amb26895220 [0,0,0,1,0,0|3,0,0]=4 2510 B8R1.43 O=C(O)C1CC1CO Amb25173469 [0,0,0,1,0,0|3,0,0]=4 2511 B8R1.43 O=C(O)[C@@H]1C[C@@H]1CO Amb28198703 [0,0,0,1,0,0|3,0,0]=4 2512 B8R1.43 O=C(O)[C@@H]1C[C@H]1CBr Amb26552185 [0,0,0,1,0,0|3,0,0]=4 2513 B8R1.43 O=C(O)[C@@H]1C[C@H]1CF Amb33098414 [0,0,0,1,0,0|3,0,0]=4 2514 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO Amb25231147 [0,0,0,1,0,0|3,0,0]=4 2515 B8R1.43 O=C(O)[C@H]1C[C@H]1CO Amb26916980 [0,0,0,1,0,0|3,0,0]=4 2516 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Amb25911990 [0,0,0,1,0,0|3,0,0]=4 2517 B8R1.46 CC[C@@H]1NC(=O)[C@H]1C Amb27188452 [0,0,0,1,0,0|3,0,0]=4 2518 B8R1.46 NC1C(=O)NC1CCl Amb27429760 [0,0,0,1,0,0|3,0,0]=4 2519 B8R1.46 NC1C(=O)NC1CO Amb27985586 [0,0,0,1,0,0|3,0,0]=4 2520 B8R1.46 N[C@@H]1C(=O)N[C@@H]1CO Amb28058411 [0,0,0,1,0,0|3,0,0]=4 2521 B8R1.46 O=C1O[C@H](CO)[C@H]1O Amb27659903 [0,0,0,1,0,0|3,0,0]=4 2522 B8R1.54 C=C(C(=O)O)C1CC1 Amb24481397 [0,0,0,1,0,0|2,0,1]=4 2523 B8R1.54 C=C(C)C(N)C1CC1 Amb27234544 [0,0,0,1,0,0|3,0,0]=4 2524 B8R1.54 CC(=O)C(C)C1CC1 Amb25798488 [0,0,0,1,0,0|3,0,0]=4 2525 B8R1.54 CC(=O)C(N)C1CC1 Amb27668423 [0,0,0,1,0,0|2,0,0]=3 2526 B8R1.54 CC(=O)N(N)C1CC1 Amb33191631 [0,0,0,1,0,0|3,0,0]=4 2527 B8R1.54 CC(C(=O)O)C1CC1 Amb33537630 [0,0,0,1,0,0|2,0,0]=3 2528 B8R1.54 C[C@@H](C(=O)O)C1CC1 Amb33732043 [0,0,0,1,0,0|2,0,0]=3 2529 B8R1.54 C[C@@H](O)[C@@H](N)C1CC1 Amb28132696 [0,0,0,1,0,0|2,0,1]=4 2530 B8R1.54 C[C@H](C(=O)O)C1CC1 Amb33744363 [0,0,0,1,0,0|2,0,0]=3 2531 B8R1.54 C[C@H](O)[C@@H](N)C1CC1 Amb28429788 [0,0,0,1,0,0|2,0,1]=4 2532 B8R1.54 N=C(N)C(N)C1CC1 Amb28142515 [0,0,0,1,0,0|3,0,0]=4 2533 B8R1.54 NC(=O)C(Cl)C1CC1 Amb26875098 [0,0,0,1,0,0|3,0,0]=4 2534 B8R1.54 NC(=O)C(N)C1CC1 Amb18282442 [0,0,0,1,0,0|2,0,0]=3 2535 B8R1.54 NC(=O)C(N)C1CC1 Amb28991331 [0,0,0,1,0,0|2,0,0]=3 2536 B8R1.54 NC(=O)C(O)C1CC1 Amb20630809 [0,0,0,1,0,0|3,0,0]=4 2537 B8R1.54 NC(=O)[C@H](N)C1CC1 Amb27436476 [0,0,0,1,0,0|2,0,0]=3 2538 B8R1.54 NC(=S)C(N)C1CC1 Amb27858041 [0,0,0,1,0,0|2,1,0]=4 2539 B8R1.54 NC(C(=O)O)C1CC1 Amb19515010 [0,0,0,1,0,0|1,0,0]=2 2540 B8R1.54 NC(C(=O)O)C1CC1 Amb2696737 [0,0,0,1,0,0|1,0,0]=2 2541 B8R1.54 N[C@@H](C(=O)O)C1CC1 Amb2699141 [0,0,0,1,0,0|1,0,0]=2 2542 B8R1.54 N[C@H](C(=O)O)C1CC1 Amb19929447 [0,0,0,1,0,0|1,0,0]=2 2543 B8R1.54 N[C@H](C(=O)O)C1CC1 Amb2694840 [0,0,0,1,0,0|1,0,0]=2 2544 B8R1.54 O=C(O)C(=O)C1CC1 Amb16233327 [0,0,0,1,0,0|2,0,1]=4 2545 B8R1.54 O=C(O)C(F)C1CC1 Amb25936979 [0,0,0,1,0,0|2,0,0]=3 2546 B8R1.54 O=C(O)C(O)C1CC1 Amb18282441 [0,0,0,1,0,0|2,0,0]=3 2547 B8R1.78 C=C(C)C1(N)CCC1 Amb33199176 [0,0,0,1,0,0|3,0,0]=4 2548 B8R1.78 C=C(O)C1(C)COC1 Amb27790823 [0,0,0,1,0,0|2,1,0]=4 2549 B8R1.78 CC(=O)C1(C)CCC1 Amb27249451 [0,0,0,1,0,0|3,0,0]=4 2550 B8R1.78 CC(=O)C1(C)CNC1 Amb24622325 [0,0,0,1,0,0|3,0,0]=4 2551 B8R1.78 CC(=O)C1(C)COC1 Amb22406104 [0,0,0,1,0,0|2,1,0]=4 2552 B8R1.78 CC(=O)C1(F)CNC1 Amb34150766 [0,0,0,1,0,0|3,0,0]=4 2553 B8R1.78 CC(=O)C1(N)CCC1 Amb26578364 [0,0,0,1,0,0|2,0,0]=3 2554 B8R1.78 CC(=O)C1(O)CCC1 Amb33328556 [0,0,0,1,0,0|3,0,0]=4 2555 B8R1.78 CC(O)C1(N)CCC1 Amb29874794 [0,0,0,1,0,0|2,0,1]=4 2556 B8R1.78 CC1(C(=O)Cl)CCC1 Amb24533834 [0,0,0,1,0,0|3,0,0]=4 2557 B8R1.78 CC1(C(=O)O)CCC1 Amb33544631 [0,0,0,1,0,0|2,0,0]=3 2558 B8R1.78 CC1(C(=O)O)CCN1 Amb24483061 [0,0,0,1,0,0|3,0,0]=4 2559 B8R1.78 CC1(C(=O)O)CCN1 Amb33483840 [0,0,0,1,0,0|3,0,0]=4 2560 B8R1.78 CC1(C(=O)O)CCN1 Amb34138205 [0,0,0,1,0,0|3,0,0]=4 2561 B8R1.78 CC1(C(=O)O)CCO1 Amb22001906 [0,0,0,1,0,0|3,0,0]=4 2562 B8R1.78 CC1(C(=O)O)CNC1 Amb24077476 [0,0,0,1,0,0|2,0,0]=3 2563 B8R1.78 CC1(C(=O)O)CNC1 Amb24561978 [0,0,0,1,0,0|2,0,0]=3 2564 B8R1.78 CC1(C(=O)O)COC1 Amb33543882 [0,0,0,1,0,0|1,1,0]=3 2565 B8R1.78 CC1(C(=O)O)CSC1 Amb21960451 [0,0,0,1,0,0|1,0,0]=2 2566 B8R1.78 CC1(C(N)=O)CCC1 Amb28396894 [0,0,0,1,0,0|3,0,0]=4 2567 B8R1.78 CC1(C(N)=O)CNC1 Amb26944170 [0,0,0,1,0,0|3,0,0]=4 2568 B8R1.78 CC1(C(N)=O)CNC1 Amb28921018 [0,0,0,1,0,0|3,0,0]=4 2569 B8R1.78 CC1(C(N)=O)COC1 Amb27837831 [0,0,0,1,0,0|2,1,0]=4 2570 B8R1.78 NC(=O)C1(Br)CCC1 Amb24481413 [0,0,0,1,0,0|3,0,0]=4 2571 B8R1.78 NC(=O)C1(F)CNC1 Amb34147675 [0,0,0,1,0,0|3,0,0]=4 2572 B8R1.78 NC(=O)C1(N)CCC1 Amb18523727 [0,0,0,1,0,0|2,0,0]=3 2573 B8R1.78 NC(=O)C1(N)CCC1 Amb33550276 [0,0,0,1,0,0|2,0,0]=3 2574 B8R1.78 NC(=O)C1(N)CNC1 Amb26851458 [0,0,0,1,0,0|2,0,0]=3 2575 B8R1.78 NC(=O)C1(N)CNC1 Amb33482864 [0,0,0,1,0,0|2,0,0]=3 2576 B8R1.78 NC(=O)C1(N)COC1 Amb24483241 [0,0,0,1,0,0|1,1,0]=3 2577 B8R1.78 NC(=O)C1(N)COC1 Amb32679270 [0,0,0,1,0,0|1,1,0]=3 2578 B8R1.78 NC(=O)C1(O)CCC1 Amb24122570 [0,0,0,1,0,0|3,0,0]=4 2579 B8R1.78 NC(=O)C1(O)CNC1 Amb25246646 [0,0,0,1,0,0|3,0,0]=4 2580 B8R1.78 NC(=O)C1(O)CNC1 Amb28934911 [0,0,0,1,0,0|3,0,0]=4 2581 B8R1.78 NC1(C(=O)Cl)CCC1 Amb32409362 [0,0,0,1,0,0|2,0,0]=3 2582 B8R1.78 NC1(C(=O)F)CCC1 Amb34148081 [0,0,0,1,0,0|2,0,0]=3 2583 B8R1.78 NC1(C(=O)O)CCC1 Amb2694933 [0,0,0,1,0,0|1,0,0]=2 2584 B8R1.78 NC1(C(=O)O)CCC1 Amb8630070 [0,0,0,1,0,0|1,0,0]=2 2585 B8R1.78 NC1(C(=O)O)CNC1 Amb19895006 [0,0,0,1,0,0|1,0,0]=2 2586 B8R1.78 NC1(C(=O)O)CNC1 Amb21960937 [0,0,0,1,0,0|1,0,0]=2 2587 B8R1.78 NC1(C(=O)O)COC1 Amb18199133 [0,0,0,1,0,0|0,1,0]=2 2588 B8R1.78 NC1(C(=O)O)COC1 Amb33109883 [0,0,0,1,0,0|0,1,0]=2 2589 B8R1.78 NC1(C(=O)O)CSC1 Amb21927718 [0,0,0,1,0,0|0,0,0]=1 2590 B8R1.78 O=C(Cl)C1(Br)CCC1 Amb26358748 [0,0,0,1,0,0|3,0,0]=4 2591 B8R1.78 O=C(Cl)C1(Cl)CCC1 Amb33127943 [0,0,0,1,0,0|3,0,0]=4 2592 B8R1.78 O=C(O)C1(Br)CCC1 Amb495556 [0,0,0,1,0,0|2,0,0]=3 2593 B8R1.78 O=C(O)C1(Cl)CCC1 Amb24422884 [0,0,0,1,0,0|2,0,0]=3 2594 B8R1.78 O=C(O)C1(F)CCC1 Amb22886536 [0,0,0,1,0,0|2,0,0]=3 2595 B8R1.78 O=C(O)C1(F)CNC1 Amb23440120 [0,0,0,1,0,0|2,0,0]=3 2596 B8R1.78 O=C(O)C1(O)CCC1 Amb495557 [0,0,0,1,0,0|2,0,0]=3 2597 B8R1.78 O=C(O)C1(O)CNC1 Amb24122891 [0,0,0,1,0,0|2,0,0]=3 2598 B8R1.78 O=C(O)C1(O)CNC1 Amb28934838 [0,0,0,1,0,0|2,0,0]=3 2599 B8R1.78 O=C(O)C1(O)COC1 Amb25714262 [0,0,0,1,0,0|1,1,0]=3 2600 B8R1.78 O=C(O)C1(S)CCC1 Amb34159631 [0,0,0,1,0,0|2,0,0]=3 2601 B8R0.5 C#CCC(N)CC(=O)O Amb26909337 [0,0,0,0,0,1|1,0,1]=3 2602 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb22746284 [0,0,0,0,0,1|1,0,1]=3 2603 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb24539924 [0,0,0,0,0,1|1,0,1]=3 2604 B8R0.5 C=C(C)CC(N)COC Amb27171032 [0,0,0,0,0,1|2,1,0]=4 2605 B8R0.5 C=C(C)CC(N)CSC Amb27794207 [0,0,0,0,0,1|2,0,0]=3 2606 B8R0.5 C=C(C)CC(O)CSC Amb28313018 [0,0,0,0,0,1|3,0,0]=4 2607 B8R0.5 C=CCC(C)CC(=O)O Amb18642628 [0,0,0,0,0,1|2,0,1]=4 2608 B8R0.5 C=CCC(N)CC(=O)O Amb22641964 [0,0,0,0,0,1|1,0,1]=3 2609 B8R0.5 C=CCC(N)CC(=O)O Amb31307622 [0,0,0,0,0,1|1,0,1]=3 2610 B8R0.5 C=CCC(O)CC(=O)O Amb18642785 [0,0,0,0,0,1|2,0,1]=4 2611 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb22746166 [0,0,0,0,0,1|1,0,1]=3 2612 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb2699117 [0,0,0,0,0,1|1,0,1]=3 2613 B8R0.5 C=CC[C@@H](O)CC(=O)O Amb28073530 [0,0,0,0,0,1|2,0,1]=4 2614 B8R0.5 C=CC[C@H](N)CC(=O)O Amb2699116 [0,0,0,0,0,1|1,0,1]=3 2615 B8R0.5 C=CC[C@H](N)CC(=O)O Amb33726074 [0,0,0,0,0,1|1,0,1]=3 2616 B8R0.5 C=CC[C@H](O)CC(=O)O Amb28345940 [0,0,0,0,0,1|2,0,1]=4 2617 B8R0.5 CC(CC#N)CC(=O)O Amb18642506 [0,0,0,0,0,1|3,0,0]=4 2618 B8R0.5 CC(CCF)CC(=O)O Amb24477914 [0,0,0,0,0,1|3,0,0]=4 2619 B8R0.5 CC(CCN)CC(=O)O Amb20667689 [0,0,0,0,0,1|3,0,0]=4 2620 B8R0.5 CC(CCN)CC(=O)O Amb24376646 [0,0,0,0,0,1|3,0,0]=4 2621 B8R0.5 CC(CCO)CC(=O)O Amb18642882 [0,0,0,0,0,1|3,0,0]=4 2622 B8R0.5 CCCC(Br)CC(C)=O Amb27974270 [0,0,0,0,0,1|3,0,0]=4 2623 B8R0.5 CCCC(C)CC(=O)O Amb6749227 [0,0,0,0,0,1|2,0,0]=3 2624 B8R0.5 CCCC(C)CC(C)=O Amb22229841 [0,0,0,0,0,1|3,0,0]=4 2625 B8R0.5 CCCC(C)CC(N)=O Amb25146057 [0,0,0,0,0,1|3,0,0]=4 2626 B8R0.5 CCCC(C)NC(=O)Cl Amb35637095 [0,0,0,0,0,1|3,0,0]=4 2627 B8R0.5 CCCC(C)OC(=O)Cl Amb27205395 [0,0,0,0,0,1|3,0,0]=4 2628 B8R0.5 CCCC(C)OC(C)=O Amb22732559 [0,0,0,0,0,1|3,0,0]=4 2629 B8R0.5 CCCC(C)OC(N)=O Amb27150798 [0,0,0,0,0,1|3,0,0]=4 2630 B8R0.5 CCCC(Cl)OC(C)=O Amb27490997 [0,0,0,0,0,1|3,0,0]=4 2631 B8R0.5 CCCC(N)C=C(C)C Amb28240518 [0,0,0,0,0,1|3,0,0]=4 2632 B8R0.5 CCCC(N)CC(=O)O Amb1993864 [0,0,0,0,0,1|1,0,0]=2 2633 B8R0.5 CCCC(N)CC(C)=O Amb28069229 [0,0,0,0,0,1|2,0,0]=3 2634 B8R0.5 CCCC(N)CC(N)=O Amb25128031 [0,0,0,0,0,1|2,0,0]=3 2635 B8R0.5 CCCC(N)CS(C)=O Amb27475787 [0,0,0,0,0,1|3,0,0]=4 2636 B8R0.5 CCCC(O)CC(=O)O Amb2699832 [0,0,0,0,0,1|2,0,0]=3 2637 B8R0.5 CCCC(O)CC(C)=O Amb17593376 [0,0,0,0,0,1|3,0,0]=4 2638 B8R0.5 CCCC(O)SC(C)=O Amb27807055 [0,0,0,0,0,1|3,0,0]=4 2639 B8R0.5 CCCN(C)CC(=O)O Amb19373314 [0,0,0,0,0,1|3,0,0]=4 2640 B8R0.5 CCCN(C)CC(=O)O Amb8899167 [0,0,0,0,0,1|3,0,0]=4 2641 B8R0.5 CCCN(O)CC(=O)O Amb27850231 [0,0,0,0,0,1|3,0,0]=4 2642 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [0,0,0,0,0,1|3,0,0]=4 2643 B8R0.5 CCC[C@@H](N)CC(=O)O Amb22225223 [0,0,0,0,0,1|1,0,0]=2 2644 B8R0.5 CCC[C@@H](N)CC(=O)O Amb24739278 [0,0,0,0,0,1|1,0,0]=2 2645 B8R0.5 CCC[C@@H](O)CC(=O)O Amb25188904 [0,0,0,0,0,1|2,0,0]=3 2646 B8R0.5 CCC[C@@H](O)CC(C)=O Amb25190233 [0,0,0,0,0,1|3,0,0]=4 2647 B8R0.5 CCC[C@H](C)CC(=O)O Amb10844381 [0,0,0,0,0,1|2,0,0]=3 2648 B8R0.5 CCC[C@H](C)NC(C)=O Amb27655527 [0,0,0,0,0,1|3,0,0]=4 2649 B8R0.5 CCC[C@H](N)CC(=O)O Amb22226359 [0,0,0,0,0,1|1,0,0]=2 2650 B8R0.5 CCC[C@H](N)CC(=O)O Amb27464904 [0,0,0,0,0,1|1,0,0]=2 2651 B8R0.5 CCC[C@H](O)CC(=O)O Amb25367955 [0,0,0,0,0,1|2,0,0]=3 2652 B8R0.5 CCC\C(C)=C\C(=O)O Amb33528454 [0,0,0,0,0,1|2,0,1]=4 2653 B8R0.5 CCC\C(N)=C\C(N)=O Amb27620335 [0,0,0,0,0,1|2,0,1]=4 2654 B8R0.5 CCNC(C)CC(=O)O Amb13952759 [0,0,0,0,0,1|3,0,0]=4 2655 B8R0.5 CCNC(C)CC(=O)O Amb9398369 [0,0,0,0,0,1|3,0,0]=4 2656 B8R0.5 CCOC(C)CC(=O)O Amb9397849 [0,0,0,0,0,1|3,0,0]=4 2657 B8R0.5 CCO\C(N)=C\C(=O)O Amb28285256 [0,0,0,0,0,1|2,0,1]=4 2658 B8R0.5 CCSC(C)CC(=O)O Amb9398136 [0,0,0,0,0,1|3,0,0]=4 2659 B8R0.5 CNCC(C)OC(N)=O Amb28078033 [0,0,0,0,0,1|3,0,0]=4 2660 B8R0.5 CNCC(O)CC(=O)O Amb28423259 [0,0,0,0,0,1|2,0,0]=3 2661 B8R0.5 CNCC(O)CC(=O)O Amb32661843 [0,0,0,0,0,1|2,0,0]=3 2662 B8R0.5 CNC[C@H](N)CC(=O)O Amb27798881 [0,0,0,0,0,1|1,0,0]=2 2663 B8R0.5 COCC(=O)CC(=O)O Amb24093174 [0,0,0,0,0,1|1,1,1]=4 2664 B8R0.5 COCC(C)CC(=O)O Amb19024342 [0,0,0,0,0,1|1,1,0]=3 2665 B8R0.5 COCC(C)CC(C)=O Amb27464321 [0,0,0,0,0,1|2,1,0]=4 2666 B8R0.5 COCC(C)CC(N)=O Amb27860801 [0,0,0,0,0,1|2,1,0]=4 2667 B8R0.5 COCC(C)NC(=O)Cl Amb35637106 [0,0,0,0,0,1|2,1,0]=4 2668 B8R0.5 COCC(C)NC(N)=O Amb405922 [0,0,0,0,0,1|2,1,0]=4 2669 B8R0.5 COCC(C)OC(=O)Cl Amb27395128 [0,0,0,0,0,1|2,1,0]=4 2670 B8R0.5 COCC(C)OC(C)=O Amb8516695 [0,0,0,0,0,1|2,1,0]=4 2671 B8R0.5 COCC(C)OC(N)=O Amb24645730 [0,0,0,0,0,1|2,1,0]=4 2672 B8R0.5 COCC(N)C=C(C)C Amb27413277 [0,0,0,0,0,1|2,1,0]=4 2673 B8R0.5 COCC(N)CC(=O)O Amb26641146 [0,0,0,0,0,1|0,1,0]=2 2674 B8R0.5 COCC(N)CC(C)O Amb27433240 [0,0,0,0,0,1|1,1,1]=4 2675 B8R0.5 COCC(N)CC(N)=O Amb33308419 [0,0,0,0,0,1|1,1,0]=3 2676 B8R0.5 COCC(O)CC(=O)O Amb18832518 [0,0,0,0,0,1|1,1,0]=3 2677 B8R0.5 COC[C@@H](C)OC(C)=O Amb27460270 [0,0,0,0,0,1|2,1,0]=4 2678 B8R0.5 COC[C@@H](O)CC(=O)O Amb33428853 [0,0,0,0,0,1|1,1,0]=3 2679 B8R0.5 COC[C@H](N)CC(=O)O Amb33038388 [0,0,0,0,0,1|0,1,0]=2 2680 B8R0.5 COC[C@H](N)CC(=O)O Amb33330661 [0,0,0,0,0,1|0,1,0]=2 2681 B8R0.5 COC[C@H](O)CC(=O)O Amb33428852 [0,0,0,0,0,1|1,1,0]=3 2682 B8R0.5 COC\C(C)=C\C(=O)O Amb25311787 [0,0,0,0,0,1|1,1,1]=4 2683 B8R0.5 CONC(C)CC(=O)O Amb26844930 [0,0,0,0,0,1|2,1,0]=4 2684 B8R0.5 CPCC(N)CC(=O)O Amb27184896 [0,0,0,0,0,1|1,0,0]=2 2685 B8R0.5 CSCC(C)CC(=O)O Amb33273729 [0,0,0,0,0,1|1,0,0]=2 2686 B8R0.5 CSCC(C)NC(=O)Cl Amb35633391 [0,0,0,0,0,1|2,0,0]=3 2687 B8R0.5 CSCC(C)OC(C)=O Amb24450062 [0,0,0,0,0,1|2,0,0]=3 2688 B8R0.5 CSCC(N)CC(=O)O Amb25960719 [0,0,0,0,0,1|0,0,0]=1 2689 B8R0.5 CSCC(O)CC(=O)O Amb24621046 [0,0,0,0,0,1|1,0,0]=2 2690 B8R0.5 CSC[C@@H](N)CC(=O)O Amb27961000 [0,0,0,0,0,1|0,0,0]=1 2691 B8R0.5 CSC[C@@H](O)CC(=O)O Amb33271747 [0,0,0,0,0,1|1,0,0]=2 2692 B8R0.5 CSC[C@H](O)CC(=O)O Amb33271746 [0,0,0,0,0,1|1,0,0]=2 2693 B8R0.5 C[C@H](CCO)CC(=O)O Amb27461411 [0,0,0,0,0,1|3,0,0]=4 2694 B8R0.5 C\C=C\C(N)CC(=O)O Amb25975538 [0,0,0,0,0,1|1,0,1]=3 2695 B8R0.5 C\C=C\C(N)CC(N)=O Amb24599388 [0,0,0,0,0,1|2,0,1]=4 2696 B8R0.5 C\C=C\C(O)CC(=O)O Amb8398291 [0,0,0,0,0,1|2,0,1]=4 2697 B8R0.5 C\C=C\[C@H](C)CC(=O)O Amb28047718 [0,0,0,0,0,1|2,0,1]=4 2698 B8R0.5 N#CCC(O)CC(=O)O Amb27249794 [0,0,0,0,0,1|3,0,0]=4 2699 B8R0.5 NC(CCF)CC(=O)O Amb33038391 [0,0,0,0,0,1|2,0,0]=3 2700 B8R0.5 NCCC(N)CC(=O)O Amb26043872 [0,0,0,0,0,1|2,0,0]=3 2701 B8R0.5 NCCC(O)CC(=O)O Amb27882021 [0,0,0,0,0,1|3,0,0]=4 2702 B8R0.5 NCCC(O)CC(=O)O Amb31031000 [0,0,0,0,0,1|3,0,0]=4 2703 B8R0.5 NCC[C@H](N)CC(=O)O Amb10067021 [0,0,0,0,0,1|2,0,0]=3 2704 B8R0.5 NCC[C@H](N)CC(=O)O Amb35750363 [0,0,0,0,0,1|2,0,0]=3 2705 B8R0.5 N[C@H](CCO)CC(=O)O Amb27169169 [0,0,0,0,0,1|2,0,0]=3 2706 B8R0.5 O=C(O)CC(O)CCF Amb33196428 [0,0,0,0,0,1|3,0,0]=4 2707 B8R0.5 O=C(O)CC(O)CCO Amb31031042 [0,0,0,0,0,1|3,0,0]=4 2708 B8R0.5 O=C(O)CC(O)CNO Amb28044304 [0,0,0,0,0,1|3,0,0]=4 2709 B8R0.5 O=C(O)C[C@@H](O)CCF Amb33196426 [0,0,0,0,0,1|3,0,0]=4 2710 B8R0.5 O=C(O)C[C@H](O)CCF Amb33196427 [0,0,0,0,0,1|3,0,0]=4 2711 B5R0.1 BC(=O)NCC Amb27430059 [2,0,0,0,0,0|2,0,0]=4 2712 B5R0.1 C#CCC(=O)O Amb33532662 [2,0,0,0,0,0|0,0,2]=4 2713 B5R0.1 C=C(Br)CSC Amb28313326 [2,0,0,0,0,0|1,0,1]=4 2714 B5R0.1 C=C(C)CCC Amb8513259 [2,0,0,0,0,0|2,0,0]=4 2715 B5R0.1 C=C(C)CCS Amb25887673 [2,0,0,0,0,0|2,0,0]=4 2716 B5R0.1 C=C(C)CSC Amb20671946 [2,0,0,0,0,0|1,0,1]=4 2717 B5R0.1 C=CCC(=O)O Amb3940098 [2,0,0,0,0,0|0,0,2]=4 2718 B5R0.1 CC#CC(=O)O Amb2685714 [2,0,0,0,0,0|0,0,2]=4 2719 B5R0.1 CC(=O)CCBr Amb24078246 [2,0,0,0,0,0|2,0,0]=4 2720 B5R0.1 CC(=O)CCCl Amb2720823 [2,0,0,0,0,0|2,0,0]=4 2721 B5R0.1 CC(=O)CCF Amb26427773 [2,0,0,0,0,0|2,0,0]=4 2722 B5R0.1 CC(=O)CCN Amb18632933 [2,0,0,0,0,0|2,0,0]=4 2723 B5R0.1 CC(=O)CCN Amb33544540 [2,0,0,0,0,0|2,0,0]=4 2724 B5R0.1 CC(=O)CCO Amb836357 [2,0,0,0,0,0|1,1,0]=4 2725 B5R0.1 CC(=O)CC[NH3+] Amb17205167 [2,0,0,0,0,0|2,0,0]=4 2726 B5R0.1 CC(=O)CSN Amb28430346 [2,0,0,0,0,0|2,0,0]=4 2727 B5R0.1 CCCB(O)O Amb2447105 [2,0,0,0,0,0|1,0,1]=4 2728 B5R0.1 CCCC(=N)N Amb10610381 [2,0,0,0,0,0|2,0,0]=4 2729 B5R0.1 CCCC(=N)N Amb2695914 [2,0,0,0,0,0|2,0,0]=4 2730 B5R0.1 CCCC(=O)Br Amb22734023 [2,0,0,0,0,0|1,0,0]=3 2731 B5R0.1 CCCC(=O)Cl Amb2792903 [2,0,0,0,0,0|1,0,0]=3 2732 B5R0.1 CCCC(=O)O Amb3939012 [2,0,0,0,0,0|0,0,0]=2 2733 B5R0.1 CCCC(=O)[O-] Amb8514901 [2,0,0,0,0,0|0,0,1]=3 2734 B5R0.1 CCCC(=S)Cl Amb24626931 [2,0,0,0,0,0|1,1,0]=4 2735 B5R0.1 CCCC(C)=O Amb6608910 [2,0,0,0,0,0|1,0,0]=3 2736 B5R0.1 CCCC(C)N Amb10609075 [2,0,0,0,0,0|1,0,1]=4 2737 B5R0.1 CCCC(C)N Amb3941259 [2,0,0,0,0,0|1,0,1]=4 2738 B5R0.1 CCCC(C)O Amb4605839 [2,0,0,0,0,0|1,0,1]=4 2739 B5R0.1 CCCC(N)=O Amb3886524 [2,0,0,0,0,0|1,0,0]=3 2740 B5R0.1 CCCC(N)=S Amb6245403 [2,0,0,0,0,0|1,1,0]=4 2741 B5R0.1 CCCC(N)=[NH2+] Amb8384484 [2,0,0,0,0,0|2,0,0]=4 2742 B5R0.1 CCCC(O)=S Amb22229383 [2,0,0,0,0,0|0,1,0]=3 2743 B5R0.1 CCCC(O)Cl Amb22552567 [2,0,0,0,0,0|1,0,1]=4 2744 B5R0.1 CCCC(O)O Amb26364594 [2,0,0,0,0,0|0,0,2]=4 2745 B5R0.1 CCCN(C)O Amb25024622 [2,0,0,0,0,0|2,0,0]=4 2746 B5R0.1 CCCS(=O)Cl Amb25025566 [2,0,0,0,0,0|2,0,0]=4 2747 B5R0.1 CCCS(=O)[O-] Amb19929119 [2,0,0,0,0,0|1,0,1]=4 2748 B5R0.1 CCCS(N)=O Amb24733579 [2,0,0,0,0,0|2,0,0]=4 2749 B5R0.1 CCC[C@@H](C)N Amb22898992 [2,0,0,0,0,0|1,0,1]=4 2750 B5R0.1 CCC[C@@H](C)N Amb23439500 [2,0,0,0,0,0|1,0,1]=4 2751 B5R0.1 CCC[C@@H](C)O Amb8628178 [2,0,0,0,0,0|1,0,1]=4 2752 B5R0.1 CCC[C@@H](N)O Amb28074861 [2,0,0,0,0,0|1,0,0]=3 2753 B5R0.1 CCC[C@H](C)N Amb21618754 [2,0,0,0,0,0|1,0,1]=4 2754 B5R0.1 CCC[C@H](C)N Amb31204590 [2,0,0,0,0,0|1,0,1]=4 2755 B5R0.1 CCC[C@H](C)O Amb8389338 [2,0,0,0,0,0|1,0,1]=4 2756 B5R0.1 CCC[N+](=O)[O-] Amb8513268 [2,0,0,0,0,0|1,0,1]=4 2757 B5R0.1 CCNC(=O)Cl Amb25791793 [2,0,0,0,0,0|2,0,0]=4 2758 B5R0.1 CCNC(C)=O Amb2780415 [2,0,0,0,0,0|2,0,0]=4 2759 B5R0.1 CCNC(N)=O Amb6608844 [2,0,0,0,0,0|2,0,0]=4 2760 B5R0.1 CCOC(=O)Cl Amb2793045 [2,0,0,0,0,0|2,0,0]=4 2761 B5R0.1 CCOC(=O)O Amb8393208 [2,0,0,0,0,0|1,0,0]=3 2762 B5R0.1 CCOC(C)=O Amb3940488 [2,0,0,0,0,0|2,0,0]=4 2763 B5R0.1 CCOC(N)=O Amb6608672 [2,0,0,0,0,0|2,0,0]=4 2764 B5R0.1 CCO[PH](=O)O Amb22360741 [2,0,0,0,0,0|2,0,0]=4 2765 B5R0.1 CCO[Si](=O)O Amb26569259 [2,0,0,0,0,0|1,1,0]=4 2766 B5R0.1 CCSC(=O)Cl Amb8516064 [2,0,0,0,0,0|2,0,0]=4 2767 B5R0.1 CNCC(=O)O Amb6298808 [2,0,0,0,0,0|1,0,0]=3 2768 B5R0.1 CNCC(=O)O Amb6599996 [2,0,0,0,0,0|1,0,0]=3 2769 B5R0.1 CNCC(=O)[O-] Amb20246714 [2,0,0,0,0,0|1,0,1]=4 2770 B5R0.1 CNCC(C)=O Amb17621974 [2,0,0,0,0,0|2,0,0]=4 2771 B5R0.1 CNCC(C)=O Amb21959975 [2,0,0,0,0,0|2,0,0]=4 2772 B5R0.1 CNCC(C)N Amb18281800 [2,0,0,0,0,0|1,0,1]=4 2773 B5R0.1 CNCC(C)N Amb20629142 [2,0,0,0,0,0|1,0,1]=4 2774 B5R0.1 CNCC(C)O Amb32666238 [2,0,0,0,0,0|2,0,0]=4 2775 B5R0.1 CNCC(C)O Amb9247471 [2,0,0,0,0,0|2,0,0]=4 2776 B5R0.1 CNCC(N)=O Amb19134307 [2,0,0,0,0,0|1,0,1]=4 2777 B5R0.1 CNCC(N)=O Amb3940074 [2,0,0,0,0,0|1,0,1]=4 2778 B5R0.1 CNCC(N)=O Amb9151172 [2,0,0,0,0,0|1,0,1]=4 2779 B5R0.1 CNC[C@@H](C)O Amb26972484 [2,0,0,0,0,0|2,0,0]=4 2780 B5R0.1 CNC[C@@H](C)O Amb32652763 [2,0,0,0,0,0|2,0,0]=4 2781 B5R0.1 CNC[C@H](C)N Amb27452084 [2,0,0,0,0,0|1,0,1]=4 2782 B5R0.1 CNC[C@H](C)O Amb27596614 [2,0,0,0,0,0|2,0,0]=4 2783 B5R0.1 CNC[C@H](C)O Amb32652861 [2,0,0,0,0,0|2,0,0]=4 2784 B5R0.1 COCC(=O)Cl Amb3939326 [2,0,0,0,0,0|1,1,0]=4 2785 B5R0.1 COCC(=O)O Amb3939876 [2,0,0,0,0,0|0,1,0]=3 2786 B5R0.1 COCC(C)=O Amb8513767 [2,0,0,0,0,0|1,1,0]=4 2787 B5R0.1 COCC(C)N Amb22233778 [2,0,0,0,0,0|0,1,1]=4 2788 B5R0.1 COCC(C)N Amb3939301 [2,0,0,0,0,0|0,1,1]=4 2789 B5R0.1 COCC(C)O Amb33544397 [2,0,0,0,0,0|1,1,0]=4 2790 B5R0.1 COCC(N)=O Amb1153776 [2,0,0,0,0,0|0,1,1]=4 2791 B5R0.1 COC[C@@H](C)N Amb18529651 [2,0,0,0,0,0|0,1,1]=4 2792 B5R0.1 COC[C@@H](C)N Amb19149178 [2,0,0,0,0,0|0,1,1]=4 2793 B5R0.1 COC[C@@H](C)O Amb8383545 [2,0,0,0,0,0|1,1,0]=4 2794 B5R0.1 COC[C@H](C)N Amb17061637 [2,0,0,0,0,0|0,1,1]=4 2795 B5R0.1 COC[C@H](C)N Amb24052963 [2,0,0,0,0,0|0,1,1]=4 2796 B5R0.1 COC[C@H](C)O Amb8515770 [2,0,0,0,0,0|1,1,0]=4 2797 B5R0.1 CSCC(=N)N Amb2696282 [2,0,0,0,0,0|1,0,1]=4 2798 B5R0.1 CSCC(=N)N Amb8630183 [2,0,0,0,0,0|1,0,1]=4 2799 B5R0.1 CSCC(=O)Cl Amb24528357 [2,0,0,0,0,0|1,0,0]=3 2800 B5R0.1 CSCC(=O)O Amb1152425 [2,0,0,0,0,0|0,0,0]=2 2801 B5R0.1 CSCC(C)=O Amb20621731 [2,0,0,0,0,0|1,0,0]=3 2802 B5R0.1 CSCC(C)Cl Amb24626062 [2,0,0,0,0,0|1,0,1]=4 2803 B5R0.1 CSCC(C)N Amb18963391 [2,0,0,0,0,0|0,0,1]=3 2804 B5R0.1 CSCC(C)O Amb20622311 [2,0,0,0,0,0|1,0,0]=3 2805 B5R0.1 CSCC(C)S Amb32788395 [2,0,0,0,0,0|1,0,1]=4 2806 B5R0.1 CSCC(Cl)Cl Amb26022177 [2,0,0,0,0,0|2,0,0]=4 2807 B5R0.1 CSCC(N)=O Amb19515874 [2,0,0,0,0,0|0,0,1]=3 2808 B5R0.1 CSCC(N)=S Amb17503394 [2,0,0,0,0,0|0,1,1]=4 2809 B5R0.1 CSCS(C)=O Amb22045140 [2,0,0,0,0,0|2,0,0]=4 2810 B5R0.1 CSC[C@@H](C)N Amb27837685 [2,0,0,0,0,0|0,0,1]=3 2811 B5R0.1 CSC[C@@H](C)O Amb24408899 [2,0,0,0,0,0|1,0,0]=3 2812 B5R0.1 CSC[C@H](C)N Amb26537772 [2,0,0,0,0,0|0,0,1]=3 2813 B5R0.1 CSC[C@H](C)O Amb24699036 [2,0,0,0,0,0|1,0,0]=3 2814 B5R0.1 CSNC(C)=O Amb22500292 [2,0,0,0,0,0|2,0,0]=4 2815 B5R0.1 C[NH2+]CC(N)=O Amb4303509 [2,0,0,0,0,0|1,0,1]=4 2816 B5R0.1 C\C=C/C(=O)O Amb27779315 [2,0,0,0,0,0|0,0,2]=4 2817 B5R0.1 C\C=C\C(=O)O Amb8385856 [2,0,0,0,0,0|0,0,2]=4 2818 B5R0.1 N#CCC(=O)O Amb2609022 [2,0,0,0,0,0|1,0,1]=4 2819 B5R0.1 NC(=O)CCBr Amb21618712 [2,0,0,0,0,0|2,0,0]=4 2820 B5R0.1 NC(=O)CCCl Amb1127569 [2,0,0,0,0,0|2,0,0]=4 2821 B5R0.1 NC(=O)CCF Amb28289353 [2,0,0,0,0,0|2,0,0]=4 2822 B5R0.1 NC(=O)CCI Amb27966778 [2,0,0,0,0,0|2,0,0]=4 2823 B5R0.1 NC(=O)CCO Amb9421407 [2,0,0,0,0,0|1,1,0]=4 2824 B5R0.1 NC(=O)CCS Amb27154802 [2,0,0,0,0,0|1,0,0]=3 2825 B5R0.1 NC(=S)CCS Amb17503271 [2,0,0,0,0,0|1,1,0]=4 2826 B5R0.1 NC(O)CCO Amb28252327 [2,0,0,0,0,0|2,0,0]=4 2827 B5R0.1 NCCC(=O)Cl Amb24117140 [2,0,0,0,0,0|2,0,0]=4 2828 B5R0.1 NCCC(=O)O Amb1935127 [2,0,0,0,0,0|1,0,0]=3 2829 B5R0.1 NCCC(=O)[O-] Amb28991330 [2,0,0,0,0,0|1,0,1]=4 2830 B5R0.1 NCCC(N)=O Amb1137251 [2,0,0,0,0,0|2,0,0]=4 2831 B5R0.1 NCCC(N)=O Amb9147573 [2,0,0,0,0,0|2,0,0]=4 2832 B5R0.1 NCCS(=O)O Amb6600043 [2,0,0,0,0,0|2,0,0]=4 2833 B5R0.1 NCC[PH](=O)O Amb22168066 [2,0,0,0,0,0|2,0,0]=4 2834 B5R0.1 NCC[PH](=O)O Amb35788864 [2,0,0,0,0,0|2,0,0]=4 2835 B5R0.1 NNCC(=O)O Amb32751165 [2,0,0,0,0,0|2,0,0]=4 2836 B5R0.1 NNCC(=O)O Amb6740299 [2,0,0,0,0,0|2,0,0]=4 2837 B5R0.1 NOCC(=O)O Amb1154237 [2,0,0,0,0,0|1,1,0]=4 2838 B5R0.1 NOCC(=O)O Amb4324355 [2,0,0,0,0,0|1,1,0]=4 2839 B5R0.1 NOCC(=O)O Amb8513076 [2,0,0,0,0,0|1,1,0]=4 2840 B5R0.1 O=C(Br)CCBr Amb24624022 [2,0,0,0,0,0|2,0,0]=4 2841 B5R0.1 O=C(Cl)CCBr Amb3941484 [2,0,0,0,0,0|2,0,0]=4 2842 B5R0.1 O=C(Cl)CCCl Amb3939313 [2,0,0,0,0,0|2,0,0]=4 2843 B5R0.1 O=C(Cl)CCF Amb27148631 [2,0,0,0,0,0|2,0,0]=4 2844 B5R0.1 O=C(Cl)CCI Amb28454579 [2,0,0,0,0,0|2,0,0]=4 2845 B5R0.1 O=C(Cl)CCO Amb27270014 [2,0,0,0,0,0|1,1,0]=4 2846 B5R0.1 O=C(F)CCCl Amb27257545 [2,0,0,0,0,0|2,0,0]=4 2847 B5R0.1 O=C(O)CCBr Amb2685479 [2,0,0,0,0,0|1,0,0]=3 2848 B5R0.1 O=C(O)CCCl Amb5395408 [2,0,0,0,0,0|1,0,0]=3 2849 B5R0.1 O=C(O)CCF Amb10603694 [2,0,0,0,0,0|1,0,0]=3 2850 B5R0.1 O=C(O)CCI Amb2688882 [2,0,0,0,0,0|1,0,0]=3 2851 B5R0.1 O=C(O)CCO Amb2688785 [2,0,0,0,0,0|0,1,0]=3 2852 B5R0.1 O=C(O)CCS Amb6608916 [2,0,0,0,0,0|0,0,0]=2 2853 B5R0.1 O=C(O)CNO Amb24120360 [2,0,0,0,0,0|1,1,0]=4 2854 B5R0.1 O=C(O)\C=C\S Amb28401590 [2,0,0,0,0,0|0,0,2]=4 2855 B5R0.1 O=C(S)CCCl Amb27461454 [2,0,0,0,0,0|1,1,0]=4 2856 B5R0.1 O=C([O-])CCO Amb22055495 [2,0,0,0,0,0|0,1,1]=4 2857 B5R0.1 O=CCC(=O)O Amb22169407 [2,0,0,0,0,0|0,1,1]=4 2858 B5R0.1 O=S(O)CCO Amb25937057 [2,0,0,0,0,0|1,1,0]=4 2859 B5R0.1 O=[N+]([O-])CCS Amb26620894 [2,0,0,0,0,0|1,0,1]=4 2860 B5R0.1 OC(O)CCS Amb25746150 [2,0,0,0,0,0|0,0,2]=4 2861 B5R0.2 C#CCCC=O Amb28049678 [2,0,0,0,0,0|1,0,1]=4 2862 B5R0.2 C#CCCSC Amb24579788 [2,0,0,0,0,0|1,0,1]=4 2863 B5R0.2 C=CCCC=O Amb4358616 [2,0,0,0,0,0|1,0,1]=4 2864 B5R0.2 C=CCCCC Amb3940497 [2,0,0,0,0,0|2,0,0]=4 2865 B5R0.2 C=CCCNC Amb18993048 [2,0,0,0,0,0|2,0,0]=4 2866 B5R0.2 C=CCCNC Amb33553635 [2,0,0,0,0,0|2,0,0]=4 2867 B5R0.2 C=CCCOC Amb28065418 [2,0,0,0,0,0|1,1,0]=4 2868 B5R0.2 C=CCCSC Amb24431590 [2,0,0,0,0,0|1,0,0]=3 2869 B5R0.2 C=CCSSC Amb22730604 [2,0,0,0,0,0|2,0,0]=4 2870 B5R0.2 CC#CCC=O Amb27850282 [2,0,0,0,0,0|1,0,1]=4 2871 B5R0.2 CCCCC=O Amb3939655 [2,0,0,0,0,0|1,0,0]=3 2872 B5R0.2 CCCCCO Amb3939051 [2,0,0,0,0,0|1,0,1]=4 2873 B5R0.2 CCCCNO Amb24686451 [2,0,0,0,0,0|2,0,0]=4 2874 B5R0.2 CCCCNO Amb32687485 [2,0,0,0,0,0|2,0,0]=4 2875 B5R0.2 CCCCSC Amb4036342 [2,0,0,0,0,0|1,0,1]=4 2876 B5R0.2 CCSCC=O Amb17940620 [2,0,0,0,0,0|2,0,0]=4 2877 B5R0.2 CNCCCO Amb9246656 [2,0,0,0,0,0|1,0,1]=4 2878 B5R0.2 CNCCNO Amb27976196 [2,0,0,0,0,0|2,0,0]=4 2879 B5R0.2 CNCCSC Amb15701319 [2,0,0,0,0,0|2,0,0]=4 2880 B5R0.2 CNCCSC Amb20625111 [2,0,0,0,0,0|2,0,0]=4 2881 B5R0.2 COCCC=O Amb10602324 [2,0,0,0,0,0|0,1,0]=3 2882 B5R0.2 COCCCO Amb8385593 [2,0,0,0,0,0|0,1,1]=4 2883 B5R0.2 COCCNO Amb25284480 [2,0,0,0,0,0|1,1,0]=4 2884 B5R0.2 COCCSC Amb4020919 [2,0,0,0,0,0|2,0,0]=4 2885 B5R0.2 COCNC=O Amb28049834 [2,0,0,0,0,0|1,1,0]=4 2886 B5R0.2 CSCCC#N Amb17307555 [2,0,0,0,0,0|1,0,1]=4 2887 B5R0.2 CSCCC=O Amb3939952 [2,0,0,0,0,0|0,0,0]=2 2888 B5R0.2 CSCCCBr Amb18180189 [2,0,0,0,0,0|1,0,1]=4 2889 B5R0.2 CSCCCCl Amb10602296 [2,0,0,0,0,0|1,0,1]=4 2890 B5R0.2 CSCCCN Amb33801570 [2,0,0,0,0,0|1,0,1]=4 2891 B5R0.2 CSCCCN Amb6718923 [2,0,0,0,0,0|1,0,1]=4 2892 B5R0.2 CSCCCO Amb3939523 [2,0,0,0,0,0|0,0,1]=3 2893 B5R0.2 CSCCCS Amb25744031 [2,0,0,0,0,0|0,1,1]=4 2894 B5R0.2 CSCCNN Amb18640583 [2,0,0,0,0,0|2,0,0]=4 2895 B5R0.2 CSCCNO Amb33272071 [2,0,0,0,0,0|1,0,0]=3 2896 B5R0.2 CSCCON Amb25806571 [2,0,0,0,0,0|2,0,0]=4 2897 B5R0.2 CSCCSC Amb25101746 [2,0,0,0,0,0|2,0,0]=4 2898 B5R0.2 CSC\C=N\O Amb22168142 [2,0,0,0,0,0|1,0,1]=4 2899 B5R0.2 C\C=C\CC=O Amb26655030 [2,0,0,0,0,0|1,0,1]=4 2900 B5R0.2 N#CCCC=O Amb3941009 [2,0,0,0,0,0|2,0,0]=4 2901 B5R0.2 NCCCC=O Amb26851044 [2,0,0,0,0,0|2,0,0]=4 2902 B5R0.2 O=CCCC=O Amb8395090 [2,0,0,0,0,0|2,0,0]=4 2903 B5R0.2 O=CCCCBr Amb18644189 [2,0,0,0,0,0|2,0,0]=4 2904 B5R0.2 O=CCCCCl Amb8395190 [2,0,0,0,0,0|2,0,0]=4 2905 B5R0.2 O=CCCCF Amb24056028 [2,0,0,0,0,0|2,0,0]=4 2906 B5R0.2 O=CCCCI Amb27249641 [2,0,0,0,0,0|2,0,0]=4 2907 B5R0.2 O=CCCCO Amb24589235 [2,0,0,0,0,0|2,0,0]=4 2908 B5R0.2 O=CCCSS Amb22524519 [2,0,0,0,0,0|1,0,0]=3 2909 B5R0.2 [C-]#[N+]CCSC Amb27222323 [2,0,0,0,0,0|2,0,0]=4 2910 B5R0.3 C#CC(N)CC Amb26316205 [2,0,0,0,0,0|1,0,1]=4 2911 B5R0.3 C#CC(N)CC Amb33164073 [2,0,0,0,0,0|1,0,1]=4 2912 B5R0.3 C#C[C@@H](N)CC Amb27837716 [2,0,0,0,0,0|1,0,1]=4 2913 B5R0.3 C=C(C=O)CC Amb17940102 [2,0,0,0,0,0|1,0,1]=4 2914 B5R0.3 C=CC(C)CC Amb8513436 [2,0,0,0,0,0|2,0,0]=4 2915 B5R0.3 C=CC(N)CC Amb26349978 [2,0,0,0,0,0|1,0,0]=3 2916 B5R0.3 C=CC(N)CC Amb31291608 [2,0,0,0,0,0|1,0,0]=3 2917 B5R0.3 C=CC(N)CF Amb27593895 [2,0,0,0,0,0|2,0,0]=4 2918 B5R0.3 C=CC(N)CO Amb19374935 [2,0,0,0,0,0|1,1,0]=4 2919 B5R0.3 C=CC(N)CO Amb28555332 [2,0,0,0,0,0|1,1,0]=4 2920 B5R0.3 C=CC(N)CS Amb18120558 [2,0,0,0,0,0|1,0,0]=3 2921 B5R0.3 C=CC(O)CC Amb3940382 [2,0,0,0,0,0|2,0,0]=4 2922 B5R0.3 C=C[C@@H](N)CO Amb19886656 [2,0,0,0,0,0|1,1,0]=4 2923 B5R0.3 C=C[C@@H](N)CO Amb27247092 [2,0,0,0,0,0|1,1,0]=4 2924 B5R0.3 C=C[C@@H](O)CC Amb27813799 [2,0,0,0,0,0|2,0,0]=4 2925 B5R0.3 C=C[C@H](N)CO Amb25147462 [2,0,0,0,0,0|1,1,0]=4 2926 B5R0.3 C=C[C@H](N)CO Amb8631419 [2,0,0,0,0,0|1,1,0]=4 2927 B5R0.3 CC(C=O)CF Amb24638421 [2,0,0,0,0,0|2,0,0]=4 2928 B5R0.3 CC(CO)CS Amb19375381 [2,0,0,0,0,0|1,0,1]=4 2929 B5R0.3 CCC(=O)C=O Amb22228532 [2,0,0,0,0,0|1,0,1]=4 2930 B5R0.3 CCC(Br)C=O Amb18124003 [2,0,0,0,0,0|1,0,0]=3 2931 B5R0.3 CCC(Br)CO Amb27637663 [2,0,0,0,0,0|1,0,1]=4 2932 B5R0.3 CCC(C)C=O Amb3939899 [2,0,0,0,0,0|1,0,0]=3 2933 B5R0.3 CCC(C)CO Amb3939046 [2,0,0,0,0,0|1,0,1]=4 2934 B5R0.3 CCC(Cl)C=O Amb18122610 [2,0,0,0,0,0|1,0,0]=3 2935 B5R0.3 CCC(Cl)CO Amb22011826 [2,0,0,0,0,0|1,0,1]=4 2936 B5R0.3 CCC(F)CO Amb27454301 [2,0,0,0,0,0|1,0,1]=4 2937 B5R0.3 CCC(N)C#N Amb10203825 [2,0,0,0,0,0|1,0,1]=4 2938 B5R0.3 CCC(N)C#N Amb1136995 [2,0,0,0,0,0|1,0,1]=4 2939 B5R0.3 CCC(N)CBr Amb26491532 [2,0,0,0,0,0|1,0,1]=4 2940 B5R0.3 CCC(N)CC Amb3939864 [2,0,0,0,0,0|1,0,1]=4 2941 B5R0.3 CCC(N)CCl Amb28313277 [2,0,0,0,0,0|1,0,1]=4 2942 B5R0.3 CCC(N)CF Amb26601671 [2,0,0,0,0,0|1,0,1]=4 2943 B5R0.3 CCC(N)CF Amb32652398 [2,0,0,0,0,0|1,0,1]=4 2944 B5R0.3 CCC(N)CN Amb33534078 [2,0,0,0,0,0|1,0,1]=4 2945 B5R0.3 CCC(N)CN Amb9380664 [2,0,0,0,0,0|1,0,1]=4 2946 B5R0.3 CCC(N)CO Amb9703106 [2,0,0,0,0,0|0,0,1]=3 2947 B5R0.3 CCC(N)CS Amb18122513 [2,0,0,0,0,0|0,1,1]=4 2948 B5R0.3 CCC(N)CS Amb32693424 [2,0,0,0,0,0|0,1,1]=4 2949 B5R0.3 CCC(N)[SH]=O Amb28241197 [2,0,0,0,0,0|1,0,0]=3 2950 B5R0.3 CCC(O)CO Amb8517157 [2,0,0,0,0,0|1,0,1]=4 2951 B5R0.3 CCC(S)CO Amb27211706 [2,0,0,0,0,0|1,0,1]=4 2952 B5R0.3 CCN(C)C=O Amb20627285 [2,0,0,0,0,0|2,0,0]=4 2953 B5R0.3 CCN(N)C=O Amb24428031 [2,0,0,0,0,0|1,0,0]=3 2954 B5R0.3 CC[C@@H](Br)CO Amb27863418 [2,0,0,0,0,0|1,0,1]=4 2955 B5R0.3 CC[C@@H](C)C=O Amb27759282 [2,0,0,0,0,0|1,0,0]=3 2956 B5R0.3 CC[C@@H](C)CO Amb22799907 [2,0,0,0,0,0|1,0,1]=4 2957 B5R0.3 CC[C@@H](N)C#N Amb25024729 [2,0,0,0,0,0|1,0,1]=4 2958 B5R0.3 CC[C@@H](N)C#N Amb27949151 [2,0,0,0,0,0|1,0,1]=4 2959 B5R0.3 CC[C@@H](N)CF Amb33624248 [2,0,0,0,0,0|1,0,1]=4 2960 B5R0.3 CC[C@@H](N)CO Amb3940043 [2,0,0,0,0,0|0,0,1]=3 2961 B5R0.3 CC[C@@H](O)CO Amb20241381 [2,0,0,0,0,0|1,0,1]=4 2962 B5R0.3 CC[C@H](C)C=O Amb27837733 [2,0,0,0,0,0|1,0,0]=3 2963 B5R0.3 CC[C@H](C)CO Amb10844611 [2,0,0,0,0,0|1,0,1]=4 2964 B5R0.3 CC[C@H](N)C#N Amb25887559 [2,0,0,0,0,0|1,0,1]=4 2965 B5R0.3 CC[C@H](N)C#N Amb26415160 [2,0,0,0,0,0|1,0,1]=4 2966 B5R0.3 CC[C@H](N)C=O Amb27460588 [2,0,0,0,0,0|0,0,0]=2 2967 B5R0.3 CC[C@H](N)CO Amb3939341 [2,0,0,0,0,0|0,0,1]=3 2968 B5R0.3 CC[C@H](O)CO Amb20241380 [2,0,0,0,0,0|1,0,1]=4 2969 B5R0.3 CC\C(N)=N/O Amb10609125 [2,0,0,0,0,0|1,0,1]=4 2970 B5R0.3 CC\C(N)=N\O Amb1125701 [2,0,0,0,0,0|1,0,1]=4 2971 B5R0.3 CC\C(N)=N\O Amb19883708 [2,0,0,0,0,0|1,0,1]=4 2972 B5R0.3 COC(C)C=O Amb27875195 [2,0,0,0,0,0|1,1,0]=4 2973 B5R0.3 CO[C@@H](C)C=O Amb28121215 [2,0,0,0,0,0|1,1,0]=4 2974 B5R0.3 CO[C@H](C)C=O Amb28284155 [2,0,0,0,0,0|1,1,0]=4 2975 B5R0.3 CSC(=O)C=O Amb28284177 [2,0,0,0,0,0|1,0,1]=4 2976 B5R0.3 CSC(C)C=O Amb27454927 [2,0,0,0,0,0|1,0,0]=3 2977 B5R0.3 CSC(C)CO Amb24438636 [2,0,0,0,0,0|1,0,1]=4 2978 B5R0.3 CSC(Cl)C=O Amb27233402 [2,0,0,0,0,0|1,0,0]=3 2979 B5R0.3 CSC(F)CO Amb28428675 [2,0,0,0,0,0|1,0,1]=4 2980 B5R0.3 CS\C(N)=N\O Amb26628739 [2,0,0,0,0,0|1,0,1]=4 2981 B5R0.3 C[C@@H](C=O)CBr Amb28200669 [2,0,0,0,0,0|2,0,0]=4 2982 B5R0.3 C[C@@H](C=O)CO Amb27455063 [2,0,0,0,0,0|1,1,0]=4 2983 B5R0.3 NC(C=O)C=O Amb22751007 [2,0,0,0,0,0|0,1,1]=4 2984 B5R0.3 NC(C=O)CS Amb27626007 [2,0,0,0,0,0|0,0,0]=2 2985 B5R0.3 NC(CO)CF Amb20622637 [2,0,0,0,0,0|1,0,1]=4 2986 B5R0.3 NC(CO)CF Amb25734803 [2,0,0,0,0,0|1,0,1]=4 2987 B5R0.3 NC(CO)CO Amb3939868 [2,0,0,0,0,0|0,1,1]=4 2988 B5R0.3 NC(CO)CO Amb8396812 [2,0,0,0,0,0|0,1,1]=4 2989 B5R0.3 NC(CS)CS Amb24120335 [2,0,0,0,0,0|0,1,1]=4 2990 B5R0.3 NCC(N)CO Amb24117147 [2,0,0,0,0,0|1,0,1]=4 2991 B5R0.3 NCC(N)CO Amb33292549 [2,0,0,0,0,0|1,0,1]=4 2992 B5R0.3 NCC(N)CS Amb27167387 [2,0,0,0,0,0|1,0,1]=4 2993 B5R0.3 NC[C@@H](N)CO Amb19374894 [2,0,0,0,0,0|1,0,1]=4 2994 B5R0.3 NC[C@@H](N)CO Amb32990166 [2,0,0,0,0,0|1,0,1]=4 2995 B5R0.3 NC[C@H](F)C=O Amb27204919 [2,0,0,0,0,0|2,0,0]=4 2996 B5R0.3 NC[C@H](N)CO Amb26390006 [2,0,0,0,0,0|1,0,1]=4 2997 B5R0.3 NC[C@H](N)CO Amb32789590 [2,0,0,0,0,0|1,0,1]=4 2998 B5R0.3 N[C@@H](CO)CF Amb33376913 [2,0,0,0,0,0|1,0,1]=4 2999 B5R0.3 N[C@H](C=O)CO Amb27170308 [2,0,0,0,0,0|0,1,0]=3 3000 B5R0.3 N[C@H](CO)CF Amb33376914 [2,0,0,0,0,0|1,0,1]=4 3001 B5R0.3 N[C@H](CO)CF Amb33620306 [2,0,0,0,0,0|1,0,1]=4 3002 B5R0.3 O=CC(Br)CBr Amb17670591 [2,0,0,0,0,0|2,0,0]=4 3003 B5R0.3 O=CC(Br)CCl Amb18647566 [2,0,0,0,0,0|2,0,0]=4 3004 B5R0.3 O=CC(Cl)CO Amb17593122 [2,0,0,0,0,0|1,1,0]=4 3005 B5R0.3 O=CC(F)CF Amb28051572 [2,0,0,0,0,0|2,0,0]=4 3006 B5R0.3 O=CC(F)CO Amb28043006 [2,0,0,0,0,0|1,1,0]=4 3007 B5R0.3 O=CC(O)CO Amb3940759 [2,0,0,0,0,0|1,1,0]=4 3008 B5R0.3 O=CC(S)CO Amb4020723 [2,0,0,0,0,0|1,1,0]=4 3009 B5R0.3 O=C[C@@H](O)CF Amb28247090 [2,0,0,0,0,0|2,0,0]=4 3010 B5R0.3 O=C[C@@H](O)CO Amb16232009 [2,0,0,0,0,0|1,1,0]=4 3011 B5R0.3 O=C[C@H](O)CO Amb20242417 [2,0,0,0,0,0|1,1,0]=4 3012 B5R0.3 OCC(Cl)CS Amb17593329 [2,0,0,0,0,0|1,0,1]=4 3013 B5R0.3 OCC(O)CS Amb8395100 [2,0,0,0,0,0|1,0,1]=4 3014 B5R0.3 OCC(S)CS Amb8513135 [2,0,0,0,0,0|1,0,1]=4 3015 B5R0.3 OC[C@@H](O)CS Amb25943783 [2,0,0,0,0,0|1,0,1]=4 3016 B5R0.3 OC[C@@H](S)CS Amb26887679 [2,0,0,0,0,0|1,0,1]=4 3017 B5R0.3 OC[C@H](O)CS Amb26635114 [2,0,0,0,0,0|1,0,1]=4 3018 B5R0.3 OC[C@H](S)CS Amb26487293 [2,0,0,0,0,0|1,0,1]=4 3019 B5R0.5 C=C(C)C(=O)O Amb6608998 [2,0,0,0,0,0|1,0,1]=4 3020 B5R0.5 C=C(C)[C@@H](C)N Amb33199904 [2,0,0,0,0,0|2,0,0]=4 3021 B5R0.5 C=C(C)[C@H](C)N Amb33199903 [2,0,0,0,0,0|2,0,0]=4 3022 B5R0.5 CC(=O)C(=O)O Amb932807 [2,0,0,0,0,0|1,0,1]=4 3023 B5R0.5 CC(=O)C(C)Br Amb8384405 [2,0,0,0,0,0|2,0,0]=4 3024 B5R0.5 CC(=O)C(C)C Amb4605987 [2,0,0,0,0,0|2,0,0]=4 3025 B5R0.5 CC(=O)C(C)Cl Amb9702838 [2,0,0,0,0,0|2,0,0]=4 3026 B5R0.5 CC(=O)C(C)F Amb10841897 [2,0,0,0,0,0|2,0,0]=4 3027 B5R0.5 CC(=O)C(C)I Amb28315734 [2,0,0,0,0,0|2,0,0]=4 3028 B5R0.5 CC(=O)C(C)N Amb17593029 [2,0,0,0,0,0|1,0,0]=3 3029 B5R0.5 CC(=O)C(C)N Amb19148817 [2,0,0,0,0,0|1,0,0]=3 3030 B5R0.5 CC(=O)C(C)O Amb6608962 [2,0,0,0,0,0|2,0,0]=4 3031 B5R0.5 CC(=O)C(C)S Amb8393169 [2,0,0,0,0,0|2,0,0]=4 3032 B5R0.5 CC(=O)N(C)N Amb17593037 [2,0,0,0,0,0|2,0,0]=4 3033 B5R0.5 CC(=O)[C@@H](C)N Amb22748924 [2,0,0,0,0,0|1,0,0]=3 3034 B5R0.5 CC(=O)[C@H](C)N Amb26418661 [2,0,0,0,0,0|1,0,0]=3 3035 B5R0.5 CC(=S)C(=O)O Amb27424126 [2,0,0,0,0,0|1,0,1]=4 3036 B5R0.5 CC(Br)C(=O)Br Amb7969424 [2,0,0,0,0,0|2,0,0]=4 3037 B5R0.5 CC(Br)C(=O)Cl Amb6296592 [2,0,0,0,0,0|2,0,0]=4 3038 B5R0.5 CC(Br)C(=O)O Amb2795764 [2,0,0,0,0,0|1,0,0]=3 3039 B5R0.5 CC(Br)C(N)=O Amb2779903 [2,0,0,0,0,0|2,0,0]=4 3040 B5R0.5 CC(C)C(=O)Br Amb22731066 [2,0,0,0,0,0|2,0,0]=4 3041 B5R0.5 CC(C)C(=O)Cl Amb3939052 [2,0,0,0,0,0|2,0,0]=4 3042 B5R0.5 CC(C)C(=O)F Amb25848493 [2,0,0,0,0,0|2,0,0]=4 3043 B5R0.5 CC(C)C(=O)I Amb26992316 [2,0,0,0,0,0|2,0,0]=4 3044 B5R0.5 CC(C)C(=O)O Amb3939822 [2,0,0,0,0,0|1,0,0]=3 3045 B5R0.5 CC(C)C(=O)S Amb33482574 [2,0,0,0,0,0|1,1,0]=4 3046 B5R0.5 CC(C)C(N)=O Amb1153145 [2,0,0,0,0,0|2,0,0]=4 3047 B5R0.5 CC(C)N(=O)O Amb33789630 [2,0,0,0,0,0|2,0,0]=4 3048 B5R0.5 CC(C)S(=O)O Amb27245066 [2,0,0,0,0,0|2,0,0]=4 3049 B5R0.5 CC(Cl)C(=O)Cl Amb9703139 [2,0,0,0,0,0|2,0,0]=4 3050 B5R0.5 CC(Cl)C(=O)F Amb27863699 [2,0,0,0,0,0|2,0,0]=4 3051 B5R0.5 CC(Cl)C(=O)O Amb3940363 [2,0,0,0,0,0|1,0,0]=3 3052 B5R0.5 CC(Cl)C(N)=O Amb9745753 [2,0,0,0,0,0|2,0,0]=4 3053 B5R0.5 CC(Cl)S(=O)O Amb27983761 [2,0,0,0,0,0|2,0,0]=4 3054 B5R0.5 CC(F)C(=O)O Amb10605770 [2,0,0,0,0,0|1,0,0]=3 3055 B5R0.5 CC(F)C(N)=O Amb28248497 [2,0,0,0,0,0|2,0,0]=4 3056 B5R0.5 CC(I)C(=O)O Amb26450528 [2,0,0,0,0,0|1,0,0]=3 3057 B5R0.5 CC(I)C(N)=O Amb25684673 [2,0,0,0,0,0|2,0,0]=4 3058 B5R0.5 CC(N)B(O)O Amb25844423 [2,0,0,0,0,0|1,0,1]=4 3059 B5R0.5 CC(N)C(=O)O Amb32724352 [2,0,0,0,0,0|0,0,0]=2 3060 B5R0.5 CC(N)C(=O)O Amb5716847 [2,0,0,0,0,0|0,0,0]=2 3061 B5R0.5 CC(N)C(=O)S Amb27175379 [2,0,0,0,0,0|0,1,0]=3 3062 B5R0.5 CC(N)C(C)O Amb33801453 [2,0,0,0,0,0|1,0,1]=4 3063 B5R0.5 CC(N)C(C)O Amb8630303 [2,0,0,0,0,0|1,0,1]=4 3064 B5R0.5 CC(N)C(N)=O Amb21958673 [2,0,0,0,0,0|1,0,0]=3 3065 B5R0.5 CC(N)C(N)=O Amb33532935 [2,0,0,0,0,0|1,0,0]=3 3066 B5R0.5 CC(N)C(N)=S Amb19374914 [2,0,0,0,0,0|1,1,0]=4 3067 B5R0.5 CC(N)C(N)=S Amb33527239 [2,0,0,0,0,0|1,1,0]=4 3068 B5R0.5 CC(O)C(=O)O Amb9703100 [2,0,0,0,0,0|1,0,0]=3 3069 B5R0.5 CC(O)C(=O)[O-] Amb3499440 [2,0,0,0,0,0|1,0,1]=4 3070 B5R0.5 CC(O)C(=O)[O-] Amb9787591 [2,0,0,0,0,0|1,0,1]=4 3071 B5R0.5 CC(O)C(N)=O Amb6394657 [2,0,0,0,0,0|2,0,0]=4 3072 B5R0.5 CC(O)[C@@H](C)N Amb30010753 [2,0,0,0,0,0|1,0,1]=4 3073 B5R0.5 CC(O)[C@H](C)N Amb35713820 [2,0,0,0,0,0|1,0,1]=4 3074 B5R0.5 CC(S)C(=O)O Amb6608753 [2,0,0,0,0,0|1,0,0]=3 3075 B5R0.5 CN(C)C(=O)O Amb22348477 [2,0,0,0,0,0|2,0,0]=4 3076 B5R0.5 CN(N)C(N)=O Amb27167382 [2,0,0,0,0,0|2,0,0]=4 3077 B5R0.5 C[C@@H](Br)C(=O)Br Amb27455066 [2,0,0,0,0,0|2,0,0]=4 3078 B5R0.5 C[C@@H](Br)C(=O)Cl Amb26395930 [2,0,0,0,0,0|2,0,0]=4 3079 B5R0.5 C[C@@H](Br)C(=O)O Amb8515030 [2,0,0,0,0,0|1,0,0]=3 3080 B5R0.5 C[C@@H](Cl)C(=O)Cl Amb28140701 [2,0,0,0,0,0|2,0,0]=4 3081 B5R0.5 C[C@@H](Cl)C(=O)O Amb2725594 [2,0,0,0,0,0|1,0,0]=3 3082 B5R0.5 C[C@@H](I)C(=O)O Amb27878762 [2,0,0,0,0,0|1,0,0]=3 3083 B5R0.5 C[C@@H](I)C(N)=O Amb27863419 [2,0,0,0,0,0|2,0,0]=4 3084 B5R0.5 C[C@@H](N)B(O)O Amb27662188 [2,0,0,0,0,0|1,0,1]=4 3085 B5R0.5 C[C@@H](N)C(=O)O Amb3940457 [2,0,0,0,0,0|0,0,0]=2 3086 B5R0.5 C[C@@H](N)C(N)=O Amb2371905 [2,0,0,0,0,0|1,0,0]=3 3087 B5R0.5 C[C@@H](N)C(N)=O Amb2778751 [2,0,0,0,0,0|1,0,0]=3 3088 B5R0.5 C[C@@H](N)[C@@H](C)O Amb26068187 [2,0,0,0,0,0|1,0,1]=4 3089 B5R0.5 C[C@@H](O)C(=O)Cl Amb28350419 [2,0,0,0,0,0|2,0,0]=4 3090 B5R0.5 C[C@@H](O)C(=O)O Amb6600026 [2,0,0,0,0,0|1,0,0]=3 3091 B5R0.5 C[C@@H](O)C(=O)[O-] Amb22350432 [2,0,0,0,0,0|1,0,1]=4 3092 B5R0.5 C[C@@H](O)C(=O)[O-] Amb8514494 [2,0,0,0,0,0|1,0,1]=4 3093 B5R0.5 C[C@@H](O)C(N)=O Amb3939680 [2,0,0,0,0,0|2,0,0]=4 3094 B5R0.5 C[C@H](Br)C(=O)O Amb8515029 [2,0,0,0,0,0|1,0,0]=3 3095 B5R0.5 C[C@H](Cl)C(=O)Cl Amb24373163 [2,0,0,0,0,0|2,0,0]=4 3096 B5R0.5 C[C@H](Cl)C(=O)F Amb28138044 [2,0,0,0,0,0|2,0,0]=4 3097 B5R0.5 C[C@H](Cl)C(=O)O Amb17776586 [2,0,0,0,0,0|1,0,0]=3 3098 B5R0.5 C[C@H](F)C(=O)O Amb27216697 [2,0,0,0,0,0|1,0,0]=3 3099 B5R0.5 C[C@H](N)C(=O)O Amb33780861 [2,0,0,0,0,0|0,0,0]=2 3100 B5R0.5 C[C@H](N)C(=O)O Amb6298336 [2,0,0,0,0,0|0,0,0]=2 3101 B5R0.5 C[C@H](N)C(=O)S Amb28315892 [2,0,0,0,0,0|0,1,0]=3 3102 B5R0.5 C[C@H](N)C(N)=O Amb20670443 [2,0,0,0,0,0|1,0,0]=3 3103 B5R0.5 C[C@H](N)C(N)=O Amb2371522 [2,0,0,0,0,0|1,0,0]=3 3104 B5R0.5 C[C@H](N)C(N)=O Amb2778752 [2,0,0,0,0,0|1,0,0]=3 3105 B5R0.5 C[C@H](N)C(N)=O Amb33822632 [2,0,0,0,0,0|1,0,0]=3 3106 B5R0.5 C[C@H](N)[C@H](C)O Amb28126703 [2,0,0,0,0,0|1,0,1]=4 3107 B5R0.5 C[C@H](N)[C@H](C)O Amb35789596 [2,0,0,0,0,0|1,0,1]=4 3108 B5R0.5 C[C@H](O)C(=O)O Amb8386374 [2,0,0,0,0,0|1,0,0]=3 3109 B5R0.5 C[C@H](O)C(=O)[O-] Amb17772234 [2,0,0,0,0,0|1,0,1]=4 3110 B5R0.5 C[C@H](O)C(=O)[O-] Amb8515200 [2,0,0,0,0,0|1,0,1]=4 3111 B5R0.5 C[C@H](O)C(N)=O Amb3939676 [2,0,0,0,0,0|2,0,0]=4 3112 B5R0.5 C[C@H](S)C(=O)O Amb25147510 [2,0,0,0,0,0|1,0,0]=3 3113 B5R0.5 N=C(S)C(=O)O Amb18640468 [2,0,0,0,0,0|0,0,2]=4 3114 B5R0.5 NC(=O)C(=O)O Amb32666615 [2,0,0,0,0,0|0,1,1]=4 3115 B5R0.5 NC(=O)C(=O)O Amb3940455 [2,0,0,0,0,0|0,1,1]=4 3116 B5R0.5 NC(Br)C(=O)O Amb25724348 [2,0,0,0,0,0|1,0,0]=3 3117 B5R0.5 NC(O)C(=O)O Amb24663706 [2,0,0,0,0,0|0,1,0]=3 3118 B5R0.5 NC(S)C(=O)O Amb27253385 [2,0,0,0,0,0|0,0,0]=2 3119 B5R0.5 N[C@@H](S)C(=O)O Amb27788398 [2,0,0,0,0,0|0,0,0]=2 3120 B5R0.5 O=C(O)C(Br)I Amb17610018 [2,0,0,0,0,0|2,0,0]=4 3121 B5R0.5 O=C(O)C(Cl)Cl Amb6891960 [2,0,0,0,0,0|2,0,0]=4 3122 B5R0.5 O=C(O)C(Cl)I Amb17610937 [2,0,0,0,0,0|2,0,0]=4 3123 B5R0.5 O=C(O)C(F)Br Amb10841090 [2,0,0,0,0,0|2,0,0]=4 3124 B5R0.5 O=C(O)C(F)Cl Amb10838714 [2,0,0,0,0,0|2,0,0]=4 3125 B5R0.5 O=C(O)C(F)F Amb1953492 [2,0,0,0,0,0|2,0,0]=4 3126 B5R0.5 O=C(O)C(F)I Amb10838458 [2,0,0,0,0,0|2,0,0]=4 3127 B5R0.5 O=C(O)C(I)I Amb17612865 [2,0,0,0,0,0|2,0,0]=4 3128 B5R0.5 O=C(O)C(O)O Amb6608986 [2,0,0,0,0,0|1,1,0]=4 3129 B5R0.5 O=C(O)[C@@H](F)Cl Amb26559563 [2,0,0,0,0,0|2,0,0]=4 3130 B5R0.5 O=C(O)[C@@H](F)I Amb27827825 [2,0,0,0,0,0|2,0,0]=4 3131 B5R0.5 O=C(O)[C@H](F)Br Amb28200717 [2,0,0,0,0,0|2,0,0]=4 3132 B7R0.2 C=C(C)CC(C)C=O Amb18641711 [1,1,0,0,0,0|2,0,0]=4 3133 B7R0.2 C=C(C)CC(N)CO Amb24665584 [1,1,0,0,0,0|1,0,1]=4 3134 B7R0.2 C=C(C)C[C@H](N)CO Amb27633094 [1,1,0,0,0,0|1,0,1]=4 3135 B7R0.2 C=CC(N)CC(C)C Amb25743094 [1,1,0,0,0,0|2,0,0]=4 3136 B7R0.2 C=CC(N)CN(C)C Amb27224710 [1,1,0,0,0,0|2,0,0]=4 3137 B7R0.2 C=C[C@H](N)CC(C)C Amb27202733 [1,1,0,0,0,0|2,0,0]=4 3138 B7R0.2 CC(=O)CC(N)CO Amb27240210 [1,1,0,0,0,0|1,0,1]=4 3139 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [1,1,0,0,0,0|2,0,0]=4 3140 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [1,1,0,0,0,0|2,0,0]=4 3141 B7R0.2 CC(C)CC(C)C=O Amb18641813 [1,1,0,0,0,0|2,0,0]=4 3142 B7R0.2 CC(C)CC(N)CO Amb18015118 [1,1,0,0,0,0|1,0,1]=4 3143 B7R0.2 CC(C)CC(O)C=O Amb27250174 [1,1,0,0,0,0|2,0,0]=4 3144 B7R0.2 CC(C)C[C@@H](C)C=O Amb27164638 [1,1,0,0,0,0|2,0,0]=4 3145 B7R0.2 CC(C)C[C@@H](N)CO Amb22746869 [1,1,0,0,0,0|1,0,1]=4 3146 B7R0.2 CC(C)C[C@@H](N)CO Amb3939340 [1,1,0,0,0,0|1,0,1]=4 3147 B7R0.2 CC(C)C[C@H](N)C=O Amb26851754 [1,1,0,0,0,0|1,0,0]=3 3148 B7R0.2 CC(C)C[C@H](N)CO Amb22504556 [1,1,0,0,0,0|1,0,1]=4 3149 B7R0.2 CC(C)C[C@H](N)CO Amb3940063 [1,1,0,0,0,0|1,0,1]=4 3150 B7R0.2 CN(C)CC(N)CO Amb25742525 [1,1,0,0,0,0|1,0,1]=4 3151 B7R0.2 CN(C)CC(N)CO Amb28934849 [1,1,0,0,0,0|1,0,1]=4 3152 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [1,1,0,0,0,0|2,0,0]=4 3153 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [1,1,0,0,0,0|2,0,0]=4 3154 B7R0.3 C#CC(N)CCSC Amb27850266 [1,1,0,0,0,0|1,0,1]=4 3155 B7R0.3 C=CC(N)CCSC Amb28316202 [1,1,0,0,0,0|1,0,0]=3 3156 B7R0.3 C=CC(N)COCC Amb27248147 [1,1,0,0,0,0|1,1,0]=4 3157 B7R0.3 C=CC(N)CSCC Amb27648478 [1,1,0,0,0,0|1,0,0]=3 3158 B7R0.3 C=CC(O)CCSC Amb28123529 [1,1,0,0,0,0|2,0,0]=4 3159 B7R0.3 C=CC(O)CSCC Amb24543994 [1,1,0,0,0,0|2,0,0]=4 3160 B7R0.3 C=C[C@@H](N)CCCC Amb27477524 [1,1,0,0,0,0|2,0,0]=4 3161 B7R0.3 CC#CCC(N)CO Amb26475841 [1,1,0,0,0,0|1,0,1]=4 3162 B7R0.3 CC#CC[C@H](N)CO Amb27493024 [1,1,0,0,0,0|1,0,1]=4 3163 B7R0.3 CC(C=O)CCCBr Amb26526795 [1,1,0,0,0,0|2,0,0]=4 3164 B7R0.3 CC(C=O)CSC#N Amb28239431 [1,1,0,0,0,0|1,0,1]=4 3165 B7R0.3 CCC(N)CCSC Amb28048993 [1,1,0,0,0,0|1,0,1]=4 3166 B7R0.3 CCCCC(Br)C=O Amb17594581 [1,1,0,0,0,0|2,0,0]=4 3167 B7R0.3 CCCCC(C)C=O Amb17593191 [1,1,0,0,0,0|2,0,0]=4 3168 B7R0.3 CCCCC(F)C=O Amb27838938 [1,1,0,0,0,0|2,0,0]=4 3169 B7R0.3 CCCCC(N)C=O Amb28422291 [1,1,0,0,0,0|1,0,0]=3 3170 B7R0.3 CCCCC(N)CO Amb3939373 [1,1,0,0,0,0|1,0,1]=4 3171 B7R0.3 CCCC[C@@H](N)CO Amb8517438 [1,1,0,0,0,0|1,0,1]=4 3172 B7R0.3 CCCC[C@H](C)C=O Amb26587628 [1,1,0,0,0,0|2,0,0]=4 3173 B7R0.3 CCCC[C@H](N)CO Amb3941478 [1,1,0,0,0,0|1,0,1]=4 3174 B7R0.3 CCCSC(C)C=O Amb18124367 [1,1,0,0,0,0|2,0,0]=4 3175 B7R0.3 CCOCC(N)CO Amb25890491 [1,1,0,0,0,0|0,1,1]=4 3176 B7R0.3 CCOCC(N)CO Amb32666301 [1,1,0,0,0,0|0,1,1]=4 3177 B7R0.3 CCOCC(O)C=O Amb27883256 [1,1,0,0,0,0|1,1,0]=4 3178 B7R0.3 CCOC[C@@H](N)CO Amb27838360 [1,1,0,0,0,0|0,1,1]=4 3179 B7R0.3 CCOC[C@@H](N)CO Amb32653631 [1,1,0,0,0,0|0,1,1]=4 3180 B7R0.3 CCSCC(C)C=O Amb27592961 [1,1,0,0,0,0|1,0,0]=3 3181 B7R0.3 CCSCC(N)CC Amb17485958 [1,1,0,0,0,0|1,0,1]=4 3182 B7R0.3 CCSCC(N)CO Amb18643038 [1,1,0,0,0,0|0,0,1]=3 3183 B7R0.3 CCSCC(O)CO Amb4019001 [1,1,0,0,0,0|1,0,1]=4 3184 B7R0.3 CCSC[C@@H](N)CO Amb26504944 [1,1,0,0,0,0|0,0,1]=3 3185 B7R0.3 CCSC[C@H](N)CC Amb27987520 [1,1,0,0,0,0|1,0,1]=4 3186 B7R0.3 CCSC[C@H](N)CO Amb26564857 [1,1,0,0,0,0|0,0,1]=3 3187 B7R0.3 CCSC\C(N)=N\O Amb6680779 [1,1,0,0,0,0|1,0,1]=4 3188 B7R0.3 COCCC(C)C=O Amb26896518 [1,1,0,0,0,0|1,1,0]=4 3189 B7R0.3 COCCC(N)C=O Amb28397866 [1,1,0,0,0,0|0,1,0]=3 3190 B7R0.3 COCCC(N)CO Amb32952892 [1,1,0,0,0,0|0,1,1]=4 3191 B7R0.3 COCCC(N)CO Amb33532817 [1,1,0,0,0,0|0,1,1]=4 3192 B7R0.3 COCC[C@@H](C)C=O Amb28351588 [1,1,0,0,0,0|1,1,0]=4 3193 B7R0.3 COCC[C@@H](N)CO Amb33377807 [1,1,0,0,0,0|0,1,1]=4 3194 B7R0.3 COCC[C@H](N)CO Amb25937729 [1,1,0,0,0,0|0,1,1]=4 3195 B7R0.3 COCC\C(N)=C\O Amb28364926 [1,1,0,0,0,0|0,1,1]=4 3196 B7R0.3 COCO[C@@H](C)C=O Amb28422010 [1,1,0,0,0,0|1,1,0]=4 3197 B7R0.3 CSCCC(C)C=O Amb26624792 [1,1,0,0,0,0|1,0,0]=3 3198 B7R0.3 CSCCC(N)CN Amb19003937 [1,1,0,0,0,0|1,0,1]=4 3199 B7R0.3 CSCCC(N)CN Amb33291358 [1,1,0,0,0,0|1,0,1]=4 3200 B7R0.3 CSCCC(N)CO Amb4036829 [1,1,0,0,0,0|0,0,1]=3 3201 B7R0.3 CSCCC(O)CO Amb26019209 [1,1,0,0,0,0|1,0,1]=4 3202 B7R0.3 CSCC[C@@H](N)CO Amb8516106 [1,1,0,0,0,0|0,0,1]=3 3203 B7R0.3 CSCC[C@H](N)CN Amb26023438 [1,1,0,0,0,0|1,0,1]=4 3204 B7R0.3 CSCC[C@H](N)CO Amb2720562 [1,1,0,0,0,0|0,0,1]=3 3205 B7R0.3 CSCC\C(N)=N\O Amb25127504 [1,1,0,0,0,0|1,0,1]=4 3206 B7R0.3 CSSCC(C)CO Amb27166642 [1,1,0,0,0,0|1,0,1]=4 3207 B7R0.3 C\C=C\CC(C)C=O Amb17593164 [1,1,0,0,0,0|2,0,0]=4 3208 B7R0.3 C\C=C\CC(N)CO Amb24625761 [1,1,0,0,0,0|1,0,1]=4 3209 B7R0.3 C\C=C\CC(N)CO Amb30585118 [1,1,0,0,0,0|1,0,1]=4 3210 B7R0.3 C\C=C\C[C@H](C)C=O Amb27403477 [1,1,0,0,0,0|2,0,0]=4 3211 B7R0.3 NC(CO)CCCF Amb28069002 [1,1,0,0,0,0|1,0,1]=4 3212 B7R0.3 NC(CO)CCCO Amb18641979 [1,1,0,0,0,0|1,0,1]=4 3213 B7R0.3 NCCCC(N)CO Amb27665423 [1,1,0,0,0,0|1,0,1]=4 3214 B7R0.3 NCCC[C@H](N)C=O Amb27838296 [1,1,0,0,0,0|1,0,0]=3 3215 B7R0.3 N[C@@H](CO)CCCO Amb28254525 [1,1,0,0,0,0|1,0,1]=4 3216 B7R0.3 N[C@H](CO)CCCO Amb24117047 [1,1,0,0,0,0|1,0,1]=4 3217 B7R0.3 O=CC(Cl)CCCO Amb27831369 [1,1,0,0,0,0|2,0,0]=4 3218 B7R0.3 O=C[C@H](O)CCCO Amb27164637 [1,1,0,0,0,0|2,0,0]=4 3219 B7R0.7 C=CCC(N)COC Amb19018008 [1,1,0,0,0,0|1,1,0]=4 3220 B7R0.7 C=CCC(O)CSC Amb27463975 [1,1,0,0,0,0|2,0,0]=4 3221 B7R0.7 C=CC[C@@H](N)COC Amb28128126 [1,1,0,0,0,0|1,1,0]=4 3222 B7R0.7 C=CC[C@H](N)COC Amb27851131 [1,1,0,0,0,0|1,1,0]=4 3223 B7R0.7 CCCC(Br)\C=C\O Amb28458444 [1,1,0,0,0,0|2,0,0]=4 3224 B7R0.7 CCCC(C)NC=O Amb27236942 [1,1,0,0,0,0|2,0,0]=4 3225 B7R0.7 CCCC(C)\C=N\O Amb28247268 [1,1,0,0,0,0|2,0,0]=4 3226 B7R0.7 CCCC(N)CCO Amb22050841 [1,1,0,0,0,0|1,0,1]=4 3227 B7R0.7 CCCC(N)CSC Amb18313615 [1,1,0,0,0,0|1,0,1]=4 3228 B7R0.7 CCCC(S)CC=O Amb24481552 [1,1,0,0,0,0|2,0,0]=4 3229 B7R0.7 CCC[C@@H](C)CC=O Amb27393066 [1,1,0,0,0,0|2,0,0]=4 3230 B7R0.7 CCC[C@@H](N)CCO Amb22746035 [1,1,0,0,0,0|1,0,1]=4 3231 B7R0.7 CCC[C@H](N)CCO Amb25889377 [1,1,0,0,0,0|1,0,1]=4 3232 B7R0.7 CCC[C@H](N)CCO Amb32409602 [1,1,0,0,0,0|1,0,1]=4 3233 B7R0.7 CCC[C@H](N)COC Amb28316177 [1,1,0,0,0,0|1,0,1]=4 3234 B7R0.7 CCC[C@H](N)CSC Amb28206579 [1,1,0,0,0,0|1,0,1]=4 3235 B7R0.7 COCC(C)NC=O Amb27838341 [1,1,0,0,0,0|1,1,0]=4 3236 B7R0.7 COCC(N)CCO Amb19338150 [1,1,0,0,0,0|0,1,1]=4 3237 B7R0.7 COCC(N)COC Amb32662798 [1,1,0,0,0,0|0,1,1]=4 3238 B7R0.7 COCC(N)COC Amb33543407 [1,1,0,0,0,0|0,1,1]=4 3239 B7R0.7 COCC(N)CSC Amb28041040 [1,1,0,0,0,0|0,0,1]=3 3240 B7R0.7 COCC(O)CSC Amb27399113 [1,1,0,0,0,0|1,0,1]=4 3241 B7R0.7 COC[C@@H](N)CCO Amb27964057 [1,1,0,0,0,0|0,1,1]=4 3242 B7R0.7 CSCC(=O)\C=N\O Amb27487829 [1,1,0,0,0,0|1,0,1]=4 3243 B7R0.7 CSCC(C)CON Amb33271724 [1,1,0,0,0,0|1,0,1]=4 3244 B7R0.7 CSCC(C)N=C=O Amb24374153 [1,1,0,0,0,0|1,0,1]=4 3245 B7R0.7 CSCC(N)CCO Amb19515713 [1,1,0,0,0,0|0,0,1]=3 3246 B7R0.7 C\C=C\C(Cl)CSC Amb27657144 [1,1,0,0,0,0|2,0,0]=4 3247 B7R0.10 C=CC(Cl)C(C)SC Amb27231801 [1,1,0,0,0,0|2,0,0]=4 3248 B7R0.10 C=CC(N)C(C)CC Amb28132556 [1,1,0,0,0,0|2,0,0]=4 3249 B7R0.10 CCC(C)C(C)C=O Amb18641810 [1,1,0,0,0,0|2,0,0]=4 3250 B7R0.10 CCC(C)C(N)C=O Amb27257596 [1,1,0,0,0,0|1,0,0]=3 3251 B7R0.10 CCC(C)C(N)CO Amb19267092 [1,1,0,0,0,0|1,0,1]=4 3252 B7R0.10 CCC(C)C(N)CO Amb8385507 [1,1,0,0,0,0|1,0,1]=4 3253 B7R0.10 CCC(C)C(O)C=O Amb28454245 [1,1,0,0,0,0|2,0,0]=4 3254 B7R0.10 CCC(C)[C@@H](N)CO Amb18015117 [1,1,0,0,0,0|1,0,1]=4 3255 B7R0.10 CCC(C)[C@H](N)CO Amb5785530 [1,1,0,0,0,0|1,0,1]=4 3256 B7R0.10 CCC(F)C(N)CO Amb28421837 [1,1,0,0,0,0|1,0,1]=4 3257 B7R0.10 CCC(O)C(C)C=O Amb17593201 [1,1,0,0,0,0|2,0,0]=4 3258 B7R0.10 CC[C@@H](C)[C@@H](C)C=O Amb28184530 [1,1,0,0,0,0|2,0,0]=4 3259 B7R0.10 CC[C@@H](C)[C@@H](N)CO Amb17678825 [1,1,0,0,0,0|1,0,1]=4 3260 B7R0.10 CC[C@@H](C)[C@@H](N)CO Amb33871568 [1,1,0,0,0,0|1,0,1]=4 3261 B7R0.10 CC[C@@H](C)[C@H](N)CO Amb25081749 [1,1,0,0,0,0|1,0,1]=4 3262 B7R0.10 CC[C@@H](O)[C@@H](N)CO Amb25131931 [1,1,0,0,0,0|1,0,1]=4 3263 B7R0.10 CC[C@H](C)[C@@H](N)CO Amb27966960 [1,1,0,0,0,0|1,0,1]=4 3264 B7R0.10 CC[C@H](C)[C@H](N)C=O Amb28247667 [1,1,0,0,0,0|1,0,0]=3 3265 B7R0.10 CC[C@H](C)[C@H](N)CO Amb2785297 [1,1,0,0,0,0|1,0,1]=4 3266 B7R0.10 CC[C@H](C)[C@H](N)CO Amb30867664 [1,1,0,0,0,0|1,0,1]=4 3267 B7R0.10 COC(C)C(Br)C=O Amb28119865 [1,1,0,0,0,0|1,1,0]=4 3268 B7R0.10 CO[C@H](C)[C@H](N)CO Amb25221786 [1,1,0,0,0,0|0,1,1]=4 3269 B7R0.10 CSC(C)C(N)C#N Amb35655727 [1,1,0,0,0,0|1,0,1]=4 3270 B7R0.10 CSC(C)C(O)CO Amb27261506 [1,1,0,0,0,0|1,0,1]=4 3271 B7R0.11 CCCC(C)(C)C=O Amb18641809 [1,1,0,0,0,0|2,0,0]=4 3272 B7R0.11 CCCC(C)(N)CO Amb18971950 [1,1,0,0,0,0|1,0,1]=4 3273 B7R0.11 CCCC(Cl)(Cl)C=O Amb2720273 [1,1,0,0,0,0|2,0,0]=4 3274 B7R0.11 CCC[C@@](C)(N)CO Amb26415728 [1,1,0,0,0,0|1,0,1]=4 3275 B7R0.11 COCC(C)(C)C=O Amb18641883 [1,1,0,0,0,0|1,1,0]=4 3276 B7R0.11 COCC(C)(Cl)C=O Amb27794027 [1,1,0,0,0,0|1,1,0]=4 3277 B7R0.11 COCC(C)(N)CO Amb18299141 [1,1,0,0,0,0|0,1,1]=4 3278 B7R0.11 COCC(C)(N)CO Amb32655806 [1,1,0,0,0,0|0,1,1]=4 3279 B7R0.11 CSCC(C)(C)C=O Amb18642908 [1,1,0,0,0,0|1,0,0]=3 3280 B7R0.11 CSCC(C)(C)CO Amb24430385 [1,1,0,0,0,0|1,0,1]=4 3281 B7R0.11 CSCC(C)(N)C#N Amb18957582 [1,1,0,0,0,0|1,0,1]=4 3282 B7R0.11 CSCC(C)(N)C#N Amb28991393 [1,1,0,0,0,0|1,0,1]=4 3283 B7R0.11 CSCC(C)(N)CO Amb25703161 [1,1,0,0,0,0|0,0,1]=3 3284 B7R0.11 CSCC(F)(F)CO Amb33413026 [1,1,0,0,0,0|1,0,1]=4 3285 B7R0.11 CSSC(C)(C)C=O Amb8514922 [1,1,0,0,0,0|2,0,0]=4 3286 B7R0.12 C=CC(CCC)NN Amb28197763 [1,1,0,0,0,0|2,0,0]=4 3287 B7R0.12 CCC(CSC)NC Amb19032081 [1,1,0,0,0,0|1,0,1]=4 3288 B7R0.12 CCCC(C#N)C=O Amb27408303 [1,1,0,0,0,0|1,0,1]=4 3289 B7R0.12 CCCC(C=O)C=O Amb26644051 [1,1,0,0,0,0|2,0,0]=4 3290 B7R0.12 CCCC(C=O)OC Amb25290248 [1,1,0,0,0,0|2,0,0]=4 3291 B7R0.12 CCCC(CN)CO Amb26907962 [1,1,0,0,0,0|1,0,1]=4 3292 B7R0.12 CCC[C@@H](CN)CO Amb27949320 [1,1,0,0,0,0|1,0,1]=4 3293 B7R0.12 CCC[C@H](C=O)SC Amb28287171 [1,1,0,0,0,0|2,0,0]=4 3294 B7R0.12 CCC[C@H](CN)CO Amb28316219 [1,1,0,0,0,0|1,0,1]=4 3295 B7R0.12 CNC(CO)COC Amb27172954 [1,1,0,0,0,0|0,1,1]=4 3296 B7R0.12 CNC(CO)CSC Amb27830294 [1,1,0,0,0,0|0,0,1]=3 3297 B7R0.12 COCC(CN)CO Amb33428817 [1,1,0,0,0,0|0,1,1]=4 3298 B7R0.12 CSCC(CN)CO Amb33225383 [1,1,0,0,0,0|0,0,1]=3 3299 B7R0.12 C\C=C(\C=O)CSC Amb27972922 [1,1,0,0,0,0|1,0,1]=4 3300 B7R0.13 C#CC(C)(N)C(=O)O Amb23504061 [1,1,0,0,0,0|0,0,2]=4 3301 B7R0.13 C#C[C@](C)(N)C(=O)O Amb24406693 [1,1,0,0,0,0|0,0,2]=4 3302 B7R0.13 C=C(C)C(C)(N)CS Amb18642863 [1,1,0,0,0,0|2,0,0]=4 3303 B7R0.13 C=CC(C)(N)C(=O)O Amb18641826 [1,1,0,0,0,0|0,0,2]=4 3304 B7R0.13 C=C[C@@](C)(N)C(=O)O Amb25970753 [1,1,0,0,0,0|0,0,2]=4 3305 B7R0.13 CC(Br)(CBr)C(=O)O Amb9703187 [1,1,0,0,0,0|2,0,0]=4 3306 B7R0.13 CC(Br)(CCl)C(=O)O Amb28282621 [1,1,0,0,0,0|2,0,0]=4 3307 B7R0.13 CC(C)(CBr)C(=O)O Amb2613668 [1,1,0,0,0,0|2,0,0]=4 3308 B7R0.13 CC(C)(CCl)C(=O)O Amb3940361 [1,1,0,0,0,0|2,0,0]=4 3309 B7R0.13 CC(C)(CF)C(=O)O Amb22000679 [1,1,0,0,0,0|2,0,0]=4 3310 B7R0.13 CC(C)(CN)C(=O)O Amb22371031 [1,1,0,0,0,0|2,0,0]=4 3311 B7R0.13 CC(C)(CN)C(=O)O Amb8396020 [1,1,0,0,0,0|2,0,0]=4 3312 B7R0.13 CC(C)(CO)C(=O)O Amb2613656 [1,1,0,0,0,0|1,1,0]=4 3313 B7R0.13 CC(F)(CBr)C(=O)O Amb28121309 [1,1,0,0,0,0|2,0,0]=4 3314 B7R0.13 CC(F)(CN)C(=O)O Amb27794896 [1,1,0,0,0,0|2,0,0]=4 3315 B7R0.13 CC(N)(CF)C(=O)O Amb27435532 [1,1,0,0,0,0|1,0,0]=3 3316 B7R0.13 CC(N)(CN)C(=O)O Amb25310586 [1,1,0,0,0,0|1,0,0]=3 3317 B7R0.13 CC(N)(CN)C(=O)O Amb33550422 [1,1,0,0,0,0|1,0,0]=3 3318 B7R0.13 CC(N)(CO)C(=O)O Amb2780027 [1,1,0,0,0,0|0,1,0]=3 3319 B7R0.13 CC(N)(CO)C(=O)O Amb28934875 [1,1,0,0,0,0|0,1,0]=3 3320 B7R0.13 CC(N)(CO)C(N)=O Amb28381837 [1,1,0,0,0,0|1,1,0]=4 3321 B7R0.13 CC(N)(CS)C(=O)O Amb18124446 [1,1,0,0,0,0|0,0,0]=2 3322 B7R0.13 CC(N)(CS)C(=O)O Amb24480151 [1,1,0,0,0,0|0,0,0]=2 3323 B7R0.13 CC(O)(CBr)C(=O)O Amb18522184 [1,1,0,0,0,0|2,0,0]=4 3324 B7R0.13 CC(O)(CCl)C(=O)O Amb26497884 [1,1,0,0,0,0|2,0,0]=4 3325 B7R0.13 CC(O)(CO)C(=O)O Amb33544570 [1,1,0,0,0,0|1,1,0]=4 3326 B7R0.13 CCC(C)(Br)C(=O)O Amb22228657 [1,1,0,0,0,0|1,0,0]=3 3327 B7R0.13 CCC(C)(C)C(=O)Cl Amb8394880 [1,1,0,0,0,0|2,0,0]=4 3328 B7R0.13 CCC(C)(C)C(=O)O Amb4605833 [1,1,0,0,0,0|1,0,0]=3 3329 B7R0.13 CCC(C)(C)C(=O)S Amb22734427 [1,1,0,0,0,0|1,1,0]=4 3330 B7R0.13 CCC(C)(C)C(C)=O Amb2687561 [1,1,0,0,0,0|2,0,0]=4 3331 B7R0.13 CCC(C)(C)C(N)=O Amb3886539 [1,1,0,0,0,0|2,0,0]=4 3332 B7R0.13 CCC(C)(Cl)C(=O)O Amb25730682 [1,1,0,0,0,0|1,0,0]=3 3333 B7R0.13 CCC(C)(Cl)C(N)=O Amb28075797 [1,1,0,0,0,0|2,0,0]=4 3334 B7R0.13 CCC(C)(N)C(=O)O Amb28934789 [1,1,0,0,0,0|0,0,0]=2 3335 B7R0.13 CCC(C)(N)C(=O)O Amb9728371 [1,1,0,0,0,0|0,0,0]=2 3336 B7R0.13 CCC(C)(N)C(N)=O Amb13952193 [1,1,0,0,0,0|1,0,0]=3 3337 B7R0.13 CCC(C)(N)C(N)=O Amb18949646 [1,1,0,0,0,0|1,0,0]=3 3338 B7R0.13 CCC(C)(O)C(=O)Cl Amb28042052 [1,1,0,0,0,0|2,0,0]=4 3339 B7R0.13 CCC(C)(O)C(=O)O Amb2609046 [1,1,0,0,0,0|1,0,0]=3 3340 B7R0.13 CCC(C)(O)C(C)=O Amb17593200 [1,1,0,0,0,0|2,0,0]=4 3341 B7R0.13 CCC(C)(O)C(N)=O Amb24116738 [1,1,0,0,0,0|2,0,0]=4 3342 B7R0.13 CCC(Cl)(Cl)C(=O)O Amb25274946 [1,1,0,0,0,0|1,0,0]=3 3343 B7R0.13 CCC(F)(F)C(=O)O Amb10982488 [1,1,0,0,0,0|1,0,0]=3 3344 B7R0.13 CCC(F)(F)C(N)=O Amb24054261 [1,1,0,0,0,0|2,0,0]=4 3345 B7R0.13 CCC(N)(S)C(=O)O Amb27229859 [1,1,0,0,0,0|0,0,0]=2 3346 B7R0.13 CCC(O)(O)C(=O)O Amb28428544 [1,1,0,0,0,0|1,0,0]=3 3347 B7R0.13 CC[C@@](C)(Cl)C(=O)O Amb27391076 [1,1,0,0,0,0|1,0,0]=3 3348 B7R0.13 CC[C@@](C)(N)C(=O)O Amb8515205 [1,1,0,0,0,0|0,0,0]=2 3349 B7R0.13 CC[C@@](C)(O)C(C)=O Amb24481445 [1,1,0,0,0,0|2,0,0]=4 3350 B7R0.13 CC[C@](C)(N)C(=O)O Amb16183896 [1,1,0,0,0,0|0,0,0]=2 3351 B7R0.13 CC[C@](C)(N)C(=O)O Amb33871585 [1,1,0,0,0,0|0,0,0]=2 3352 B7R0.13 CC[C@](C)(N)C(N)=O Amb27838327 [1,1,0,0,0,0|1,0,0]=3 3353 B7R0.13 CC[C@](C)(O)C(C)=O Amb27860292 [1,1,0,0,0,0|2,0,0]=4 3354 B7R0.13 CC[C@](C)(O)C(N)=O Amb27258058 [1,1,0,0,0,0|2,0,0]=4 3355 B7R0.13 CC[C@](N)(O)C(=O)O Amb28398612 [1,1,0,0,0,0|0,0,0]=2 3356 B7R0.13 CNC(C)(C)C(=O)O Amb30625191 [1,1,0,0,0,0|2,0,0]=4 3357 B7R0.13 CNC(C)(C)C(=O)O Amb4037017 [1,1,0,0,0,0|2,0,0]=4 3358 B7R0.13 COC(C)(C)C(=O)O Amb7089070 [1,1,0,0,0,0|1,1,0]=4 3359 B7R0.13 CSC(C)(C)C(=O)O Amb17501488 [1,1,0,0,0,0|1,0,0]=3 3360 B7R0.13 CSC(Cl)(Cl)C(=O)O Amb27835442 [1,1,0,0,0,0|1,0,0]=3 3361 B7R0.13 CSC(F)(F)C(=O)O Amb23586472 [1,1,0,0,0,0|1,0,0]=3 3362 B7R0.13 CSC(F)(F)C(N)=O Amb27801193 [1,1,0,0,0,0|2,0,0]=4 3363 B7R0.13 C[C@@](F)(CN)C(=O)O Amb27880722 [1,1,0,0,0,0|2,0,0]=4 3364 B7R0.13 C[C@@](N)(CO)C(=O)O Amb8515082 [1,1,0,0,0,0|0,1,0]=3 3365 B7R0.13 C[C@@](N)(CS)C(=O)O Amb16183893 [1,1,0,0,0,0|0,0,0]=2 3366 B7R0.13 C[C@@](N)(CS)C(=O)O Amb22757501 [1,1,0,0,0,0|0,0,0]=2 3367 B7R0.13 C[C@@](N)(CS)C(N)=O Amb27843429 [1,1,0,0,0,0|1,0,0]=3 3368 B7R0.13 C[C@@](O)(CBr)C(=O)O Amb17610012 [1,1,0,0,0,0|2,0,0]=4 3369 B7R0.13 C[C@](N)(CN)C(=O)O Amb25690446 [1,1,0,0,0,0|1,0,0]=3 3370 B7R0.13 C[C@](N)(CO)C(=O)O Amb8515081 [1,1,0,0,0,0|0,1,0]=3 3371 B7R0.13 C[C@](O)(CBr)C(=O)O Amb22224875 [1,1,0,0,0,0|2,0,0]=4 3372 B7R0.13 C[C@](O)(CN)C(=O)O Amb27440648 [1,1,0,0,0,0|2,0,0]=4 3373 B7R0.13 C[C@](S)(CN)C(=O)O Amb27489167 [1,1,0,0,0,0|2,0,0]=4 3374 B7R0.13 NC(N)(CS)C(=O)O Amb24746383 [1,1,0,0,0,0|0,0,0]=2 3375 B7R0.13 NCC(F)(F)C(=O)O Amb19888004 [1,1,0,0,0,0|2,0,0]=4 3376 B7R0.13 NCC(F)(F)C(=O)O Amb2697603 [1,1,0,0,0,0|2,0,0]=4 3377 B7R0.13 O=C(O)C(Cl)(Cl)CCl Amb22731239 [1,1,0,0,0,0|2,0,0]=4 3378 B7R0.13 O=C(O)C(Cl)(Cl)CO Amb27409099 [1,1,0,0,0,0|1,1,0]=4 3379 B7R0.13 O=C(O)C(F)(Cl)CBr Amb27830396 [1,1,0,0,0,0|2,0,0]=4 3380 B7R0.13 O=C(O)C(F)(F)CBr Amb27455617 [1,1,0,0,0,0|2,0,0]=4 3381 B7R0.13 O=C(O)C(F)(F)CF Amb25711017 [1,1,0,0,0,0|2,0,0]=4 3382 B7R0.13 O=C(O)C(F)(F)CO Amb17593305 [1,1,0,0,0,0|1,1,0]=4 3383 B7R0.13 O=C(O)C(F)(F)CS Amb33171136 [1,1,0,0,0,0|1,0,0]=3 3384 B7R0.14 CCC(C)S(=O)(=O)O Amb22372234 [1,1,0,0,0,0|2,0,0]=4 3385 B7R0.14 CCC(Cl)P(=O)(O)O Amb27657245 [1,1,0,0,0,0|2,0,0]=4 3386 B7R0.14 CCC(N)C(C)(C)O Amb18198391 [1,1,0,0,0,0|1,0,1]=4 3387 B7R0.14 CCC(N)C(C)(C)O Amb28934865 [1,1,0,0,0,0|1,0,1]=4 3388 B7R0.14 CCC(N)P(C)(=O)O Amb27390481 [1,1,0,0,0,0|1,0,0]=3 3389 B7R0.14 CCC(O)P(=O)(O)O Amb24354457 [1,1,0,0,0,0|2,0,0]=4 3390 B7R0.14 CCC(O)S(=O)(=O)O Amb35753165 [1,1,0,0,0,0|2,0,0]=4 3391 B7R0.14 CC[C@@H](N)P(=O)(O)O Amb8516010 [1,1,0,0,0,0|1,0,0]=3 3392 B7R0.14 CC[C@H](N)P(=O)(O)O Amb8517200 [1,1,0,0,0,0|1,0,0]=3 3393 B7R0.14 CP(=O)(O)C(N)CO Amb25809584 [1,1,0,0,0,0|1,1,0]=4 3394 B7R0.14 NC(CCl)P(=O)(O)O Amb27410198 [1,1,0,0,0,0|2,0,0]=4 3395 B7R0.14 NCC(N)P(=O)(O)O Amb27839530 [1,1,0,0,0,0|2,0,0]=4 3396 B7R0.14 N[C@H](CCl)P(=O)(O)O Amb27590220 [1,1,0,0,0,0|2,0,0]=4 3397 B7R0.15 C=C(C)C(CC)NC Amb27400414 [1,1,0,0,0,0|2,0,0]=4 3398 B7R0.15 C=C(C)C(CC)NN Amb28316204 [1,1,0,0,0,0|2,0,0]=4 3399 B7R0.15 C=CC(CC)C(=O)O Amb28119400 [1,1,0,0,0,0|1,0,0]=3 3400 B7R0.15 C=CC(CC)C(C)=O Amb28315864 [1,1,0,0,0,0|2,0,0]=4 3401 B7R0.15 CC(=O)C(CN)CN Amb28206451 [1,1,0,0,0,0|2,0,0]=4 3402 B7R0.15 CCC(C#N)C(=O)O Amb17210513 [1,1,0,0,0,0|0,0,1]=3 3403 B7R0.15 CCC(C#N)C(C)=O Amb9535904 [1,1,0,0,0,0|1,0,1]=4 3404 B7R0.15 CCC(C#N)C(N)=O Amb27797961 [1,1,0,0,0,0|1,0,1]=4 3405 B7R0.15 CCC(C=O)C(=O)O Amb28410235 [1,1,0,0,0,0|1,0,0]=3 3406 B7R0.15 CCC(CC)C(=O)Cl Amb3939475 [1,1,0,0,0,0|2,0,0]=4 3407 B7R0.15 CCC(CC)C(=O)O Amb4605826 [1,1,0,0,0,0|1,0,0]=3 3408 B7R0.15 CCC(CC)C(=O)[O-] Amb22585838 [1,1,0,0,0,0|1,0,1]=4 3409 B7R0.15 CCC(CC)C(C)=O Amb33536259 [1,1,0,0,0,0|2,0,0]=4 3410 B7R0.15 CCC(CC)C(N)=O Amb33550498 [1,1,0,0,0,0|2,0,0]=4 3411 B7R0.15 CCC(CCl)C(=O)Cl Amb28421936 [1,1,0,0,0,0|2,0,0]=4 3412 B7R0.15 CCC(CCl)C(=O)O Amb27424156 [1,1,0,0,0,0|1,0,0]=3 3413 B7R0.15 CCC(CF)C(=O)O Amb27625346 [1,1,0,0,0,0|1,0,0]=3 3414 B7R0.15 CCC(CN)C(=O)O Amb18987934 [1,1,0,0,0,0|0,0,0]=2 3415 B7R0.15 CCC(CN)C(=O)O Amb19514932 [1,1,0,0,0,0|0,0,0]=2 3416 B7R0.15 CCC(CN)C(C)O Amb27985476 [1,1,0,0,0,0|1,0,1]=4 3417 B7R0.15 CCC(CN)C(N)=O Amb18294192 [1,1,0,0,0,0|1,0,0]=3 3418 B7R0.15 CCC(CO)C(=O)O Amb18641947 [1,1,0,0,0,0|1,0,0]=3 3419 B7R0.15 CCC(CO)C(=O)[O-] Amb28934895 [1,1,0,0,0,0|1,0,1]=4 3420 B7R0.15 CCC(CO)C(N)=O Amb28314312 [1,1,0,0,0,0|2,0,0]=4 3421 B7R0.15 CCC(NC)C(=O)O Amb10610245 [1,1,0,0,0,0|0,0,0]=2 3422 B7R0.15 CCC(NC)C(=O)O Amb9619833 [1,1,0,0,0,0|0,0,0]=2 3423 B7R0.15 CCC(NC)C(C)=O Amb28049011 [1,1,0,0,0,0|1,0,0]=3 3424 B7R0.15 CCC(NC)C(C)O Amb27253936 [1,1,0,0,0,0|1,0,1]=4 3425 B7R0.15 CCC(NC)C(N)=O Amb15701261 [1,1,0,0,0,0|1,0,0]=3 3426 B7R0.15 CCC(NCl)C(=O)O Amb28387574 [1,1,0,0,0,0|0,0,0]=2 3427 B7R0.15 CCC(NN)C(=O)O Amb18641955 [1,1,0,0,0,0|0,0,0]=2 3428 B7R0.15 CCC(NO)C(=O)O Amb4019788 [1,1,0,0,0,0|0,0,0]=2 3429 B7R0.15 CCC(OC)C(=O)O Amb8472685 [1,1,0,0,0,0|1,0,0]=3 3430 B7R0.15 CCC(OC)C(C)=O Amb26004835 [1,1,0,0,0,0|2,0,0]=4 3431 B7R0.15 CCC(OC)C(N)=O Amb2027289 [1,1,0,0,0,0|2,0,0]=4 3432 B7R0.15 CCC(SC)C(=O)O Amb17501348 [1,1,0,0,0,0|1,0,0]=3 3433 B7R0.15 CCC(SC)C(C)=O Amb28460748 [1,1,0,0,0,0|2,0,0]=4 3434 B7R0.15 CC[C@@H](CN)C(=O)O Amb27838297 [1,1,0,0,0,0|0,0,0]=2 3435 B7R0.15 CC[C@@H](CO)C(=O)O Amb22745321 [1,1,0,0,0,0|1,0,0]=3 3436 B7R0.15 CC[C@@H](NC)C(=O)O Amb28315876 [1,1,0,0,0,0|0,0,0]=2 3437 B7R0.15 CC[C@H](CN)C(=O)O Amb25790771 [1,1,0,0,0,0|0,0,0]=2 3438 B7R0.15 CC[C@H](CO)C(=O)O Amb16232065 [1,1,0,0,0,0|1,0,0]=3 3439 B7R0.15 CC[C@H](NC)C(=O)O Amb24505225 [1,1,0,0,0,0|0,0,0]=2 3440 B7R0.15 CC[C@H](NCl)C(=O)O Amb28193501 [1,1,0,0,0,0|0,0,0]=2 3441 B7R0.15 CC[C@H](NN)C(=O)O Amb28289412 [1,1,0,0,0,0|0,0,0]=2 3442 B7R0.15 CC[C@H](OC)C(C)=O Amb27243431 [1,1,0,0,0,0|2,0,0]=4 3443 B7R0.15 CNC(CN)C(=O)O Amb23515020 [1,1,0,0,0,0|1,0,0]=3 3444 B7R0.15 CNC(CN)C(=O)O Amb28934876 [1,1,0,0,0,0|1,0,0]=3 3445 B7R0.15 CNC(CO)C(=O)O Amb26068513 [1,1,0,0,0,0|0,1,0]=3 3446 B7R0.15 CNC(CO)C(N)=O Amb18641957 [1,1,0,0,0,0|1,1,0]=4 3447 B7R0.15 CNC(CS)C(=O)O Amb2781760 [1,1,0,0,0,0|0,0,0]=2 3448 B7R0.15 CN[C@@H](CO)C(=O)O Amb16183860 [1,1,0,0,0,0|0,1,0]=3 3449 B7R0.15 CN[C@@H](CO)C(C)=O Amb26476298 [1,1,0,0,0,0|1,1,0]=4 3450 B7R0.15 CN[C@@H](CS)C(=O)O Amb27630049 [1,1,0,0,0,0|0,0,0]=2 3451 B7R0.15 CN[C@@H](CS)C(=O)O Amb33875997 [1,1,0,0,0,0|0,0,0]=2 3452 B7R0.15 CN[C@H](CO)C(=O)O Amb26948665 [1,1,0,0,0,0|0,1,0]=3 3453 B7R0.15 COC(CN)C(=O)O Amb22059584 [1,1,0,0,0,0|0,1,0]=3 3454 B7R0.15 COC(CN)C(=O)O Amb24271092 [1,1,0,0,0,0|0,1,0]=3 3455 B7R0.15 COC(OC)C(=O)O Amb26446254 [1,1,0,0,0,0|1,1,0]=4 3456 B7R0.15 CO[C@@H](CN)C(=O)O Amb32679591 [1,1,0,0,0,0|0,1,0]=3 3457 B7R0.15 CO[C@@H](CN)C(=O)O Amb32679853 [1,1,0,0,0,0|0,1,0]=3 3458 B7R0.15 CO[C@@H](CO)C(=O)O Amb27409917 [1,1,0,0,0,0|1,1,0]=4 3459 B7R0.15 CSC(C=O)C(=O)O Amb27399075 [1,1,0,0,0,0|1,0,0]=3 3460 B7R0.15 CSC(CCl)C(=O)O Amb24526774 [1,1,0,0,0,0|1,0,0]=3 3461 B7R0.15 CSC(CN)C(=O)O Amb28346880 [1,1,0,0,0,0|0,0,0]=2 3462 B7R0.15 CSC(SC)C(=O)O Amb28245282 [1,1,0,0,0,0|1,0,0]=3 3463 B7R0.15 C\C=C(/CC)C(=O)O Amb18641780 [1,1,0,0,0,0|1,0,1]=4 3464 B7R0.15 C\N=C(/NC)C(=O)O Amb28349086 [1,1,0,0,0,0|1,0,1]=4 3465 B7R0.15 N#CC(CO)C(=O)O Amb27246245 [1,1,0,0,0,0|0,1,1]=4 3466 B7R0.15 NCC(CF)C(=O)O Amb26995116 [1,1,0,0,0,0|1,0,0]=3 3467 B7R0.15 NC[C@H](CO)C(=O)O Amb26873333 [1,1,0,0,0,0|0,1,0]=3 3468 B7R0.15 NNC(CO)C(=O)O Amb27595622 [1,1,0,0,0,0|0,1,0]=3 3469 B7R0.15 NNC(CS)C(=O)O Amb24117863 [1,1,0,0,0,0|0,0,0]=2 3470 B7R0.15 NNC(CS)C(=O)O Amb27834344 [1,1,0,0,0,0|0,0,0]=2 3471 B7R0.15 NOC(CO)C(=O)O Amb27173883 [1,1,0,0,0,0|0,1,0]=3 3472 B7R0.15 O=C(O)C(CBr)CBr Amb2778682 [1,1,0,0,0,0|2,0,0]=4 3473 B7R0.15 O=C(O)C(CI)CI Amb17779784 [1,1,0,0,0,0|2,0,0]=4 3474 B7R0.15 O=C(O)C(CO)NCl Amb28120918 [1,1,0,0,0,0|0,1,0]=3 3475 B7R0.15 O=C(O)C(CS)CS Amb26600542 [1,1,0,0,0,0|1,0,0]=3 3476 B7R0.15 O=C(O)[C@H](CS)NS Amb27750416 [1,1,0,0,0,0|0,0,0]=2 3477 B7R0.16 C=C(Br)C(N)C(=O)O Amb28193255 [1,1,0,0,0,0|0,0,2]=4 3478 B7R0.16 C=C(C(=O)O)C(C)C Amb17593189 [1,1,0,0,0,0|1,0,1]=4 3479 B7R0.16 C=C(C(=O)O)C(C)N Amb27794714 [1,1,0,0,0,0|1,0,1]=4 3480 B7R0.16 C=C(C(=O)O)[C@@H](C)N Amb27440248 [1,1,0,0,0,0|1,0,1]=4 3481 B7R0.16 C=C(C(=O)O)[C@H](C)O Amb27410183 [1,1,0,0,0,0|1,0,1]=4 3482 B7R0.16 C=C(C)C(C)C(=O)O Amb18641781 [1,1,0,0,0,0|1,0,1]=4 3483 B7R0.16 C=C(C)C(N)C(=C)O Amb27762325 [1,1,0,0,0,0|1,0,1]=4 3484 B7R0.16 C=C(C)C(N)C(=O)O Amb18641831 [1,1,0,0,0,0|0,0,1]=3 3485 B7R0.16 C=C(C)C(N)C(C)C Amb18641748 [1,1,0,0,0,0|2,0,0]=4 3486 B7R0.16 C=C(C)C(O)C(=O)O Amb27859701 [1,1,0,0,0,0|1,0,1]=4 3487 B7R0.16 C=C(C)[C@@H](N)C(=O)O Amb26012631 [1,1,0,0,0,0|0,0,1]=3 3488 B7R0.16 C=C(C)[C@@H](O)C(=O)O Amb28071409 [1,1,0,0,0,0|1,0,1]=4 3489 B7R0.16 CC(=O)C(Br)C(C)C Amb2389580 [1,1,0,0,0,0|2,0,0]=4 3490 B7R0.16 CC(=O)C(Br)C(C)Cl Amb27791473 [1,1,0,0,0,0|2,0,0]=4 3491 B7R0.16 CC(=O)C(C)C(C)O Amb17593202 [1,1,0,0,0,0|2,0,0]=4 3492 B7R0.16 CC(=O)C(C)[C@@H](C)O Amb28316228 [1,1,0,0,0,0|2,0,0]=4 3493 B7R0.16 CC(=O)C(Cl)C(C)C Amb24483197 [1,1,0,0,0,0|2,0,0]=4 3494 B7R0.16 CC(=O)C(F)C(C)O Amb28437134 [1,1,0,0,0,0|2,0,0]=4 3495 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [1,1,0,0,0,0|0,0,1]=3 3496 B7R0.16 CC(=O)C(N)C(C)=O Amb18632931 [1,1,0,0,0,0|1,0,1]=4 3497 B7R0.16 CC(=O)C(N)C(C)=O Amb6893881 [1,1,0,0,0,0|1,0,1]=4 3498 B7R0.16 CC(=O)C(N)C(C)C Amb23536905 [1,1,0,0,0,0|1,0,0]=3 3499 B7R0.16 CC(=O)C(O)C(C)C Amb25087800 [1,1,0,0,0,0|2,0,0]=4 3500 B7R0.16 CC(=O)C(O)C(C)O Amb26597030 [1,1,0,0,0,0|2,0,0]=4 3501 B7R0.16 CC(=O)C(S)C(C)C Amb28254219 [1,1,0,0,0,0|2,0,0]=4 3502 B7R0.16 CC(=O)N(N)C(C)C Amb18641904 [1,1,0,0,0,0|2,0,0]=4 3503 B7R0.16 CC(=O)[C@@H](C)[C@@H](C)Cl Amb28325873 [1,1,0,0,0,0|2,0,0]=4 3504 B7R0.16 CC(=O)[C@@H](C)[C@H](C)O Amb26966954 [1,1,0,0,0,0|2,0,0]=4 3505 B7R0.16 CC(=O)[C@@H](N)C(C)C Amb28410324 [1,1,0,0,0,0|1,0,0]=3 3506 B7R0.16 CC(=O)[C@@H](O)[C@@H](C)O Amb24481484 [1,1,0,0,0,0|2,0,0]=4 3507 B7R0.16 CC(=O)[C@@H](O)[C@H](C)O Amb28045145 [1,1,0,0,0,0|2,0,0]=4 3508 B7R0.16 CC(=O)[C@H](C)C(C)C Amb24753185 [1,1,0,0,0,0|2,0,0]=4 3509 B7R0.16 CC(=O)[C@H](C)[C@H](C)O Amb28249967 [1,1,0,0,0,0|2,0,0]=4 3510 B7R0.16 CC(=O)[C@H](O)C(C)C Amb24379445 [1,1,0,0,0,0|2,0,0]=4 3511 B7R0.16 CC(=O)[C@H](O)[C@@H](C)O Amb24701454 [1,1,0,0,0,0|2,0,0]=4 3512 B7R0.16 CC(=S)C(S)C(=O)O Amb27791825 [1,1,0,0,0,0|1,0,1]=4 3513 B7R0.16 CC(Br)C(=O)C(=O)O Amb23400913 [1,1,0,0,0,0|1,0,1]=4 3514 B7R0.16 CC(Br)C(Br)C(=O)Cl Amb27482606 [1,1,0,0,0,0|2,0,0]=4 3515 B7R0.16 CC(Br)C(Br)C(=O)O Amb4008645 [1,1,0,0,0,0|1,0,0]=3 3516 B7R0.16 CC(C(=O)O)N(C)C Amb21955631 [1,1,0,0,0,0|2,0,0]=4 3517 B7R0.16 CC(C(=O)O)N(C)C Amb6653762 [1,1,0,0,0,0|2,0,0]=4 3518 B7R0.16 CC(C(=O)O)N(C)N Amb22372039 [1,1,0,0,0,0|2,0,0]=4 3519 B7R0.16 CC(C(=O)[O-])[C@H](C)O Amb27835918 [1,1,0,0,0,0|1,0,1]=4 3520 B7R0.16 CC(C)C(=N)C(=O)O Amb28073845 [1,1,0,0,0,0|0,0,2]=4 3521 B7R0.16 CC(C)C(=O)C(=O)O Amb6600000 [1,1,0,0,0,0|1,0,1]=4 3522 B7R0.16 CC(C)C(Br)C(=O)Cl Amb17569838 [1,1,0,0,0,0|2,0,0]=4 3523 B7R0.16 CC(C)C(Br)C(=O)O Amb9703217 [1,1,0,0,0,0|1,0,0]=3 3524 B7R0.16 CC(C)C(Br)C(N)=O Amb9725771 [1,1,0,0,0,0|2,0,0]=4 3525 B7R0.16 CC(C)C(C)C(=O)Cl Amb27645335 [1,1,0,0,0,0|2,0,0]=4 3526 B7R0.16 CC(C)C(C)C(=O)O Amb17087469 [1,1,0,0,0,0|1,0,0]=3 3527 B7R0.16 CC(C)C(Cl)C(=O)Cl Amb24483174 [1,1,0,0,0,0|2,0,0]=4 3528 B7R0.16 CC(C)C(Cl)C(=O)O Amb6739911 [1,1,0,0,0,0|1,0,0]=3 3529 B7R0.16 CC(C)C(F)C(=O)O Amb19957386 [1,1,0,0,0,0|1,0,0]=3 3530 B7R0.16 CC(C)C(N)B(O)O Amb24482349 [1,1,0,0,0,0|1,0,1]=4 3531 B7R0.16 CC(C)C(N)C(=O)Cl Amb6740265 [1,1,0,0,0,0|1,0,0]=3 3532 B7R0.16 CC(C)C(N)C(=O)O Amb5718386 [1,1,0,0,0,0|0,0,0]=2 3533 B7R0.16 CC(C)C(N)C(C)O Amb18641932 [1,1,0,0,0,0|1,0,1]=4 3534 B7R0.16 CC(C)C(N)C(N)=O Amb19267095 [1,1,0,0,0,0|1,0,0]=3 3535 B7R0.16 CC(C)C(N)C(N)=O Amb32666402 [1,1,0,0,0,0|1,0,0]=3 3536 B7R0.16 CC(C)C(N)C(N)=O Amb6271181 [1,1,0,0,0,0|1,0,0]=3 3537 B7R0.16 CC(C)C(N)C(N)=S Amb19148044 [1,1,0,0,0,0|1,1,0]=4 3538 B7R0.16 CC(C)C(O)C(=O)Cl Amb27213311 [1,1,0,0,0,0|2,0,0]=4 3539 B7R0.16 CC(C)C(O)C(=O)O Amb2582547 [1,1,0,0,0,0|1,0,0]=3 3540 B7R0.16 CC(C)C(O)[PH](=O)O Amb27430184 [1,1,0,0,0,0|2,0,0]=4 3541 B7R0.16 CC(C)C(S)C(=O)O Amb18282761 [1,1,0,0,0,0|1,0,0]=3 3542 B7R0.16 CC(C)[C@@H](Br)C(=O)O Amb8629113 [1,1,0,0,0,0|1,0,0]=3 3543 B7R0.16 CC(C)[C@@H](C)C(=O)O Amb10844600 [1,1,0,0,0,0|1,0,0]=3 3544 B7R0.16 CC(C)[C@@H](C)C(N)=O Amb27838382 [1,1,0,0,0,0|2,0,0]=4 3545 B7R0.16 CC(C)[C@@H](Cl)C(=O)Cl Amb32658177 [1,1,0,0,0,0|2,0,0]=4 3546 B7R0.16 CC(C)[C@@H](N)C(=O)O Amb2720566 [1,1,0,0,0,0|0,0,0]=2 3547 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb22169898 [1,1,0,0,0,0|1,0,0]=3 3548 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb25132118 [1,1,0,0,0,0|1,0,0]=3 3549 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb4013551 [1,1,0,0,0,0|1,0,0]=3 3550 B7R0.16 CC(C)[C@@H](O)C(=O)O Amb10071589 [1,1,0,0,0,0|1,0,0]=3 3551 B7R0.16 CC(C)[C@@H](O)C(N)=O Amb27879443 [1,1,0,0,0,0|2,0,0]=4 3552 B7R0.16 CC(C)[C@H](Br)C(=O)O Amb8629114 [1,1,0,0,0,0|1,0,0]=3 3553 B7R0.16 CC(C)[C@H](C)C(=O)O Amb10844601 [1,1,0,0,0,0|1,0,0]=3 3554 B7R0.16 CC(C)[C@H](C)C(N)=O Amb28345619 [1,1,0,0,0,0|2,0,0]=4 3555 B7R0.16 CC(C)[C@H](Cl)C(=O)Cl Amb27407011 [1,1,0,0,0,0|2,0,0]=4 3556 B7R0.16 CC(C)[C@H](N)C(=O)O Amb2725465 [1,1,0,0,0,0|0,0,0]=2 3557 B7R0.16 CC(C)[C@H](N)C(C)O Amb35623965 [1,1,0,0,0,0|1,0,1]=4 3558 B7R0.16 CC(C)[C@H](N)C(N)=O Amb16183986 [1,1,0,0,0,0|1,0,0]=3 3559 B7R0.16 CC(C)[C@H](N)C(N)=O Amb16231400 [1,1,0,0,0,0|1,0,0]=3 3560 B7R0.16 CC(C)[C@H](N)C(N)=O Amb30595108 [1,1,0,0,0,0|1,0,0]=3 3561 B7R0.16 CC(C)[C@H](N)[C@H](C)O Amb27167748 [1,1,0,0,0,0|1,0,1]=4 3562 B7R0.16 CC(C)[C@H](N)[PH](=O)O Amb27814729 [1,1,0,0,0,0|1,0,0]=3 3563 B7R0.16 CC(C)[C@H](O)C(=O)O Amb2694861 [1,1,0,0,0,0|1,0,0]=3 3564 B7R0.16 CC(Cl)C(C)C(=O)O Amb28325096 [1,1,0,0,0,0|1,0,0]=3 3565 B7R0.16 CC(Cl)C(Cl)C(=O)Cl Amb27634873 [1,1,0,0,0,0|2,0,0]=4 3566 B7R0.16 CC(Cl)C(Cl)C(=O)O Amb28396619 [1,1,0,0,0,0|1,0,0]=3 3567 B7R0.16 CC(F)C(=O)C(=O)O Amb27246511 [1,1,0,0,0,0|1,0,1]=4 3568 B7R0.16 CC(F)C(N)C(=O)O Amb10838661 [1,1,0,0,0,0|0,0,0]=2 3569 B7R0.16 CC(F)C(N)C(=O)O Amb32752736 [1,1,0,0,0,0|0,0,0]=2 3570 B7R0.16 CC(F)C(N)C(N)=O Amb28250824 [1,1,0,0,0,0|1,0,0]=3 3571 B7R0.16 CC(F)[C@@H](N)C(=O)O Amb28316197 [1,1,0,0,0,0|0,0,0]=2 3572 B7R0.16 CC(N)C(C)C(=O)O Amb18124261 [1,1,0,0,0,0|1,0,0]=3 3573 B7R0.16 CC(N)C(C)C(=O)O Amb28934866 [1,1,0,0,0,0|1,0,0]=3 3574 B7R0.16 CC(N)C(C)C(N)=O Amb27172764 [1,1,0,0,0,0|2,0,0]=4 3575 B7R0.16 CC(N)C(F)C(=O)O Amb27411861 [1,1,0,0,0,0|1,0,0]=3 3576 B7R0.16 CC(N)C(N)C(=O)O Amb22728051 [1,1,0,0,0,0|0,0,0]=2 3577 B7R0.16 CC(N)C(O)C(=O)O Amb18641970 [1,1,0,0,0,0|1,0,0]=3 3578 B7R0.16 CC(N)C(O)C(=O)O Amb33299223 [1,1,0,0,0,0|1,0,0]=3 3579 B7R0.16 CC(N)C(O)C(N)=O Amb27483181 [1,1,0,0,0,0|2,0,0]=4 3580 B7R0.16 CC(N)[C@H](N)C(=O)O Amb25083113 [1,1,0,0,0,0|0,0,0]=2 3581 B7R0.16 CC(N)[C@H](N)C(=O)O Amb33740158 [1,1,0,0,0,0|0,0,0]=2 3582 B7R0.16 CC(O)C(=O)C(=O)O Amb24481396 [1,1,0,0,0,0|1,0,1]=4 3583 B7R0.16 CC(O)C(Br)C(=O)O Amb17594710 [1,1,0,0,0,0|1,0,0]=3 3584 B7R0.16 CC(O)C(C)C(=O)O Amb17615515 [1,1,0,0,0,0|1,0,0]=3 3585 B7R0.16 CC(O)C(Cl)C(=O)O Amb17593522 [1,1,0,0,0,0|1,0,0]=3 3586 B7R0.16 CC(O)C(F)C(=O)O Amb33544667 [1,1,0,0,0,0|1,0,0]=3 3587 B7R0.16 CC(O)C(N)C(=O)Cl Amb27830226 [1,1,0,0,0,0|1,0,0]=3 3588 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [1,1,0,0,0,0|0,0,0]=2 3589 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [1,1,0,0,0,0|0,0,0]=2 3590 B7R0.16 CC(O)C(N)C(N)=O Amb18641954 [1,1,0,0,0,0|1,0,0]=3 3591 B7R0.16 CC(O)C(N)C(N)=O Amb4006836 [1,1,0,0,0,0|1,0,0]=3 3592 B7R0.16 CC(O)C(O)C(=O)O Amb18124272 [1,1,0,0,0,0|1,0,0]=3 3593 B7R0.16 CC(O)[C@H](N)C(N)=O Amb27643319 [1,1,0,0,0,0|1,0,0]=3 3594 B7R0.16 CC(S)C(=O)C(=O)O Amb28128312 [1,1,0,0,0,0|1,0,1]=4 3595 B7R0.16 CC(S)C(N)C(=O)O Amb17593434 [1,1,0,0,0,0|0,0,0]=2 3596 B7R0.16 CC(S)[C@@H](N)C(=O)O Amb24606864 [1,1,0,0,0,0|0,0,0]=2 3597 B7R0.16 CN(C)C(O)C(=O)O Amb28399618 [1,1,0,0,0,0|2,0,0]=4 3598 B7R0.16 C[C@@H](C(=O)O)N(C)C Amb22587534 [1,1,0,0,0,0|2,0,0]=4 3599 B7R0.16 C[C@@H](C(=O)O)N(C)C Amb28934882 [1,1,0,0,0,0|2,0,0]=4 3600 B7R0.16 C[C@@H](Cl)[C@@H](Cl)C(=O)O Amb28343001 [1,1,0,0,0,0|1,0,0]=3 3601 B7R0.16 C[C@@H](Cl)[C@H](Cl)C(=O)O Amb28283911 [1,1,0,0,0,0|1,0,0]=3 3602 B7R0.16 C[C@@H](Cl)[C@H](Cl)C(N)=O Amb27607679 [1,1,0,0,0,0|2,0,0]=4 3603 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb28286576 [1,1,0,0,0,0|0,0,0]=2 3604 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb32668519 [1,1,0,0,0,0|0,0,0]=2 3605 B7R0.16 C[C@@H](N)[C@@H](C)C(=O)O Amb25679842 [1,1,0,0,0,0|1,0,0]=3 3606 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb22745441 [1,1,0,0,0,0|0,0,0]=2 3607 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb24481409 [1,1,0,0,0,0|0,0,0]=2 3608 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [1,1,0,0,0,0|0,0,0]=2 3609 B7R0.16 C[C@@H](O)[C@@H](Cl)C(=O)O Amb27489415 [1,1,0,0,0,0|1,0,0]=3 3610 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [1,1,0,0,0,0|0,0,0]=2 3611 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O Amb27812084 [1,1,0,0,0,0|1,0,0]=3 3612 B7R0.16 C[C@@H](O)[C@H](Cl)C(=O)O Amb27188843 [1,1,0,0,0,0|1,0,0]=3 3613 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [1,1,0,0,0,0|0,0,0]=2 3614 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [1,1,0,0,0,0|0,0,0]=2 3615 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [1,1,0,0,0,0|0,0,0]=2 3616 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O Amb17942942 [1,1,0,0,0,0|1,0,0]=3 3617 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O Amb24117242 [1,1,0,0,0,0|0,0,0]=2 3618 B7R0.16 C[C@H](C(=O)O)N(C)C Amb22586633 [1,1,0,0,0,0|2,0,0]=4 3619 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O Amb10844572 [1,1,0,0,0,0|1,0,0]=3 3620 B7R0.16 C[C@H](Cl)[C@H](Cl)C(=O)Cl Amb28384464 [1,1,0,0,0,0|2,0,0]=4 3621 B7R0.16 C[C@H](Cl)[C@H](Cl)C(=O)O Amb27955873 [1,1,0,0,0,0|1,0,0]=3 3622 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O Amb26887656 [1,1,0,0,0,0|1,0,0]=3 3623 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O Amb27751951 [1,1,0,0,0,0|1,0,0]=3 3624 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb17678797 [1,1,0,0,0,0|0,0,0]=2 3625 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb26887696 [1,1,0,0,0,0|0,0,0]=2 3626 B7R0.16 C[C@H](O)[C@@H](Br)C(=O)O Amb27476235 [1,1,0,0,0,0|1,0,0]=3 3627 B7R0.16 C[C@H](O)[C@@H](F)C(=O)O Amb27837922 [1,1,0,0,0,0|1,0,0]=3 3628 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [1,1,0,0,0,0|0,0,0]=2 3629 B7R0.16 C[C@H](O)[C@@H](O)C(=O)O Amb25844932 [1,1,0,0,0,0|1,0,0]=3 3630 B7R0.16 C[C@H](O)[C@H](Br)C(=O)O Amb27409077 [1,1,0,0,0,0|1,0,0]=3 3631 B7R0.16 C[C@H](O)[C@H](C)C(=O)O Amb27440373 [1,1,0,0,0,0|1,0,0]=3 3632 B7R0.16 C[C@H](O)[C@H](Cl)C(=O)O Amb27410667 [1,1,0,0,0,0|1,0,0]=3 3633 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [1,1,0,0,0,0|0,0,0]=2 3634 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [1,1,0,0,0,0|0,0,0]=2 3635 B7R0.16 C[C@H](O)[C@H](O)C(=O)O Amb27831803 [1,1,0,0,0,0|1,0,0]=3 3636 B7R0.16 C[PH](=O)C(O)C(=O)O Amb34916646 [1,1,0,0,0,0|2,0,0]=4 3637 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [1,1,0,0,0,0|0,0,2]=4 3638 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [1,1,0,0,0,0|0,1,1]=4 3639 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [1,1,0,0,0,0|0,1,1]=4 3640 B7R0.16 NC(C(=O)O)C(F)F Amb24713127 [1,1,0,0,0,0|1,0,0]=3 3641 B7R0.16 NC(C(=O)O)C(F)F Amb32644474 [1,1,0,0,0,0|1,0,0]=3 3642 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [1,1,0,0,0,0|1,0,1]=4 3643 B7R0.16 N[C@H](C(=O)O)C(O)O Amb27867398 [1,1,0,0,0,0|0,1,0]=3 3644 B7R0.16 O=C(O)C(F)C(Cl)Cl Amb4015382 [1,1,0,0,0,0|2,0,0]=4 3645 B7R0.16 O=C(O)C(F)C(F)F Amb27481077 [1,1,0,0,0,0|2,0,0]=4 3646 B7R0.16 O=C(O)C(O)C(Cl)Cl Amb27212773 [1,1,0,0,0,0|2,0,0]=4 3647 B7R0.16 O=C(O)C(O)C(F)F Amb25074883 [1,1,0,0,0,0|2,0,0]=4 3648 B7R0.4 C#CCCCC(=O)O Amb2721705 [1,1,0,0,0,0|1,0,1]=4 3649 B7R0.4 C#CCNCC(=O)O Amb33551387 [1,1,0,0,0,0|1,0,1]=4 3650 B7R0.4 C#CCNCC(=O)O Amb6740302 [1,1,0,0,0,0|1,0,1]=4 3651 B7R0.4 C#CCOCC(=O)O Amb9208655 [1,1,0,0,0,0|1,0,1]=4 3652 B7R0.4 C#CCSCC(=O)O Amb2372297 [1,1,0,0,0,0|1,0,1]=4 3653 B7R0.4 C=CCCCC(=O)O Amb3941675 [1,1,0,0,0,0|1,0,1]=4 3654 B7R0.4 C=CCNCC(=O)O Amb7766404 [1,1,0,0,0,0|1,0,1]=4 3655 B7R0.4 C=CCNCC(=O)O Amb8631497 [1,1,0,0,0,0|1,0,1]=4 3656 B7R0.4 C=CCOCC(=O)O Amb9208694 [1,1,0,0,0,0|1,0,1]=4 3657 B7R0.4 C=CCSCC(=O)O Amb33526723 [1,1,0,0,0,0|1,0,1]=4 3658 B7R0.4 C=CNCCC(=O)O Amb27429817 [1,1,0,0,0,0|1,0,1]=4 3659 B7R0.4 C=COCCC(=O)O Amb28350126 [1,1,0,0,0,0|0,1,1]=4 3660 B7R0.4 CC#CCCC(=O)O Amb3987196 [1,1,0,0,0,0|1,0,0]=3 3661 B7R0.4 CC(=O)CCCCBr Amb16234126 [1,1,0,0,0,0|2,0,0]=4 3662 B7R0.4 CC(=O)CCCCCl Amb3941549 [1,1,0,0,0,0|2,0,0]=4 3663 B7R0.4 CC(=O)CCCCF Amb27490855 [1,1,0,0,0,0|2,0,0]=4 3664 B7R0.4 CC(=O)CCCCN Amb27401218 [1,1,0,0,0,0|2,0,0]=4 3665 B7R0.4 CC(=O)CCCCO Amb10603864 [1,1,0,0,0,0|2,0,0]=4 3666 B7R0.4 CC(=O)CCSC#N Amb28062990 [1,1,0,0,0,0|1,0,1]=4 3667 B7R0.4 CCC#CCC(=O)O Amb26515701 [1,1,0,0,0,0|1,0,1]=4 3668 B7R0.4 CCCC#CC(=O)O Amb2721706 [1,1,0,0,0,0|1,0,1]=4 3669 B7R0.4 CCCCCC(=O)F Amb26061517 [1,1,0,0,0,0|2,0,0]=4 3670 B7R0.4 CCCCCC(=O)O Amb3939846 [1,1,0,0,0,0|1,0,0]=3 3671 B7R0.4 CCCCCC(=O)[O-] Amb22337624 [1,1,0,0,0,0|1,0,1]=4 3672 B7R0.4 CCCCCC(C)=O Amb6608885 [1,1,0,0,0,0|2,0,0]=4 3673 B7R0.4 CCCCNC(=O)Cl Amb24574309 [1,1,0,0,0,0|2,0,0]=4 3674 B7R0.4 CCCCNC(C)=O Amb5835711 [1,1,0,0,0,0|2,0,0]=4 3675 B7R0.4 CCCCNC(N)=O Amb6663202 [1,1,0,0,0,0|2,0,0]=4 3676 B7R0.4 CCCCOC(=O)Cl Amb6608833 [1,1,0,0,0,0|2,0,0]=4 3677 B7R0.4 CCCCOC(C)=O Amb6608782 [1,1,0,0,0,0|2,0,0]=4 3678 B7R0.4 CCCCOC(N)=O Amb4136361 [1,1,0,0,0,0|2,0,0]=4 3679 B7R0.4 CCCCO[PH](=O)O Amb26035392 [1,1,0,0,0,0|2,0,0]=4 3680 B7R0.4 CCCCSC(=O)Cl Amb22352826 [1,1,0,0,0,0|2,0,0]=4 3681 B7R0.4 CCCNCC(=O)O Amb10609640 [1,1,0,0,0,0|1,0,0]=3 3682 B7R0.4 CCCNCC(=O)O Amb1110628 [1,1,0,0,0,0|1,0,0]=3 3683 B7R0.4 CCCNCC(C)=O Amb26954588 [1,1,0,0,0,0|2,0,0]=4 3684 B7R0.4 CCCNCC(N)=O Amb1124632 [1,1,0,0,0,0|2,0,0]=4 3685 B7R0.4 CCCNCC(N)=O Amb28934788 [1,1,0,0,0,0|2,0,0]=4 3686 B7R0.4 CCCOCC(=O)Cl Amb27260778 [1,1,0,0,0,0|2,0,0]=4 3687 B7R0.4 CCCOCC(=O)O Amb8874504 [1,1,0,0,0,0|1,0,0]=3 3688 B7R0.4 CCCOCC(N)=O Amb27844884 [1,1,0,0,0,0|2,0,0]=4 3689 B7R0.4 CCCSCC(=O)O Amb1137113 [1,1,0,0,0,0|1,0,0]=3 3690 B7R0.4 CCCSCC(C)=O Amb9668676 [1,1,0,0,0,0|2,0,0]=4 3691 B7R0.4 CCCSCC(N)=O Amb27424658 [1,1,0,0,0,0|2,0,0]=4 3692 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [1,1,0,0,0,0|1,0,1]=4 3693 B7R0.4 CCNCCC(=O)O Amb28934794 [1,1,0,0,0,0|1,0,0]=3 3694 B7R0.4 CCNCCC(=O)O Amb7766402 [1,1,0,0,0,0|1,0,0]=3 3695 B7R0.4 CCNCCC(C)=O Amb18641851 [1,1,0,0,0,0|2,0,0]=4 3696 B7R0.4 CCNCCC(N)=O Amb33533384 [1,1,0,0,0,0|2,0,0]=4 3697 B7R0.4 CCNCCC(N)=O Amb35749820 [1,1,0,0,0,0|2,0,0]=4 3698 B7R0.4 CCNNCC(=O)O Amb28326075 [1,1,0,0,0,0|2,0,0]=4 3699 B7R0.4 CCOCCC(=O)Cl Amb20672027 [1,1,0,0,0,0|1,1,0]=4 3700 B7R0.4 CCOCCC(=O)O Amb3939859 [1,1,0,0,0,0|0,1,0]=3 3701 B7R0.4 CCOCCC(C)=O Amb7764636 [1,1,0,0,0,0|1,1,0]=4 3702 B7R0.4 CCSCCC(=N)N Amb6680836 [1,1,0,0,0,0|2,0,0]=4 3703 B7R0.4 CCSCCC(=O)O Amb6273140 [1,1,0,0,0,0|0,0,0]=2 3704 B7R0.4 CCSCCC(C)=O Amb9655821 [1,1,0,0,0,0|1,0,0]=3 3705 B7R0.4 CCSCCC(C)O Amb28048927 [1,1,0,0,0,0|1,0,1]=4 3706 B7R0.4 CCSCCC(N)=O Amb27258252 [1,1,0,0,0,0|1,0,0]=3 3707 B7R0.4 CCSCCC(N)=S Amb17307560 [1,1,0,0,0,0|1,1,0]=4 3708 B7R0.4 CCSCCN(C)O Amb33324043 [1,1,0,0,0,0|2,0,0]=4 3709 B7R0.4 CCSCC[C@@H](C)O Amb33223925 [1,1,0,0,0,0|1,0,1]=4 3710 B7R0.4 CCSCC[C@H](C)O Amb33323733 [1,1,0,0,0,0|1,0,1]=4 3711 B7R0.4 CCSCC[N+](=O)[O-] Amb27838043 [1,1,0,0,0,0|1,0,1]=4 3712 B7R0.4 CCSSCC(C)=O Amb28316151 [1,1,0,0,0,0|2,0,0]=4 3713 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [1,1,0,0,0,0|1,0,1]=4 3714 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [1,1,0,0,0,0|1,0,1]=4 3715 B7R0.4 CNCC#CC(=O)O Amb27218273 [1,1,0,0,0,0|1,0,1]=4 3716 B7R0.4 CNCCCC(=O)O Amb1153115 [1,1,0,0,0,0|1,0,0]=3 3717 B7R0.4 CNCCCC(=O)O Amb4521435 [1,1,0,0,0,0|1,0,0]=3 3718 B7R0.4 CNCCCC(C)=O Amb27838406 [1,1,0,0,0,0|2,0,0]=4 3719 B7R0.4 CNCCCC(N)=O Amb18303611 [1,1,0,0,0,0|2,0,0]=4 3720 B7R0.4 CNCCCC(N)=O Amb31307731 [1,1,0,0,0,0|2,0,0]=4 3721 B7R0.4 CNCCNC(C)=O Amb28934797 [1,1,0,0,0,0|2,0,0]=4 3722 B7R0.4 CNCCNC(C)=O Amb9256137 [1,1,0,0,0,0|2,0,0]=4 3723 B7R0.4 CNCCNC(N)=O Amb18299975 [1,1,0,0,0,0|2,0,0]=4 3724 B7R0.4 CNCCOC(C)=O Amb18124262 [1,1,0,0,0,0|2,0,0]=4 3725 B7R0.4 CNCCOC(C)=O Amb33621071 [1,1,0,0,0,0|2,0,0]=4 3726 B7R0.4 CNCCOC(N)=O Amb25136928 [1,1,0,0,0,0|2,0,0]=4 3727 B7R0.4 CNCCOC(N)=O Amb32693459 [1,1,0,0,0,0|2,0,0]=4 3728 B7R0.4 CNC\C=C\C(=O)O Amb25368293 [1,1,0,0,0,0|1,0,1]=4 3729 B7R0.4 COCC#CC(=O)O Amb33544473 [1,1,0,0,0,0|0,1,1]=4 3730 B7R0.4 COCCCC(=O)O Amb6275629 [1,1,0,0,0,0|0,1,0]=3 3731 B7R0.4 COCCCC(C)=O Amb9031556 [1,1,0,0,0,0|1,1,0]=4 3732 B7R0.4 COCCNC(C)=O Amb3358082 [1,1,0,0,0,0|1,1,0]=4 3733 B7R0.4 COCCNC(N)=O Amb1104938 [1,1,0,0,0,0|1,1,0]=4 3734 B7R0.4 COCCOC(=O)Cl Amb2689125 [1,1,0,0,0,0|1,1,0]=4 3735 B7R0.4 COCCOC(C)=O Amb4037074 [1,1,0,0,0,0|1,1,0]=4 3736 B7R0.4 COCCOC(N)=O Amb25054225 [1,1,0,0,0,0|1,1,0]=4 3737 B7R0.4 COCOCC(=O)O Amb28059312 [1,1,0,0,0,0|0,1,0]=3 3738 B7R0.4 COCSCC(=O)O Amb27466837 [1,1,0,0,0,0|0,1,0]=3 3739 B7R0.4 COC\C=C\C(=O)O Amb33986212 [1,1,0,0,0,0|0,1,1]=4 3740 B7R0.4 CSCCCC(=N)N Amb27829199 [1,1,0,0,0,0|2,0,0]=4 3741 B7R0.4 CSCCCC(=O)O Amb17503622 [1,1,0,0,0,0|0,0,0]=2 3742 B7R0.4 CSCCCC(C)=O Amb25122381 [1,1,0,0,0,0|1,0,0]=3 3743 B7R0.4 CSCCCC(C)O Amb25958947 [1,1,0,0,0,0|1,0,1]=4 3744 B7R0.4 CSCCCC(N)=S Amb28048945 [1,1,0,0,0,0|1,1,0]=4 3745 B7R0.4 CSCCCN(C)O Amb33198763 [1,1,0,0,0,0|2,0,0]=4 3746 B7R0.4 CSCCC[C@@H](C)O Amb33198286 [1,1,0,0,0,0|1,0,1]=4 3747 B7R0.4 CSCCC[C@H](C)O Amb33198288 [1,1,0,0,0,0|1,0,1]=4 3748 B7R0.4 CSCCC[N+](=O)[O-] Amb33200220 [1,1,0,0,0,0|1,0,1]=4 3749 B7R0.4 CSCCNC(=O)Cl Amb29882959 [1,1,0,0,0,0|1,0,0]=3 3750 B7R0.4 CSCCNC(C)=O Amb8504699 [1,1,0,0,0,0|1,0,0]=3 3751 B7R0.4 CSCCNC(N)=O Amb27424586 [1,1,0,0,0,0|1,0,0]=3 3752 B7R0.4 CSCCNC(N)=S Amb24414359 [1,1,0,0,0,0|1,1,0]=4 3753 B7R0.4 CSCCSC(=N)N Amb27984752 [1,1,0,0,0,0|2,0,0]=4 3754 B7R0.4 CSCCSC(C)=O Amb27635033 [1,1,0,0,0,0|1,0,0]=3 3755 B7R0.4 CSCSCC(=O)O Amb27858824 [1,1,0,0,0,0|0,0,0]=2 3756 B7R0.4 CSC\C=C/C(C)=O Amb25713058 [1,1,0,0,0,0|1,0,1]=4 3757 B7R0.4 CSC\C=C\C(C)=O Amb33359530 [1,1,0,0,0,0|1,0,1]=4 3758 B7R0.4 CSSCCC(=O)O Amb26848465 [1,1,0,0,0,0|0,0,0]=2 3759 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [1,1,0,0,0,0|0,0,1]=3 3760 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [1,1,0,0,0,0|1,0,0]=3 3761 B7R0.4 C\C=C\CCC(C)=O Amb9031579 [1,1,0,0,0,0|2,0,0]=4 3762 B7R0.4 N#CCCCC(=O)O Amb33542831 [1,1,0,0,0,0|1,0,1]=4 3763 B7R0.4 N#CCSCC(=O)O Amb6243720 [1,1,0,0,0,0|2,0,0]=4 3764 B7R0.4 N#CNCCC(=O)O Amb30031691 [1,1,0,0,0,0|1,0,1]=4 3765 B7R0.4 NC(=O)CCCCBr Amb27875083 [1,1,0,0,0,0|2,0,0]=4 3766 B7R0.4 NC(=O)CCCCCl Amb7782532 [1,1,0,0,0,0|2,0,0]=4 3767 B7R0.4 NC(=O)CCCCO Amb3939470 [1,1,0,0,0,0|2,0,0]=4 3768 B7R0.4 NC(=O)CCCCS Amb27839239 [1,1,0,0,0,0|2,0,0]=4 3769 B7R0.4 NC(=O)CCSCCl Amb27430706 [1,1,0,0,0,0|1,0,0]=3 3770 B7R0.4 NCC#CCC(=O)O Amb27976019 [1,1,0,0,0,0|1,0,1]=4 3771 B7R0.4 NCCCCC(=O)Cl Amb26599615 [1,1,0,0,0,0|2,0,0]=4 3772 B7R0.4 NCCCCC(=O)O Amb2780021 [1,1,0,0,0,0|1,0,0]=3 3773 B7R0.4 NCCCCC(=O)O Amb3941646 [1,1,0,0,0,0|1,0,0]=3 3774 B7R0.4 NCCCCC(=O)O Amb9825855 [1,1,0,0,0,0|1,0,0]=3 3775 B7R0.4 NCCCCC(N)=O Amb18641897 [1,1,0,0,0,0|2,0,0]=4 3776 B7R0.4 NCCCCC(N)=O Amb33552086 [1,1,0,0,0,0|2,0,0]=4 3777 B7R0.4 NCCCCS(=O)O Amb27882127 [1,1,0,0,0,0|2,0,0]=4 3778 B7R0.4 NCCCNC(=O)O Amb24093884 [1,1,0,0,0,0|2,0,0]=4 3779 B7R0.4 NCCNCC(=O)O Amb17608063 [1,1,0,0,0,0|2,0,0]=4 3780 B7R0.4 NCCNCC(=O)O Amb33339058 [1,1,0,0,0,0|2,0,0]=4 3781 B7R0.4 NCCOCC(=O)O Amb18630146 [1,1,0,0,0,0|2,0,0]=4 3782 B7R0.4 NCCOCC(=O)O Amb33550947 [1,1,0,0,0,0|2,0,0]=4 3783 B7R0.4 NCCSCC(=O)O Amb17500446 [1,1,0,0,0,0|2,0,0]=4 3784 B7R0.4 NCCSCC(=O)O Amb20622325 [1,1,0,0,0,0|2,0,0]=4 3785 B7R0.4 NOCCCC(=O)O Amb10975956 [1,1,0,0,0,0|1,1,0]=4 3786 B7R0.4 NOCCCC(=O)O Amb22011795 [1,1,0,0,0,0|1,1,0]=4 3787 B7R0.4 NOCCCC(=O)O Amb31283653 [1,1,0,0,0,0|1,1,0]=4 3788 B7R0.4 O=C(Cl)CCCCBr Amb2685557 [1,1,0,0,0,0|2,0,0]=4 3789 B7R0.4 O=C(Cl)CCCCCl Amb6296596 [1,1,0,0,0,0|2,0,0]=4 3790 B7R0.4 O=C(O)CCCCBr Amb6608763 [1,1,0,0,0,0|1,0,0]=3 3791 B7R0.4 O=C(O)CCCCCl Amb3940369 [1,1,0,0,0,0|1,0,0]=3 3792 B7R0.4 O=C(O)CCCCF Amb26639920 [1,1,0,0,0,0|1,0,0]=3 3793 B7R0.4 O=C(O)CCCCO Amb9214971 [1,1,0,0,0,0|1,0,0]=3 3794 B7R0.4 O=C(O)CCCCS Amb17503767 [1,1,0,0,0,0|1,0,0]=3 3795 B7R0.4 O=C(O)CCCNCl Amb27173950 [1,1,0,0,0,0|2,0,0]=4 3796 B7R0.4 O=C(O)CCN=C=S Amb24562253 [1,1,0,0,0,0|1,0,1]=4 3797 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [1,1,0,0,0,0|1,0,1]=4 3798 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [1,1,0,0,0,0|2,0,0]=4 3799 B7R0.4 O=C(O)CNCCF Amb28076282 [1,1,0,0,0,0|2,0,0]=4 3800 B7R0.4 O=C(O)CNCCO Amb9325653 [1,1,0,0,0,0|2,0,0]=4 3801 B7R0.4 O=C(O)COCCCl Amb21857870 [1,1,0,0,0,0|2,0,0]=4 3802 B7R0.4 O=C(O)COCCF Amb27866609 [1,1,0,0,0,0|2,0,0]=4 3803 B7R0.4 O=C(O)COCCO Amb6680914 [1,1,0,0,0,0|2,0,0]=4 3804 B7R0.4 O=C(O)CSCCCl Amb18644703 [1,1,0,0,0,0|2,0,0]=4 3805 B7R0.4 O=C(O)CSSCCl Amb27983630 [1,1,0,0,0,0|1,0,0]=3 3806 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [1,1,0,0,0,0|1,0,1]=4 3807 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [1,1,0,0,0,0|1,0,1]=4 3808 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [1,1,0,0,0,0|1,0,1]=4 3809 B7R0.4 O=C([O-])CCCCF Amb33527827 [1,1,0,0,0,0|1,0,1]=4 3810 B7R0.4 O=C([O-])CCCCO Amb13952763 [1,1,0,0,0,0|1,0,1]=4 3811 B7R0.4 O=C([O-])CCCCO Amb22749314 [1,1,0,0,0,0|1,0,1]=4 3812 B7R0.4 O=C=NCCC(=O)O Amb26053417 [1,1,0,0,0,0|1,0,1]=4 3813 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,1,0,0,0,0|1,0,1]=4 3814 B7R0.4 O=CNCCC(=O)O Amb18290434 [1,1,0,0,0,0|1,0,1]=4 3815 B7R0.4 O=NSCCC(=O)O Amb28429846 [1,1,0,0,0,0|1,0,0]=3 3816 B7R0.4 [N-]=[N+]=NCCC(=O)O Amb20622326 [1,1,0,0,0,0|2,0,0]=4 3817 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [1,1,0,0,0,0|1,0,1]=4 3818 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [1,1,0,0,0,0|1,0,0]=3 3819 B7R0.6 C=C(C)CCC(C)=O Amb9024770 [1,1,0,0,0,0|2,0,0]=4 3820 B7R0.6 C=C(C)CCC(N)=O Amb27838318 [1,1,0,0,0,0|2,0,0]=4 3821 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [1,1,0,0,0,0|2,0,0]=4 3822 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [1,1,0,0,0,0|1,0,1]=4 3823 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [1,1,0,0,0,0|1,0,1]=4 3824 B7R0.6 CC(=O)CCC(=O)O Amb534169 [1,1,0,0,0,0|1,0,0]=3 3825 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [1,1,0,0,0,0|2,0,0]=4 3826 B7R0.6 CC(=O)CCC(C)=S Amb27226729 [1,1,0,0,0,0|2,0,0]=4 3827 B7R0.6 CC(=O)CCC(C)Br Amb27424770 [1,1,0,0,0,0|2,0,0]=4 3828 B7R0.6 CC(=O)CCC(C)C Amb4605991 [1,1,0,0,0,0|2,0,0]=4 3829 B7R0.6 CC(=O)CCC(C)O Amb25829594 [1,1,0,0,0,0|2,0,0]=4 3830 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [1,1,0,0,0,0|2,0,0]=4 3831 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [1,1,0,0,0,0|1,1,0]=4 3832 B7R0.6 CC(=O)CCN(C)C Amb1129203 [1,1,0,0,0,0|2,0,0]=4 3833 B7R0.6 CC(=O)CCN(C)C Amb343601 [1,1,0,0,0,0|2,0,0]=4 3834 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [1,1,0,0,0,0|2,0,0]=4 3835 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [1,1,0,0,0,0|2,0,0]=4 3836 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [1,1,0,0,0,0|2,0,0]=4 3837 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [1,1,0,0,0,0|2,0,0]=4 3838 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [1,1,0,0,0,0|2,0,0]=4 3839 B7R0.6 CC(Br)CCC(=O)O Amb18124528 [1,1,0,0,0,0|1,0,0]=3 3840 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [1,1,0,0,0,0|1,0,1]=4 3841 B7R0.6 CC(C)CCC(=O)Cl Amb3941047 [1,1,0,0,0,0|2,0,0]=4 3842 B7R0.6 CC(C)CCC(=O)O Amb1153016 [1,1,0,0,0,0|1,0,0]=3 3843 B7R0.6 CC(C)CCC(N)=O Amb8997711 [1,1,0,0,0,0|2,0,0]=4 3844 B7R0.6 CC(C)NCC(=O)O Amb2372347 [1,1,0,0,0,0|2,0,0]=4 3845 B7R0.6 CC(C)NCC(=O)O Amb6892753 [1,1,0,0,0,0|2,0,0]=4 3846 B7R0.6 CC(C)OCC(=O)O Amb6275796 [1,1,0,0,0,0|2,0,0]=4 3847 B7R0.6 CC(C)SCC(=O)O Amb1128460 [1,1,0,0,0,0|2,0,0]=4 3848 B7R0.6 CC(Cl)CCC(=O)Cl Amb22229744 [1,1,0,0,0,0|2,0,0]=4 3849 B7R0.6 CC(I)CCC(=O)O Amb25938596 [1,1,0,0,0,0|1,0,0]=3 3850 B7R0.6 CC(N)CCC(=O)O Amb17593212 [1,1,0,0,0,0|1,0,0]=3 3851 B7R0.6 CC(N)CCC(=O)O Amb19515603 [1,1,0,0,0,0|1,0,0]=3 3852 B7R0.6 CC(N)CCS(=O)O Amb27839082 [1,1,0,0,0,0|2,0,0]=4 3853 B7R0.6 CC(N)CC[PH](=O)O Amb27221659 [1,1,0,0,0,0|2,0,0]=4 3854 B7R0.6 CC(N)SCC(=O)O Amb27401691 [1,1,0,0,0,0|2,0,0]=4 3855 B7R0.6 CC(O)CCC(=O)O Amb18294804 [1,1,0,0,0,0|1,0,0]=3 3856 B7R0.6 CC(O)CCC(=O)[O-] Amb32729478 [1,1,0,0,0,0|1,0,1]=4 3857 B7R0.6 CC(S)CCC(=O)O Amb8471198 [1,1,0,0,0,0|1,0,0]=3 3858 B7R0.6 CC(S)CCC(N)=O Amb28399630 [1,1,0,0,0,0|2,0,0]=4 3859 B7R0.6 CN(C)CCC(=O)Cl Amb26050113 [1,1,0,0,0,0|2,0,0]=4 3860 B7R0.6 CN(C)CCC(=O)Cl Amb32652940 [1,1,0,0,0,0|2,0,0]=4 3861 B7R0.6 CN(C)CCC(=O)O Amb19888182 [1,1,0,0,0,0|1,0,0]=3 3862 B7R0.6 CN(C)CCC(=O)O Amb6633385 [1,1,0,0,0,0|1,0,0]=3 3863 B7R0.6 CN(C)CCC(N)=O Amb17231825 [1,1,0,0,0,0|2,0,0]=4 3864 B7R0.6 CN(C)OCC(=O)O Amb28120004 [1,1,0,0,0,0|2,0,0]=4 3865 B7R0.6 CN(N)CCC(=O)O Amb2698078 [1,1,0,0,0,0|1,0,0]=3 3866 B7R0.6 CN(O)CCC(N)=O Amb27390605 [1,1,0,0,0,0|2,0,0]=4 3867 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [1,1,0,0,0,0|0,0,1]=3 3868 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [1,1,0,0,0,0|1,0,1]=4 3869 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [1,1,0,0,0,0|1,0,0]=3 3870 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [1,1,0,0,0,0|1,0,0]=3 3871 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [1,1,0,0,0,0|1,0,0]=3 3872 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [1,1,0,0,0,0|1,0,0]=3 3873 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [1,1,0,0,0,0|1,0,0]=3 3874 B7R0.6 C[C@H](S)CCC(=O)O Amb27170326 [1,1,0,0,0,0|1,0,0]=3 3875 B7R0.6 C[S+](C)CCC(=O)O Amb8390782 [1,1,0,0,0,0|0,0,1]=3 3876 B7R0.6 C[S+](C)CCC(=O)[O-] Amb20247306 [1,1,0,0,0,0|0,0,2]=4 3877 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [1,1,0,0,0,0|1,0,1]=4 3878 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [1,1,0,0,0,0|2,0,0]=4 3879 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [1,1,0,0,0,0|2,0,0]=4 3880 B7R0.6 O=C(O)CCB(O)O Amb24640288 [1,1,0,0,0,0|2,0,0]=4 3881 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [1,1,0,0,0,0|2,0,0]=4 3882 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [1,1,0,0,0,0|2,0,0]=4 3883 B7R0.6 O=C(O)CCC(Cl)Cl Amb25059214 [1,1,0,0,0,0|2,0,0]=4 3884 B7R0.6 O=C(O)CCC(F)F Amb20623135 [1,1,0,0,0,0|2,0,0]=4 3885 B7R0.6 O=C(O)CCN(F)F Amb28370344 [1,1,0,0,0,0|2,0,0]=4 3886 B7R0.6 O=C(O)CCP(O)O Amb27424479 [1,1,0,0,0,0|2,0,0]=4 3887 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [1,1,0,0,0,0|1,0,1]=4 3888 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [1,1,0,0,0,0|2,0,0]=4 3889 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [1,1,0,0,0,0|1,0,1]=4 3890 B7R0.8 CCCCP(=O)(O)O Amb22053921 [1,1,0,0,0,0|2,0,0]=4 3891 B7R0.8 CCCCS(=O)(=O)O Amb10844727 [1,1,0,0,0,0|2,0,0]=4 3892 B7R0.8 CNCCP(=O)(O)O Amb27751957 [1,1,0,0,0,0|2,0,0]=4 3893 B7R0.8 CNCCS(=O)(=O)O Amb6825625 [1,1,0,0,0,0|2,0,0]=4 3894 B7R0.8 CSCCC(C)(C)O Amb24483080 [1,1,0,0,0,0|1,0,1]=4 3895 B7R0.8 CSCCS(=O)(=O)Cl Amb27474654 [1,1,0,0,0,0|1,0,1]=4 3896 B7R0.8 CSCCS(=O)(=O)F Amb33053731 [1,1,0,0,0,0|1,0,1]=4 3897 B7R0.8 CSCCS(C)(=O)=O Amb28049319 [1,1,0,0,0,0|1,0,1]=4 3898 B7R0.8 CSCCS(N)(=O)=O Amb27622120 [1,1,0,0,0,0|1,0,1]=4 3899 B9R0.4 C=C(C)CC(N)CCSC Amb27779574 [0,1,0,0,0,1|2,0,0]=4 3900 B9R0.4 C=CCCC(N)CC(=O)O Amb22641959 [0,1,0,0,0,1|1,0,1]=4 3901 B9R0.4 C=CCCC(N)CC(=O)O Amb31307612 [0,1,0,0,0,1|1,0,1]=4 3902 B9R0.4 C=CCC[C@H](N)CC(=O)O Amb10066917 [0,1,0,0,0,1|1,0,1]=4 3903 B9R0.4 CC(CCCCl)CC(=O)O Amb18646190 [0,1,0,0,0,1|2,0,0]=4 3904 B9R0.4 CC(CCCO)CC(=O)O Amb28050163 [0,1,0,0,0,1|2,0,0]=4 3905 B9R0.4 CC(CCCS)CC(=O)O Amb27443015 [0,1,0,0,0,1|2,0,0]=4 3906 B9R0.4 CCCCC(C)CC(=O)O Amb6740296 [0,1,0,0,0,1|2,0,0]=4 3907 B9R0.4 CCCCC(N)CC(=O)O Amb1993866 [0,1,0,0,0,1|1,0,0]=3 3908 B9R0.4 CCCCC(N)CC(=O)O Amb31307613 [0,1,0,0,0,1|1,0,0]=3 3909 B9R0.4 CCCCC(N)CC(N)=O Amb24638916 [0,1,0,0,0,1|2,0,0]=4 3910 B9R0.4 CCCCC(O)CC(=O)O Amb22388888 [0,1,0,0,0,1|2,0,0]=4 3911 B9R0.4 CCCC[C@@H](C)CC(=O)O Amb25887593 [0,1,0,0,0,1|2,0,0]=4 3912 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb26612752 [0,1,0,0,0,1|1,0,0]=3 3913 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb32663769 [0,1,0,0,0,1|1,0,0]=3 3914 B9R0.4 CCCC[C@@H](O)CC(=O)O Amb24350627 [0,1,0,0,0,1|2,0,0]=4 3915 B9R0.4 CCCC[C@H](C)CC(=O)O Amb27424971 [0,1,0,0,0,1|2,0,0]=4 3916 B9R0.4 CCCC[C@H](N)CC(=O)O Amb27154618 [0,1,0,0,0,1|1,0,0]=3 3917 B9R0.4 CCNCC(C)CC(=O)O Amb27602707 [0,1,0,0,0,1|2,0,0]=4 3918 B9R0.4 CCOCC(O)CC(=O)O Amb28340917 [0,1,0,0,0,1|1,1,0]=4 3919 B9R0.4 CCSCC(C)CC(=O)O Amb33324046 [0,1,0,0,0,1|1,0,0]=3 3920 B9R0.4 CCSCC(Cl)OC(C)=O Amb17940617 [0,1,0,0,0,1|2,0,0]=4 3921 B9R0.4 CCSCC(N)CC(=O)O Amb27233388 [0,1,0,0,0,1|0,0,0]=2 3922 B9R0.4 CCSCC(O)CC(=O)O Amb26062529 [0,1,0,0,0,1|1,0,0]=3 3923 B9R0.4 CCSC[C@@H](O)CC(=O)O Amb33324012 [0,1,0,0,0,1|1,0,0]=3 3924 B9R0.4 CCSC[C@H](O)CC(=O)O Amb33324011 [0,1,0,0,0,1|1,0,0]=3 3925 B9R0.4 CC\C=C\C(N)CC(=O)O Amb25843767 [0,1,0,0,0,1|1,0,1]=4 3926 B9R0.4 CNCC[C@@H](N)CC(=O)O Amb24117036 [0,1,0,0,0,1|1,0,0]=3 3927 B9R0.4 COCCC(C)CC(=O)O Amb27973352 [0,1,0,0,0,1|1,1,0]=4 3928 B9R0.4 COCCC(N)CC(=O)O Amb32687893 [0,1,0,0,0,1|0,1,0]=3 3929 B9R0.4 COCCC(O)CC(=O)O Amb33377806 [0,1,0,0,0,1|1,1,0]=4 3930 B9R0.4 COCC[C@@H](O)CC(=O)O Amb33377805 [0,1,0,0,0,1|1,1,0]=4 3931 B9R0.4 COCC[C@H](O)CC(=O)O Amb33377804 [0,1,0,0,0,1|1,1,0]=4 3932 B9R0.4 COCOC(C)CC(=O)O Amb28141098 [0,1,0,0,0,1|1,1,0]=4 3933 B9R0.4 CONCC(O)CC(=O)O Amb28071252 [0,1,0,0,0,1|1,1,0]=4 3934 B9R0.4 CSCCC(C)CC(=O)O Amb26651819 [0,1,0,0,0,1|1,0,0]=3 3935 B9R0.4 CSCCC(C)NC(C)=O Amb27868995 [0,1,0,0,0,1|2,0,0]=4 3936 B9R0.4 CSCCC(N)C=C(C)C Amb28130951 [0,1,0,0,0,1|2,0,0]=4 3937 B9R0.4 CSCCC(N)CC(=O)O Amb22353181 [0,1,0,0,0,1|0,0,0]=2 3938 B9R0.4 CSCCC(N)CC(=O)O Amb30666600 [0,1,0,0,0,1|0,0,0]=2 3939 B9R0.4 CSCCC(N)CC(N)=O Amb26023351 [0,1,0,0,0,1|1,0,0]=3 3940 B9R0.4 CSCCC(O)CC(=O)O Amb18798349 [0,1,0,0,0,1|1,0,0]=3 3941 B9R0.4 CSCCN(C)CC(=O)O Amb27448940 [0,1,0,0,0,1|2,0,0]=4 3942 B9R0.4 CSCC[C@@H](N)CC(=O)O Amb26930581 [0,1,0,0,0,1|0,0,0]=2 3943 B9R0.4 CSCC[C@@H](O)CC(=O)O Amb33198734 [0,1,0,0,0,1|1,0,0]=3 3944 B9R0.4 CSCC[C@H](N)CC(=O)O Amb16184019 [0,1,0,0,0,1|0,0,0]=2 3945 B9R0.4 CSCC[C@H](O)CC(=O)O Amb33198733 [0,1,0,0,0,1|1,0,0]=3 3946 B9R0.4 CSC\C=C(\C)CC(=O)O Amb24726319 [0,1,0,0,0,1|1,0,1]=4 3947 B9R0.4 C\C=C/C[C@@H](O)CC(=O)O Amb28050083 [0,1,0,0,0,1|2,0,0]=4 3948 B9R0.4 NCCCC(N)CC(=O)O Amb18644278 [0,1,0,0,0,1|1,0,0]=3 3949 B9R0.4 NCCCC(N)CC(=O)O Amb32753541 [0,1,0,0,0,1|1,0,0]=3 3950 B9R0.4 NCCC[C@@H](N)CC(=O)O Amb24117039 [0,1,0,0,0,1|1,0,0]=3 3951 B9R0.4 NCCC[C@@H](N)CC(=O)O Amb24117927 [0,1,0,0,0,1|1,0,0]=3 3952 B9R0.4 NCCC[C@H](N)CC(=O)O Amb25757485 [0,1,0,0,0,1|1,0,0]=3 3953 B9R0.4 NCCC[C@H](N)CC(=O)O Amb32684506 [0,1,0,0,0,1|1,0,0]=3 3954 B9R0.6 C=C(C(=O)O)C(C)CCC Amb33321132 [0,1,0,0,0,1|2,0,0]=4 3955 B9R0.6 CCCC(C)C(=O)C(=O)O Amb24747027 [0,1,0,0,0,1|2,0,0]=4 3956 B9R0.6 CCCC(C)C(C)C(=O)O Amb28050123 [0,1,0,0,0,1|2,0,0]=4 3957 B9R0.6 CCCC(C)C(N)C(=O)O Amb20622789 [0,1,0,0,0,1|2,0,0]=4 3958 B9R0.6 CCCC(C)C(O)C(=O)O Amb27809670 [0,1,0,0,0,1|2,0,0]=4 3959 B9R0.6 CCCC(C)[C@@H](C)C(=O)O Amb33727115 [0,1,0,0,0,1|2,0,0]=4 3960 B9R0.6 CCCC(C)[C@@H](N)C(=O)O Amb26624121 [0,1,0,0,0,1|2,0,0]=4 3961 B9R0.6 CCCC(C)[C@H](C)C(=O)O Amb33749068 [0,1,0,0,0,1|2,0,0]=4 3962 B9R0.6 CCCC(C)[C@H](N)C(=O)O Amb26512364 [0,1,0,0,0,1|2,0,0]=4 3963 B9R0.6 CCCC(F)C(Br)C(=O)O Amb27623862 [0,1,0,0,0,1|2,0,0]=4 3964 B9R0.6 CCCC(F)C(N)C(=O)O Amb10839857 [0,1,0,0,0,1|2,0,0]=4 3965 B9R0.6 CCCC(N)C(C)C(=O)O Amb24763852 [0,1,0,0,0,1|1,0,0]=3 3966 B9R0.6 CCCC(N)C(F)C(=O)O Amb33036385 [0,1,0,0,0,1|1,0,0]=3 3967 B9R0.6 CCCC(N)C(O)C(N)=O Amb8391315 [0,1,0,0,0,1|2,0,0]=4 3968 B9R0.6 CCCC(O)C(C)C(=O)O Amb18310700 [0,1,0,0,0,1|2,0,0]=4 3969 B9R0.6 CCCC(O)C(Cl)C(=O)O Amb28120934 [0,1,0,0,0,1|2,0,0]=4 3970 B9R0.6 CCCC(O)C(F)C(=O)O Amb33036248 [0,1,0,0,0,1|2,0,0]=4 3971 B9R0.6 CCCC(O)C(N)C(=O)O Amb18124815 [0,1,0,0,0,1|2,0,0]=4 3972 B9R0.6 CCCC(O)C(O)C(=O)O Amb27772742 [0,1,0,0,0,1|2,0,0]=4 3973 B9R0.6 CCCC(O)[C@@H](O)C(=O)O Amb27256644 [0,1,0,0,0,1|2,0,0]=4 3974 B9R0.6 CCCC(O)[C@H](N)C(=O)O Amb26635079 [0,1,0,0,0,1|2,0,0]=4 3975 B9R0.6 CCCC(S)C(N)C(=O)O Amb27860699 [0,1,0,0,0,1|2,0,0]=4 3976 B9R0.6 CCCC(S)[C@@H](N)C(=O)O Amb27759942 [0,1,0,0,0,1|2,0,0]=4 3977 B9R0.6 CCC[C@@H](C)[C@@H](C)C(=O)O Amb27961440 [0,1,0,0,0,1|2,0,0]=4 3978 B9R0.6 CCC[C@@H](N)C(O)C(N)=O Amb33716855 [0,1,0,0,0,1|2,0,0]=4 3979 B9R0.6 CCC[C@@H](N)[C@@H](C)C(=O)O Amb27784849 [0,1,0,0,0,1|1,0,0]=3 3980 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O Amb22747816 [0,1,0,0,0,1|1,0,0]=3 3981 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O Amb22747809 [0,1,0,0,0,1|1,0,0]=3 3982 B9R0.6 CCC[C@@H](O)[C@@H](N)C(=O)O Amb25367288 [0,1,0,0,0,1|2,0,0]=4 3983 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O Amb24715802 [0,1,0,0,0,1|2,0,0]=4 3984 B9R0.6 CCC[C@H](C)[C@@H](N)C(=O)O Amb27801051 [0,1,0,0,0,1|2,0,0]=4 3985 B9R0.6 CCC[C@H](C)[C@@H](O)C(=O)O Amb28050149 [0,1,0,0,0,1|2,0,0]=4 3986 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O Amb29838293 [0,1,0,0,0,1|2,0,0]=4 3987 B9R0.6 CCC[C@H](N)C(O)C(=O)O Amb27229636 [0,1,0,0,0,1|1,0,0]=3 3988 B9R0.6 CCC[C@H](N)[C@@H](C)C(=O)O Amb27618082 [0,1,0,0,0,1|1,0,0]=3 3989 B9R0.6 CCC[C@H](N)[C@@H](O)C(=O)O Amb26344900 [0,1,0,0,0,1|1,0,0]=3 3990 B9R0.6 CCC[C@H](N)[C@H](O)C(=O)O Amb25084552 [0,1,0,0,0,1|1,0,0]=3 3991 B9R0.6 CCC[C@H](O)[C@@H](N)C(=O)O Amb26415873 [0,1,0,0,0,1|2,0,0]=4 3992 B9R0.6 CCC[C@H](O)[C@H](N)C(=O)O Amb25113866 [0,1,0,0,0,1|2,0,0]=4 3993 B9R0.6 COCC(C)C(C)C(=O)O Amb26369700 [0,1,0,0,0,1|1,1,0]=4 3994 B9R0.6 COCC(C)C(N)C(=O)O Amb24116980 [0,1,0,0,0,1|1,1,0]=4 3995 B9R0.6 COCC(C)C(O)C(=O)O Amb27596283 [0,1,0,0,0,1|1,1,0]=4 3996 B9R0.6 COCC(C)[C@@H](N)C(=O)O Amb26467489 [0,1,0,0,0,1|1,1,0]=4 3997 B9R0.6 COCC(C)[C@H](N)C(=O)O Amb25729786 [0,1,0,0,0,1|1,1,0]=4 3998 B9R0.6 COCC(O)C(N)C(=O)O Amb25147551 [0,1,0,0,0,1|1,1,0]=4 3999 B9R0.6 CSCC(C)C(N)C(=O)O Amb27161222 [0,1,0,0,0,1|1,0,0]=3 4000 B9R0.6 CSCC(C)N(C)C(N)=O Amb27974848 [0,1,0,0,0,1|2,0,0]=4 4001 B9R0.6 CSCC(C)[C@H](N)C(=O)O Amb28137881 [0,1,0,0,0,1|1,0,0]=3 4002 B9R0.6 CSCC(O)C(N)C(=O)O Amb18646340 [0,1,0,0,0,1|1,0,0]=3 4003 B9R0.6 CSC[C@@H](C)C(N)C(=O)O Amb27629392 [0,1,0,0,0,1|1,0,0]=3 4004 B9R0.6 CSC[C@H](O)[C@@H](N)C(=O)O Amb28320767 [0,1,0,0,0,1|1,0,0]=3 4005 B9R0.6 NCCC(N)C(N)C(=O)O Amb27759858 [0,1,0,0,0,1|2,0,0]=4 4006 B9R0.14 C=C(C)CC(CSC)NC Amb27395580 [0,1,0,0,0,1|2,0,0]=4 4007 B9R0.14 C=CC(CCC)CC(=O)O Amb26348136 [0,1,0,0,0,1|2,0,0]=4 4008 B9R0.14 CCC(COC)CC(=O)O Amb18202336 [0,1,0,0,0,1|1,1,0]=4 4009 B9R0.14 CCCC(C#N)CC(=O)O Amb28132763 [0,1,0,0,0,1|1,0,1]=4 4010 B9R0.14 CCCC(CC(=O)O)SC Amb27660749 [0,1,0,0,0,1|2,0,0]=4 4011 B9R0.14 CCCC(CC)CC(=O)O Amb18124694 [0,1,0,0,0,1|2,0,0]=4 4012 B9R0.14 CCCC(CI)CC(=O)O Amb8395787 [0,1,0,0,0,1|2,0,0]=4 4013 B9R0.14 CCCC(CN)CC(=O)O Amb24587738 [0,1,0,0,0,1|1,0,0]=3 4014 B9R0.14 CCC[C@@H](C#N)CC(=O)O Amb27469248 [0,1,0,0,0,1|1,0,1]=4 4015 B9R0.14 CCC[C@H](C#N)CC(=O)O Amb27219782 [0,1,0,0,0,1|1,0,1]=4 4016 B9R0.14 COCC(CN)CC(=O)O Amb33428858 [0,1,0,0,0,1|0,1,0]=3 4017 B9R0.14 COCC(CN)NC(N)=O Amb27807301 [0,1,0,0,0,1|1,1,0]=4 4018 B9R0.14 CSCC(C=C(C)C)NN Amb27951250 [0,1,0,0,0,1|2,0,0]=4 4019 B9R0.14 CSCC(CN)CC(=O)O Amb33272064 [0,1,0,0,0,1|0,0,0]=2 4020 B9R0.14 NCC(CCF)CC(=O)O Amb33196466 [0,1,0,0,0,1|2,0,0]=4 4021 B9R0.23 C=C(CC)C(N)CC(=O)O Amb25068441 [0,1,0,0,0,1|1,0,1]=4 4022 B9R0.23 CCC(C)C(C)CC(=O)O Amb18304200 [0,1,0,0,0,1|2,0,0]=4 4023 B9R0.23 CCC(C)C(N)CC(=O)O Amb2438880 [0,1,0,0,0,1|1,0,0]=3 4024 B9R0.23 CCC(C)C(N)CC(N)=O Amb25312995 [0,1,0,0,0,1|2,0,0]=4 4025 B9R0.23 CCC(C)C(O)CC(=O)O Amb18310690 [0,1,0,0,0,1|2,0,0]=4 4026 B9R0.23 CCC(C)[C@@H](N)CC(=O)O Amb28455466 [0,1,0,0,0,1|1,0,0]=3 4027 B9R0.23 CCC(C)[C@@H](N)CC(N)=O Amb25823252 [0,1,0,0,0,1|2,0,0]=4 4028 B9R0.23 CCC(C)[C@@H](O)CC(=O)O Amb33318493 [0,1,0,0,0,1|2,0,0]=4 4029 B9R0.23 CCC(C)[C@H](N)CC(=O)O Amb25117039 [0,1,0,0,0,1|1,0,0]=3 4030 B9R0.23 CCC(C)[C@H](N)CC(N)=O Amb28050389 [0,1,0,0,0,1|2,0,0]=4 4031 B9R0.23 CCC(C)[C@H](O)CC(=O)O Amb33318492 [0,1,0,0,0,1|2,0,0]=4 4032 B9R0.23 CC[C@@H](C)C(N)CC(=O)O Amb32687892 [0,1,0,0,0,1|1,0,0]=3 4033 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O Amb25689818 [0,1,0,0,0,1|1,0,0]=3 4034 B9R0.23 CC[C@H](C)C(N)CC(=O)O Amb32687890 [0,1,0,0,0,1|1,0,0]=3 4035 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O Amb16184016 [0,1,0,0,0,1|1,0,0]=3 4036 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Amb19944304 [0,1,0,0,0,1|1,0,0]=3 4037 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Amb25068405 [0,1,0,0,0,1|1,0,0]=3 4038 B9R0.23 CC[C@H](O)[C@@H](N)CC(=O)O Amb27469484 [0,1,0,0,0,1|1,0,0]=3 4039 B9R0.23 CNC(=O)C(N)CC(=O)O Amb18862479 [0,1,0,0,0,1|1,0,1]=4 4040 B9R0.23 COC(=O)C(N)CC(=O)O Amb18644309 [0,1,0,0,0,1|0,1,1]=4 4041 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb22746069 [0,1,0,0,0,1|0,1,1]=4 4042 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb8390387 [0,1,0,0,0,1|0,1,1]=4 4043 B9R0.23 COC(=O)[C@H](N)CC(=O)O Amb19944281 [0,1,0,0,0,1|0,1,1]=4 4044 B9R0.23 COC(C)C(C)CC(=O)O Amb18202340 [0,1,0,0,0,1|1,1,0]=4 4045 B9R0.23 COC(C)C(N)CC(=O)O Amb26567214 [0,1,0,0,0,1|0,1,0]=3 4046 B9R0.23 COC(C)C(N)CC(N)=O Amb26580109 [0,1,0,0,0,1|1,1,0]=4 4047 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35788177 [0,1,0,0,0,1|0,1,0]=3 4048 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35789671 [0,1,0,0,0,1|0,1,0]=3 4049 B9R0.23 C\C=C(\C)C(N)CC(=O)O Amb28245387 [0,1,0,0,0,1|1,0,1]=4 4050 B9R0.23 NC(CC(=O)O)C(O)CF Amb28071644 [0,1,0,0,0,1|2,0,0]=4 4051 B9R0.23 NC(CO)C(N)CC(=O)O Amb27804493 [0,1,0,0,0,1|2,0,0]=4 4052 B9R0.23 N[C@@H](CO)[C@H](N)CC(=O)O Amb27594534 [0,1,0,0,0,1|2,0,0]=4 4053 B9R0.34 C#CC(=O)CC(N)CCC Amb27883080 [0,1,0,0,0,1|2,0,0]=4 4054 B9R0.34 C=CC(=O)CC(N)CCC Amb27842052 [0,1,0,0,0,1|2,0,0]=4 4055 B9R0.34 CCC(=O)NC(C)CSC Amb27862227 [0,1,0,0,0,1|2,0,0]=4 4056 B9R0.34 CCC(=O)OC(C)CSC Amb27651506 [0,1,0,0,0,1|2,0,0]=4 4057 B9R0.34 CCCC(C)CC(=O)NO Amb27604245 [0,1,0,0,0,1|2,0,0]=4 4058 B9R0.34 CCCC(C)CC(=O)OC Amb25125122 [0,1,0,0,0,1|2,0,0]=4 4059 B9R0.34 CCCC(Cl)CC(=O)OC Amb27233458 [0,1,0,0,0,1|2,0,0]=4 4060 B9R0.34 CCCC(N)CC(=O)OC Amb22059489 [0,1,0,0,0,1|1,0,0]=3 4061 B9R0.34 CCCC(N)CC(=O)OC Amb28555525 [0,1,0,0,0,1|1,0,0]=3 4062 B9R0.34 CCCC(O)CC(=O)OC Amb21928831 [0,1,0,0,0,1|2,0,0]=4 4063 B9R0.34 CCC[C@@H](N)CC(=O)OC Amb26034917 [0,1,0,0,0,1|1,0,0]=3 4064 B9R0.34 CCC[C@@H](N)CC(=O)OC Amb33456865 [0,1,0,0,0,1|1,0,0]=3 4065 B9R0.34 CCC[C@@H](O)CC(=O)OC Amb26516817 [0,1,0,0,0,1|2,0,0]=4 4066 B9R0.34 CCC[C@H](N)CC(=O)OC Amb25147500 [0,1,0,0,0,1|1,0,0]=3 4067 B9R0.34 CCC[C@H](N)CC(=O)OC Amb33457265 [0,1,0,0,0,1|1,0,0]=3 4068 B9R0.34 CCC[C@H](O)CC(=O)OC Amb26357957 [0,1,0,0,0,1|2,0,0]=4 4069 B9R0.34 CCC\C(N)=C\C(=O)OC Amb27615138 [0,1,0,0,0,1|1,0,1]=4 4070 B9R0.34 CNC(=O)NC(C)CSC Amb27466781 [0,1,0,0,0,1|2,0,0]=4 4071 B9R0.34 CNCC(C)OC(=O)OC Amb27635719 [0,1,0,0,0,1|2,0,0]=4 4072 B9R0.34 CNC[C@H](O)CC(=O)OC Amb28315995 [0,1,0,0,0,1|2,0,0]=4 4073 B9R0.34 COC(=O)CC(=O)CSC Amb24441248 [0,1,0,0,0,1|1,0,1]=4 4074 B9R0.34 COC(=O)CC(N)CCO Amb27250761 [0,1,0,0,0,1|2,0,0]=4 4075 B9R0.34 COC(=O)CC(O)CSC Amb24412887 [0,1,0,0,0,1|1,0,0]=3 4076 B9R0.34 COC(=O)C[C@@H](O)CSC Amb25266160 [0,1,0,0,0,1|1,0,0]=3 4077 B9R0.34 COC(=O)C[C@H](O)CSC Amb33271735 [0,1,0,0,0,1|1,0,0]=3 4078 B9R0.34 COC(=O)NC(C)CSC Amb27254674 [0,1,0,0,0,1|1,0,0]=3 4079 B9R0.34 COCC(C)CC(=O)NO Amb27485247 [0,1,0,0,0,1|1,1,0]=4 4080 B9R0.34 COCC(N)CC(=O)OC Amb24393406 [0,1,0,0,0,1|0,1,0]=3 4081 B9R0.34 COCC(N)CC(=O)OC Amb32753354 [0,1,0,0,0,1|0,1,0]=3 4082 B9R0.34 COCC(O)CC(=O)OC Amb26613027 [0,1,0,0,0,1|1,1,0]=4 4083 B9R0.34 COC[C@@H](N)CC(=O)OC Amb25118860 [0,1,0,0,0,1|0,1,0]=3 4084 B9R0.34 COC[C@@H](N)CC(=O)OC Amb32674883 [0,1,0,0,0,1|0,1,0]=3 4085 B9R0.34 COC[C@@H](O)CC(=O)OC Amb27664269 [0,1,0,0,0,1|1,1,0]=4 4086 B9R0.34 COC[C@H](N)CC(=O)OC Amb24518573 [0,1,0,0,0,1|0,1,0]=3 4087 B9R0.34 COC[C@H](N)CC(=O)OC Amb33330971 [0,1,0,0,0,1|0,1,0]=3 4088 B9R0.34 COC[C@H](O)CC(=O)OC Amb26035488 [0,1,0,0,0,1|1,1,0]=4 4089 B9R0.34 CSCC(C)NC(=O)CBr Amb27984508 [0,1,0,0,0,1|2,0,0]=4 4090 B9R0.34 CSCC(C)NC(=O)CCl Amb27806679 [0,1,0,0,0,1|2,0,0]=4 4091 B9R0.34 CSCC(C)NC(=O)CN Amb27164701 [0,1,0,0,0,1|2,0,0]=4 4092 B9R0.34 C\C=C\[C@@H](N)CC(=O)OC Amb27394449 [0,1,0,0,0,1|1,0,1]=4 4093 B9R0.44 CSCC(N)CS(=O)(=O)O Amb27464436 [0,1,0,0,0,1|1,0,0]=3 4094 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [0,1,0,0,0,1|1,0,0]=3 4095 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [0,1,0,0,0,1|2,0,0]=4 4096 B9R0.53 CC(C)CC(C)CC(=O)O Amb6749218 [0,1,0,0,0,1|2,0,0]=4 4097 B9R0.53 CC(C)CC(N)CC(=O)O Amb2438867 [0,1,0,0,0,1|1,0,0]=3 4098 B9R0.53 CC(C)CC(N)CC(N)=O Amb25785407 [0,1,0,0,0,1|2,0,0]=4 4099 B9R0.53 CC(C)CC(O)CC(=O)O Amb17232005 [0,1,0,0,0,1|2,0,0]=4 4100 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631385 [0,1,0,0,0,1|1,0,0]=3 4101 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631386 [0,1,0,0,0,1|1,0,0]=3 4102 B9R0.53 CC(C)C[C@@H](O)CC(=O)O Amb28050162 [0,1,0,0,0,1|2,0,0]=4 4103 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb16184017 [0,1,0,0,0,1|1,0,0]=3 4104 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb19944305 [0,1,0,0,0,1|1,0,0]=3 4105 B9R0.53 CC(C)C[C@H](N)CC(N)=O Amb28120875 [0,1,0,0,0,1|2,0,0]=4 4106 B9R0.53 CC(C)C[C@H](O)CC(=O)O Amb24505145 [0,1,0,0,0,1|2,0,0]=4 4107 B9R0.53 CC(CC(=O)O)CN(C)C Amb27948144 [0,1,0,0,0,1|2,0,0]=4 4108 B9R0.53 CC(CC(=O)O)CN(C)C Amb32680754 [0,1,0,0,0,1|2,0,0]=4 4109 B9R0.53 CC(Cl)CC(Cl)CC(=O)O Amb28436914 [0,1,0,0,0,1|2,0,0]=4 4110 B9R0.53 CN(C)CC(O)CC(=O)O Amb4477325 [0,1,0,0,0,1|2,0,0]=4 4111 B9R0.53 CN(C)C[C@H](O)CC(=O)O Amb10069803 [0,1,0,0,0,1|2,0,0]=4 4112 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [0,1,0,0,0,1|0,0,1]=3 4113 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [0,1,0,0,0,1|2,0,0]=4 4114 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [0,1,0,0,0,1|2,0,0]=4 4115 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,1,0,0,0,1|2,0,0]=4 4116 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [0,1,0,0,0,1|2,0,0]=4 4117 B9R0.58 CCCC(C)(C)CC(=O)O Amb22229019 [0,1,0,0,0,1|2,0,0]=4 4118 B9R0.58 CCCC(C)(N)CC(=O)O Amb27489892 [0,1,0,0,0,1|1,0,0]=3 4119 B9R0.58 CCCC(C)(N)CC(N)=O Amb33255835 [0,1,0,0,0,1|2,0,0]=4 4120 B9R0.58 CCCC(C)(O)CC(=O)O Amb18310709 [0,1,0,0,0,1|2,0,0]=4 4121 B9R0.58 CCCC(F)(F)CC(=O)O Amb24482478 [0,1,0,0,0,1|2,0,0]=4 4122 B9R0.58 CNCC(C)(C)CC(=O)O Amb24116872 [0,1,0,0,0,1|2,0,0]=4 4123 B9R0.58 CNCC(F)(F)CC(=O)O Amb33347090 [0,1,0,0,0,1|2,0,0]=4 4124 B9R0.58 COCC(C)(C)CC(=O)O Amb33551195 [0,1,0,0,0,1|1,1,0]=4 4125 B9R0.58 COCC(C)(N)CC(=O)O Amb27158999 [0,1,0,0,0,1|0,1,0]=3 4126 B9R0.58 COCC(C)(N)CC(=O)O Amb33620555 [0,1,0,0,0,1|0,1,0]=3 4127 B9R0.58 COCC(C)(N)CC(N)=O Amb33254819 [0,1,0,0,0,1|1,1,0]=4 4128 B9R0.58 COCC(C)(O)CC(=O)O Amb18312293 [0,1,0,0,0,1|1,1,0]=4 4129 B9R0.58 COCC(F)(F)CC(=O)O Amb33337739 [0,1,0,0,0,1|1,1,0]=4 4130 B9R0.58 CSCC(C)(C)CC(=O)O Amb33272052 [0,1,0,0,0,1|1,0,0]=3 4131 B9R0.58 CSCC(C)(N)CC(=O)O Amb33254915 [0,1,0,0,0,1|0,0,0]=2 4132 B9R0.58 CSCC(C)(N)CC(N)=O Amb32787422 [0,1,0,0,0,1|1,0,0]=3 4133 B9R0.58 CSCC(C)(O)CC(=O)O Amb33036115 [0,1,0,0,0,1|1,0,0]=3 4134 B9R0.58 CSCC(F)(F)CC(=O)O Amb33413045 [0,1,0,0,0,1|1,0,0]=3 4135 B9R0.58 C\C=C\C(C)(N)CC(=O)O Amb33036295 [0,1,0,0,0,1|1,0,1]=4 4136 B9R0.25 CCC(C)C(N)P(=O)(O)O Amb8516014 [0,2,0,0,0,0|2,0,0]=4 4137 B9R0.25 CC[C@H](C)[C@@H](N)P(=O)(O)O Amb27615025 [0,2,0,0,0,0|2,0,0]=4 4138 B9R0.27 C#CC(=O)[C@@H](N)C(C)CC Amb35617475 [0,2,0,0,0,0|2,0,0]=4 4139 B9R0.27 C#CC(=O)[C@@H](N)[C@@H](C)CC Amb35617476 [0,2,0,0,0,0|2,0,0]=4 4140 B9R0.27 C=C(CC)[C@@H](N)C(=O)OC Amb27855580 [0,2,0,0,0,0|1,0,1]=4 4141 B9R0.27 C=C(OC)C(N)C(=O)OC Amb28422733 [0,2,0,0,0,0|0,1,1]=4 4142 B9R0.27 C=CC(=O)C(N)C(C)CC Amb28050472 [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.27 C=CC(C)C(N)C(=O)OC Amb18644005 [0,2,0,0,0,0|1,0,1]=4 4144 B9R0.27 C=CC(C)C(N)C(=O)OC Amb24271135 [0,2,0,0,0,0|1,0,1]=4 4145 B9R0.27 C=C[C@@H](C)[C@H](N)C(=O)OC Amb27815032 [0,2,0,0,0,0|1,0,1]=4 4146 B9R0.27 CCC(=O)C(N)C(C)CC Amb27838050 [0,2,0,0,0,0|2,0,0]=4 4147 B9R0.27 CCC(=O)[C@H](N)[C@@H](C)CC Amb27461445 [0,2,0,0,0,0|2,0,0]=4 4148 B9R0.27 CCC(C)C(Br)C(=O)OC Amb27797258 [0,2,0,0,0,0|2,0,0]=4 4149 B9R0.27 CCC(C)C(C)C(=O)OC Amb27605074 [0,2,0,0,0,0|2,0,0]=4 4150 B9R0.27 CCC(C)C(Cl)C(=O)OC Amb18800857 [0,2,0,0,0,0|2,0,0]=4 4151 B9R0.27 CCC(C)C(N)C(=O)NC Amb32666144 [0,2,0,0,0,0|2,0,0]=4 4152 B9R0.27 CCC(C)C(N)C(=O)NC Amb6262886 [0,2,0,0,0,0|2,0,0]=4 4153 B9R0.27 CCC(C)C(N)C(=O)OC Amb1154182 [0,2,0,0,0,0|1,0,0]=3 4154 B9R0.27 CCC(C)C(N)C(=O)OC Amb9703020 [0,2,0,0,0,0|1,0,0]=3 4155 B9R0.27 CCC(C)C(O)C(=O)OC Amb23596600 [0,2,0,0,0,0|2,0,0]=4 4156 B9R0.27 CCC(C)[C@H](N)C(=O)NC Amb17231991 [0,2,0,0,0,0|2,0,0]=4 4157 B9R0.27 CCC(N)C(O)C(=O)OC Amb28555515 [0,2,0,0,0,0|2,0,0]=4 4158 B9R0.27 CCC(O)C(C)C(=O)OC Amb24731247 [0,2,0,0,0,0|2,0,0]=4 4159 B9R0.27 CCC(O)C(N)C(=O)OC Amb18644322 [0,2,0,0,0,0|1,0,0]=3 4160 B9R0.27 CCC(O)[C@@H](N)C(=O)OC Amb28132679 [0,2,0,0,0,0|1,0,0]=3 4161 B9R0.27 CC[C@@H](C)[C@@H](N)C(=O)OC Amb28341323 [0,2,0,0,0,0|1,0,0]=3 4162 B9R0.27 CC[C@@H](C)[C@@H](O)C(=O)OC Amb28138586 [0,2,0,0,0,0|2,0,0]=4 4163 B9R0.27 CC[C@@H](C)[C@H](O)C(=O)OC Amb27484517 [0,2,0,0,0,0|2,0,0]=4 4164 B9R0.27 CC[C@@H](O)[C@H](O)C(=O)OC Amb28065109 [0,2,0,0,0,0|2,0,0]=4 4165 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC Amb22747221 [0,2,0,0,0,0|1,0,0]=3 4166 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC Amb28350478 [0,2,0,0,0,0|1,0,0]=3 4167 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl Amb30633186 [0,2,0,0,0,0|2,0,0]=4 4168 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NC Amb24478007 [0,2,0,0,0,0|2,0,0]=4 4169 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NC Amb33446989 [0,2,0,0,0,0|2,0,0]=4 4170 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NO Amb25146430 [0,2,0,0,0,0|1,0,0]=3 4171 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC Amb533936 [0,2,0,0,0,0|1,0,0]=3 4172 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC Amb8390409 [0,2,0,0,0,0|1,0,0]=3 4173 B9R0.27 CC[C@H](N)C(O)C(=O)OC Amb27759874 [0,2,0,0,0,0|2,0,0]=4 4174 B9R0.27 CC[C@H](N)[C@@H](N)C(=O)OC Amb27985351 [0,2,0,0,0,0|1,0,0]=3 4175 B9R0.27 CC[C@H](N)[C@@H](O)C(=O)OC Amb27768624 [0,2,0,0,0,0|2,0,0]=4 4176 B9R0.27 CC[C@H](O)[C@@H](O)C(=O)OC Amb27839536 [0,2,0,0,0,0|2,0,0]=4 4177 B9R0.27 CC[C@H](O)[C@H](N)C(=O)OC Amb28120015 [0,2,0,0,0,0|1,0,0]=3 4178 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC Amb32723111 [0,2,0,0,0,0|1,1,0]=4 4179 B9R0.27 COC(=O)C(C)C(Cl)OC Amb27878631 [0,2,0,0,0,0|1,1,0]=4 4180 B9R0.27 COC(=O)C(Cl)C(C)OC Amb24373136 [0,2,0,0,0,0|1,1,0]=4 4181 B9R0.27 COC(=O)C(Cl)C(C)SC Amb27185586 [0,2,0,0,0,0|1,0,0]=3 4182 B9R0.27 COC(=O)C(Cl)C(Cl)OC Amb27650703 [0,2,0,0,0,0|1,1,0]=4 4183 B9R0.27 COC(=O)C(N)C(=O)OC Amb2778854 [0,2,0,0,0,0|0,1,1]=4 4184 B9R0.27 COC(=O)C(N)C(=O)OC Amb8517111 [0,2,0,0,0,0|0,1,1]=4 4185 B9R0.27 COC(=O)C(N)C(C)C#N Amb33066140 [0,2,0,0,0,0|2,0,0]=4 4186 B9R0.27 COC(=O)C(N)C(C)CO Amb33066102 [0,2,0,0,0,0|2,0,0]=4 4187 B9R0.27 COC(=O)C(N)C(C)OC Amb25111509 [0,2,0,0,0,0|0,1,0]=3 4188 B9R0.27 COC(=O)C(N)C(O)CCl Amb27436705 [0,2,0,0,0,0|2,0,0]=4 4189 B9R0.27 COC(=O)[C@@H](Cl)[C@@H](C)OC Amb27233550 [0,2,0,0,0,0|1,1,0]=4 4190 B9R0.27 COC(=O)[C@@H](N)C(C)OC Amb27879002 [0,2,0,0,0,0|0,1,0]=3 4191 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC Amb27817562 [0,2,0,0,0,0|0,1,0]=3 4192 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC Amb33483415 [0,2,0,0,0,0|0,1,0]=3 4193 B9R0.27 COC(=O)[C@@H](N)[C@H](C)OC Amb28251917 [0,2,0,0,0,0|0,1,0]=3 4194 B9R0.27 COC(=O)[C@@H](O)[C@@H](C)OC Amb27456964 [0,2,0,0,0,0|1,1,0]=4 4195 B9R0.27 COC(=O)[C@H](Br)[C@@H](C)OC Amb28323609 [0,2,0,0,0,0|1,1,0]=4 4196 B9R0.27 COC(=O)[C@H](Cl)[C@@H](C)OC Amb27798305 [0,2,0,0,0,0|1,1,0]=4 4197 B9R0.27 COC(=O)[C@H](N)[C@@H](C)OC Amb27453476 [0,2,0,0,0,0|0,1,0]=3 4198 B9R0.27 COC(=O)[C@H](O)[C@H](C)OC Amb27752349 [0,2,0,0,0,0|1,1,0]=4 4199 B9R0.28 C#CC(C)C(C)(N)C(=O)O Amb25061187 [0,2,0,0,0,0|1,0,1]=4 4200 B9R0.28 CC(N)(C(=O)O)C(O)CO Amb27393917 [0,2,0,0,0,0|2,0,0]=4 4201 B9R0.28 CCC(C)C(C)(C)C(=O)O Amb26861529 [0,2,0,0,0,0|2,0,0]=4 4202 B9R0.28 CCC(C)C(C)(N)C(=O)O Amb28428774 [0,2,0,0,0,0|1,0,0]=3 4203 B9R0.28 CCC(C)C(C)(N)C(=O)O Amb33733696 [0,2,0,0,0,0|1,0,0]=3 4204 B9R0.28 CCC(C)C(F)(F)C(=O)O Amb32811211 [0,2,0,0,0,0|2,0,0]=4 4205 B9R0.28 CCC(C)C(N)(N)C(=O)O Amb27759305 [0,2,0,0,0,0|1,0,0]=3 4206 B9R0.28 CCC(C)C(O)(O)C(=O)O Amb28314146 [0,2,0,0,0,0|2,0,0]=4 4207 B9R0.28 CCC(F)C(F)(F)C(=O)O Amb32946937 [0,2,0,0,0,0|2,0,0]=4 4208 B9R0.28 CCC(N)C(C)(C)C(=O)O Amb27633803 [0,2,0,0,0,0|2,0,0]=4 4209 B9R0.28 CCC(N)C(F)(F)C(=O)O Amb27389566 [0,2,0,0,0,0|2,0,0]=4 4210 B9R0.28 CCC(O)C(C)(C)C(=O)O Amb18989578 [0,2,0,0,0,0|2,0,0]=4 4211 B9R0.28 CCC(O)C(F)(F)C(=O)O Amb18796752 [0,2,0,0,0,0|2,0,0]=4 4212 B9R0.28 CC[C@@H](C)[C@](C)(N)C(=O)O Amb25946335 [0,2,0,0,0,0|1,0,0]=3 4213 B9R0.28 CC[C@H](C)[C@@](C)(N)C(=O)O Amb27153391 [0,2,0,0,0,0|1,0,0]=3 4214 B9R0.28 CC[C@H](C)[C@](C)(N)C(=O)O Amb24538030 [0,2,0,0,0,0|1,0,0]=3 4215 B9R0.28 CC[C@H](O)[C@@](C)(O)C(=O)O Amb27221818 [0,2,0,0,0,0|2,0,0]=4 4216 B9R0.29 CC(CN)C(CN)C(=O)O Amb27953003 [0,2,0,0,0,0|2,0,0]=4 4217 B9R0.29 CCC(C(=O)O)[C@@H](C)CC Amb28050112 [0,2,0,0,0,0|2,0,0]=4 4218 B9R0.29 CCC(C)C(C#N)C(=O)O Amb28072843 [0,2,0,0,0,0|1,0,1]=4 4219 B9R0.29 CCC(C)C(CN)C(=O)O Amb25978406 [0,2,0,0,0,0|1,0,0]=3 4220 B9R0.29 CCC(C)C(CN)C(N)=O Amb32418136 [0,2,0,0,0,0|2,0,0]=4 4221 B9R0.29 CCC(C)C(N=O)C(=O)O Amb28119173 [0,2,0,0,0,0|1,0,1]=4 4222 B9R0.29 CCC(C)C(NC)C(=O)O Amb33551329 [0,2,0,0,0,0|1,0,0]=3 4223 B9R0.29 CCC(C)C(NC)C(=O)O Amb4018745 [0,2,0,0,0,0|1,0,0]=3 4224 B9R0.29 CCC(C)C(NS)C(=O)O Amb27876164 [0,2,0,0,0,0|1,0,0]=3 4225 B9R0.29 CCC(C)C(OC)C(=O)O Amb24563898 [0,2,0,0,0,0|2,0,0]=4 4226 B9R0.29 CCC(C)C(ON)C(=O)O Amb27494007 [0,2,0,0,0,0|1,0,0]=3 4227 B9R0.29 CCC(C)[C@H](NC)C(=O)O Amb27390153 [0,2,0,0,0,0|1,0,0]=3 4228 B9R0.29 CCC(N)C(CC)C(=O)O Amb28041915 [0,2,0,0,0,0|2,0,0]=4 4229 B9R0.29 CCC(O)C(CC)C(=O)O Amb18310733 [0,2,0,0,0,0|2,0,0]=4 4230 B9R0.29 CCC(O)C(OC)C(=O)O Amb18644355 [0,2,0,0,0,0|2,0,0]=4 4231 B9R0.29 CC[C@H](C(=O)O)[C@H](N)CC Amb27461449 [0,2,0,0,0,0|2,0,0]=4 4232 B9R0.29 CC[C@H](C)[C@@H](OC)C(=O)O Amb28239702 [0,2,0,0,0,0|2,0,0]=4 4233 B9R0.29 CC[C@H](C)[C@H](CC)C(=O)O Amb28340911 [0,2,0,0,0,0|2,0,0]=4 4234 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O Amb16183967 [0,2,0,0,0,0|1,0,0]=3 4235 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O Amb22747123 [0,2,0,0,0,0|1,0,0]=3 4236 B9R0.29 CNC(C(=O)O)C(C)OC Amb24117895 [0,2,0,0,0,0|0,1,0]=3 4237 B9R0.29 CNC(C(N)=O)C(C)OC Amb27191735 [0,2,0,0,0,0|1,1,0]=4 4238 B9R0.29 CN[C@@H](C(=O)O)[C@@H](C)OC Amb33347469 [0,2,0,0,0,0|0,1,0]=3 4239 B9R0.29 COC(=O)C(CN)C(=O)O Amb27235543 [0,2,0,0,0,0|0,1,1]=4 4240 B9R0.29 NCC(C(=O)O)C(O)CF Amb27955957 [0,2,0,0,0,0|2,0,0]=4 4241 B9R0.32 C#CC(C)(C)C(N)C(=O)O Amb27967135 [0,2,0,0,0,0|1,0,1]=4 4242 B9R0.32 C=CC(C)(C)[C@H](N)C(=O)O Amb26904663 [0,2,0,0,0,0|1,0,1]=4 4243 B9R0.32 CC(C)(CCl)[C@H](N)C(=O)O Amb27879456 [0,2,0,0,0,0|2,0,0]=4 4244 B9R0.32 CC(C)(CF)C(N)C(=O)O Amb33376924 [0,2,0,0,0,0|2,0,0]=4 4245 B9R0.32 CC(C)(CO)C(N)C(=O)O Amb17593671 [0,2,0,0,0,0|2,0,0]=4 4246 B9R0.32 CC(C)(CS)C(N)C(=O)O Amb25889914 [0,2,0,0,0,0|2,0,0]=4 4247 B9R0.32 CCC(C)(C)C(C)C(=O)O Amb26991539 [0,2,0,0,0,0|2,0,0]=4 4248 B9R0.32 CCC(C)(C)C(N)C(=O)O Amb27750376 [0,2,0,0,0,0|1,0,0]=3 4249 B9R0.32 CCC(C)(C)C(N)C(=O)O Amb28555548 [0,2,0,0,0,0|1,0,0]=3 4250 B9R0.32 CCC(C)(C)C(O)C(=O)O Amb26603809 [0,2,0,0,0,0|2,0,0]=4 4251 B9R0.32 CCC(C)(C)[C@@H](C)C(=O)O Amb33727263 [0,2,0,0,0,0|2,0,0]=4 4252 B9R0.32 CCC(C)(C)[C@H](C)C(=O)O Amb33744638 [0,2,0,0,0,0|2,0,0]=4 4253 B9R0.32 CCC(C)(C)[C@H](N)C(=O)O Amb34916559 [0,2,0,0,0,0|1,0,0]=3 4254 B9R0.32 CCC(C)(F)C(N)C(=O)O Amb28399318 [0,2,0,0,0,0|1,0,0]=3 4255 B9R0.32 CCC(C)(N)C(C)C(=O)O Amb33036321 [0,2,0,0,0,0|2,0,0]=4 4256 B9R0.32 CCC(C)(N)C(O)C(=O)O Amb27389918 [0,2,0,0,0,0|2,0,0]=4 4257 B9R0.32 CCC(C)(O)C(C)C(=O)O Amb18990593 [0,2,0,0,0,0|2,0,0]=4 4258 B9R0.32 CCC(C)(O)C(Cl)C(=O)O Amb27184930 [0,2,0,0,0,0|2,0,0]=4 4259 B9R0.32 CCC(C)(O)C(O)C(=O)O Amb27810824 [0,2,0,0,0,0|2,0,0]=4 4260 B9R0.32 CCC(F)(F)C(F)C(=O)O Amb32675226 [0,2,0,0,0,0|2,0,0]=4 4261 B9R0.32 CCC(F)(F)C(N)C(=O)O Amb33743871 [0,2,0,0,0,0|1,0,0]=3 4262 B9R0.32 CC[C@@](C)(S)[C@H](N)C(=O)O Amb28067632 [0,2,0,0,0,0|1,0,0]=3 4263 B9R0.32 CC[C@](C)(O)[C@H](O)C(=O)O Amb27615052 [0,2,0,0,0,0|2,0,0]=4 4264 B9R0.32 CNC(C)(C)C(O)C(=O)O Amb27411390 [0,2,0,0,0,0|2,0,0]=4 4265 B9R0.32 COC(C)(C)C(Br)C(=O)O Amb10070092 [0,2,0,0,0,0|1,1,0]=4 4266 B9R0.32 COC(C)(C)C(C)C(=O)O Amb27247404 [0,2,0,0,0,0|1,1,0]=4 4267 B9R0.32 COC(C)(C)C(N)C(=O)O Amb10070091 [0,2,0,0,0,0|0,1,0]=3 4268 B9R0.32 COC(C)(C)C(O)C(=O)O Amb27830980 [0,2,0,0,0,0|1,1,0]=4 4269 B9R0.32 COC(C)(C)C(S)C(=O)O Amb28436888 [0,2,0,0,0,0|1,1,0]=4 4270 B9R0.32 COC(C)(C)[C@@H](N)C(=O)O Amb28250822 [0,2,0,0,0,0|0,1,0]=3 4271 B9R0.32 CSC(C)(C)C(Cl)C(=O)O Amb27863425 [0,2,0,0,0,0|1,0,0]=3 4272 B9R0.32 CSC(C)(C)[C@@H](N)C(=O)O Amb24482204 [0,2,0,0,0,0|0,0,0]=2 4273 B9R0.32 C[C@@](O)(CF)[C@@H](N)C(=O)O Amb24627279 [0,2,0,0,0,0|2,0,0]=4 4274 B9R0.32 C[C@@](O)(CF)[C@H](N)C(=O)O Amb27810949 [0,2,0,0,0,0|2,0,0]=4 4275 B9R0.32 NC(C(=O)O)C(F)(F)CO Amb28071021 [0,2,0,0,0,0|2,0,0]=4 4276 B9R0.41 C=C[C@H](OC)[C@@H](C)C(=O)O Amb27411501 [0,2,0,0,0,0|1,1,0]=4 4277 B9R0.41 CCC(C#N)C(C)C(=O)O Amb35700324 [0,2,0,0,0,0|2,0,0]=4 4278 B9R0.41 CCC(C#N)C(N)C(=O)O Amb33065501 [0,2,0,0,0,0|1,0,0]=3 4279 B9R0.41 CCC(C#N)C(N)C(N)=O Amb32867909 [0,2,0,0,0,0|2,0,0]=4 4280 B9R0.41 CCC(C#N)[C@@H](N)C(=O)O Amb33308678 [0,2,0,0,0,0|1,0,0]=3 4281 B9R0.41 CCC(C#N)[C@H](N)C(=O)O Amb33036453 [0,2,0,0,0,0|1,0,0]=3 4282 B9R0.41 CCC(CC)C(C)C(=O)O Amb18831490 [0,2,0,0,0,0|2,0,0]=4 4283 B9R0.41 CCC(CC)C(N)C(=O)O Amb19375421 [0,2,0,0,0,0|1,0,0]=3 4284 B9R0.41 CCC(CC)C(N)C(=O)O Amb4134815 [0,2,0,0,0,0|1,0,0]=3 4285 B9R0.41 CCC(CC)C(N)C(N)=O Amb18307119 [0,2,0,0,0,0|2,0,0]=4 4286 B9R0.41 CCC(CC)C(O)C(=O)O Amb19013419 [0,2,0,0,0,0|2,0,0]=4 4287 B9R0.41 CCC(CC)[C@@H](C)C(=O)O Amb33730913 [0,2,0,0,0,0|2,0,0]=4 4288 B9R0.41 CCC(CC)[C@@H](N)C(=O)O Amb17612760 [0,2,0,0,0,0|1,0,0]=3 4289 B9R0.41 CCC(CC)[C@H](C)C(=O)O Amb25255941 [0,2,0,0,0,0|2,0,0]=4 4290 B9R0.41 CCC(CC)[C@H](N)C(=O)O Amb17612761 [0,2,0,0,0,0|1,0,0]=3 4291 B9R0.41 CCC(CC)[C@H](N)C(N)=O Amb28120381 [0,2,0,0,0,0|2,0,0]=4 4292 B9R0.41 CCC(CF)C(N)C(=O)O Amb28290093 [0,2,0,0,0,0|1,0,0]=3 4293 B9R0.41 CCC(CN)C(O)C(=O)O Amb24700895 [0,2,0,0,0,0|2,0,0]=4 4294 B9R0.41 CCC(OC)C(C)C(=O)O Amb27413515 [0,2,0,0,0,0|1,1,0]=4 4295 B9R0.41 CCC(OC)C(N)C(=O)O Amb24381341 [0,2,0,0,0,0|0,1,0]=3 4296 B9R0.41 CCC(OC)C(N)C(N)=O Amb27249334 [0,2,0,0,0,0|1,1,0]=4 4297 B9R0.41 CCC(OC)C(O)C(=O)O Amb25695288 [0,2,0,0,0,0|1,1,0]=4 4298 B9R0.41 CC[C@H](CF)[C@H](N)C(=O)O Amb28077201 [0,2,0,0,0,0|1,0,0]=3 4299 B9R0.41 CC[C@H](OC)[C@H](N)C(=O)O Amb27779324 [0,2,0,0,0,0|0,1,0]=3 4300 B9R0.41 COC(CO)C(O)C(=O)O Amb27790653 [0,2,0,0,0,0|1,1,0]=4 4301 B9R0.41 COC(OC)C(C)C(=O)O Amb24401121 [0,2,0,0,0,0|1,1,0]=4 4302 B9R0.41 COC(OC)C(N)C(=O)O Amb27443034 [0,2,0,0,0,0|0,1,0]=3 4303 B9R0.41 COC(OC)C(O)C(=O)O Amb33342039 [0,2,0,0,0,0|1,1,0]=4 4304 B9R0.41 CO[C@H](CO)[C@@H](O)C(=O)O Amb28137968 [0,2,0,0,0,0|1,1,0]=4 4305 B9R0.41 C\C=C(\CO)C(N)C(=O)O Amb27615038 [0,2,0,0,0,0|1,0,1]=4 4306 B9R0.41 N[C@H](C(=O)O)C(CO)CO Amb27655595 [0,2,0,0,0,0|2,0,0]=4 4307 B9R0.79 C=C(C)C(C)C(C)C(=O)O Amb28042819 [0,2,0,0,0,0|2,0,0]=4 4308 B9R0.79 C=C(C)C(N)C(C)C(=O)O Amb33036349 [0,2,0,0,0,0|2,0,0]=4 4309 B9R0.79 C=C(C)C(O)C(C)C(=O)O Amb18644101 [0,2,0,0,0,0|2,0,0]=4 4310 B9R0.79 C=C(C)C(O)C(N)C(=O)O Amb33199606 [0,2,0,0,0,0|1,0,0]=3 4311 B9R0.79 C=C(C)[C@@H](C)[C@@H](C)C(=O)O Amb28050111 [0,2,0,0,0,0|2,0,0]=4 4312 B9R0.79 C=C(C)[C@@H](O)[C@@H](C)C(=O)O Amb28283987 [0,2,0,0,0,0|2,0,0]=4 4313 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,2,0,0,0,0|1,0,0]=3 4314 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,2,0,0,0,0|2,0,0]=4 4315 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,2,0,0,0,0|2,0,0]=4 4316 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,2,0,0,0,0|2,0,0]=4 4317 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,2,0,0,0,0|2,0,0]=4 4318 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,2,0,0,0,0|1,0,0]=3 4319 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,2,0,0,0,0|1,0,0]=3 4320 B9R0.79 CC(C(=O)O)C(C)N(C)C Amb28139119 [0,2,0,0,0,0|2,0,0]=4 4321 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,2,0,0,0,0|2,0,0]=4 4322 B9R0.79 CC(C(F)F)C(N)C(=O)O Amb4442353 [0,2,0,0,0,0|2,0,0]=4 4323 B9R0.79 CC(C(F)F)[C@H](N)C(=O)O Amb27424746 [0,2,0,0,0,0|2,0,0]=4 4324 B9R0.79 CC(C(N)C(=O)O)N(C)C Amb30020664 [0,2,0,0,0,0|1,0,0]=3 4325 B9R0.79 CC(C(N)C(N)=O)N(C)C Amb30036996 [0,2,0,0,0,0|2,0,0]=4 4326 B9R0.79 CC(C)=C(C)C(N)C(=O)O Amb33330058 [0,2,0,0,0,0|1,0,1]=4 4327 B9R0.79 CC(C)=C(C)C(N)C(=O)O Amb33484307 [0,2,0,0,0,0|1,0,1]=4 4328 B9R0.79 CC(C)C(=S)[C@H](N)C(=O)O Amb26586364 [0,2,0,0,0,0|1,0,1]=4 4329 B9R0.79 CC(C)C(C)C(N)C(=O)O Amb26965499 [0,2,0,0,0,0|1,0,0]=3 4330 B9R0.79 CC(C)C(C)C(N)C(N)=O Amb28315989 [0,2,0,0,0,0|2,0,0]=4 4331 B9R0.79 CC(C)C(C)[C@@H](N)C(=O)O Amb28119442 [0,2,0,0,0,0|1,0,0]=3 4332 B9R0.79 CC(C)C(C)[C@H](N)C(=O)O Amb27951299 [0,2,0,0,0,0|1,0,0]=3 4333 B9R0.79 CC(C)C(F)C(N)C(=O)O Amb28071157 [0,2,0,0,0,0|1,0,0]=3 4334 B9R0.79 CC(C)C(F)[C@@H](N)C(=O)O Amb27248487 [0,2,0,0,0,0|1,0,0]=3 4335 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb25863595 [0,2,0,0,0,0|1,0,0]=3 4336 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb33328671 [0,2,0,0,0,0|1,0,0]=3 4337 B9R0.79 CC(C)C(N)C(C)C(=O)O Amb28121227 [0,2,0,0,0,0|2,0,0]=4 4338 B9R0.79 CC(C)C(N)C(F)C(=O)O Amb28385013 [0,2,0,0,0,0|2,0,0]=4 4339 B9R0.79 CC(C)C(N)C(O)C(=O)O Amb27615047 [0,2,0,0,0,0|2,0,0]=4 4340 B9R0.79 CC(C)C(O)C(C)C(=O)O Amb18990636 [0,2,0,0,0,0|2,0,0]=4 4341 B9R0.79 CC(C)C(O)C(F)C(=O)O Amb33136392 [0,2,0,0,0,0|2,0,0]=4 4342 B9R0.79 CC(C)C(O)C(N)C(=O)O Amb23399656 [0,2,0,0,0,0|1,0,0]=3 4343 B9R0.79 CC(C)C(O)C(O)C(=O)O Amb27655491 [0,2,0,0,0,0|2,0,0]=4 4344 B9R0.79 CC(C)C(O)[C@@H](C)C(=O)O Amb27494047 [0,2,0,0,0,0|2,0,0]=4 4345 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O Amb24509492 [0,2,0,0,0,0|1,0,0]=3 4346 B9R0.79 CC(C)C(S)C(N)C(=O)O Amb28076641 [0,2,0,0,0,0|1,0,0]=3 4347 B9R0.79 CC(C)[C@@H](Cl)[C@@H](N)C(=O)O Amb27409092 [0,2,0,0,0,0|1,0,0]=3 4348 B9R0.79 CC(C)[C@@H](O)[C@@H](Br)C(=O)O Amb27394249 [0,2,0,0,0,0|2,0,0]=4 4349 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O Amb27874042 [0,2,0,0,0,0|2,0,0]=4 4350 B9R0.79 CC(C)[C@@H](O)[C@H](C)C(=O)O Amb28347218 [0,2,0,0,0,0|2,0,0]=4 4351 B9R0.79 CC(C)[C@H](Cl)[C@@H](N)C(=O)O Amb27796326 [0,2,0,0,0,0|1,0,0]=3 4352 B9R0.79 CC(C)[C@H](N)[C@H](C)C(=O)O Amb27216704 [0,2,0,0,0,0|2,0,0]=4 4353 B9R0.79 CC(C)[C@H](N)[C@H](O)C(=O)O Amb25147282 [0,2,0,0,0,0|2,0,0]=4 4354 B9R0.79 CC(C)[C@H](O)[C@@H](C)C(=O)O Amb10844253 [0,2,0,0,0,0|2,0,0]=4 4355 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Amb10807407 [0,2,0,0,0,0|1,0,0]=3 4356 B9R0.79 CC(C)[C@H](O)[C@H](C)C(=O)O Amb28346279 [0,2,0,0,0,0|2,0,0]=4 4357 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Amb26333625 [0,2,0,0,0,0|1,0,0]=3 4358 B9R0.79 CC(C)[C@H](O)[C@H](O)C(=O)O Amb28050049 [0,2,0,0,0,0|2,0,0]=4 4359 B9R0.79 CC(Cl)C(C)C(N)C(=O)O Amb27838066 [0,2,0,0,0,0|1,0,0]=3 4360 B9R0.79 CC(F)C(C)C(Br)C(=O)O Amb28050032 [0,2,0,0,0,0|2,0,0]=4 4361 B9R0.79 CC(F)C(C)C(N)C(=O)O Amb28041913 [0,2,0,0,0,0|1,0,0]=3 4362 B9R0.79 CC(N)C(O)C(C)C(=O)O Amb25870814 [0,2,0,0,0,0|2,0,0]=4 4363 B9R0.79 CC(O)C(C)C(C)C(=O)O Amb28059349 [0,2,0,0,0,0|2,0,0]=4 4364 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,2,0,0,0,0|1,0,0]=3 4365 B9R0.79 CC(O)C(C)C(N)C(N)=O Amb33036679 [0,2,0,0,0,0|2,0,0]=4 4366 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,2,0,0,0,0|1,0,0]=3 4367 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,2,0,0,0,0|1,0,0]=3 4368 B9R0.79 CC(O)C(O)C(N)C(=O)O Amb27210841 [0,2,0,0,0,0|1,0,0]=3 4369 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,2,0,0,0,0|1,0,0]=3 4370 B9R0.79 CC(S)C(C)C(N)C(=O)O Amb27241739 [0,2,0,0,0,0|1,0,0]=3 4371 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,2,0,0,0,0|2,0,0]=4 4372 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,2,0,0,0,0|2,0,0]=4 4373 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,2,0,0,0,0|2,0,0]=4 4374 B9R0.79 C[C@@H](O)[C@H](C)[C@@H](N)C(=O)O Amb27252085 [0,2,0,0,0,0|1,0,0]=3 4375 B9R0.79 C[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb17615448 [0,2,0,0,0,0|1,0,0]=3 4376 B9R0.79 C[C@@H]([C@@H](O)C(=O)O)N(C)C Amb28364201 [0,2,0,0,0,0|2,0,0]=4 4377 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,2,0,0,0,0|2,0,0]=4 4378 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,2,0,0,0,0|2,0,0]=4 4379 B9R0.79 C[C@H](N)[C@@H](O)[C@@H](C)C(=O)O Amb27845316 [0,2,0,0,0,0|2,0,0]=4 4380 B9R0.79 C[C@H](O)[C@@H](C)[C@@H](N)C(=O)O Amb27655509 [0,2,0,0,0,0|1,0,0]=3 4381 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27595659 [0,2,0,0,0,0|1,0,0]=3 4382 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(=O)O Amb27592166 [0,2,0,0,0,0|2,0,0]=4 4383 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O Amb25693814 [0,2,0,0,0,0|1,0,0]=3 4384 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,2,0,0,0,0|2,0,0]=4 4385 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,2,0,0,0,0|2,0,0]=4 4386 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,2,0,0,0,0|2,0,0]=4 4387 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,2,0,0,0,0|2,0,0]=4 4388 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,2,0,0,0,0|2,0,0]=4 4389 B9R0.79 NC(C(=O)O)C(O)C(Cl)Cl Amb27837948 [0,2,0,0,0,0|2,0,0]=4 4390 B9R0.79 NC(C(=O)O)C(O)C(F)F Amb19148422 [0,2,0,0,0,0|2,0,0]=4 4391 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,2,0,0,0,0|2,0,0]=4 4392 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,2,0,0,0,0|2,0,0]=4 4393 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(Cl)Cl Amb27792191 [0,2,0,0,0,0|2,0,0]=4 4394 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,2,0,0,0,0|2,0,0]=4 4395 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(F)F Amb25940794 [0,2,0,0,0,0|2,0,0]=4 4396 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,2,0,0,0,0|2,0,0]=4 4397 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,2,0,0,0,0|2,0,0]=4 4398 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,2,0,0,0,0|2,0,0]=4 4399 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,2,0,0,0,0|2,0,0]=4 4400 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,2,0,0,0,0|2,0,0]=4 4401 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(F)F Amb26336091 [0,2,0,0,0,0|2,0,0]=4 4402 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,2,0,0,0,0|2,0,0]=4 4403 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,2,0,0,0,0|2,0,0]=4 4404 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,2,0,0,0,0|2,0,0]=4 4405 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,2,0,0,0,0|2,0,0]=4 4406 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,2,0,0,0,0|2,0,0]=4 4407 B9R0.8 C#CC(=O)C(N)CCOC Amb27404711 [0,2,0,0,0,0|1,1,0]=4 4408 B9R0.8 C#CCCC(N)C(=O)OC Amb28135954 [0,2,0,0,0,0|1,0,1]=4 4409 B9R0.8 C#CCC[C@H](N)C(=O)OC Amb27640594 [0,2,0,0,0,0|1,0,1]=4 4410 B9R0.8 C=C(CSCC)C(=O)OC Amb28050304 [0,2,0,0,0,0|1,0,1]=4 4411 B9R0.8 C=C=CCC(N)C(=O)OC Amb28046380 [0,2,0,0,0,0|1,0,1]=4 4412 B9R0.8 C=CC(=O)C(N)CCCC Amb28050432 [0,2,0,0,0,0|2,0,0]=4 4413 B9R0.8 C=CC(=O)C(N)CCOC Amb27252812 [0,2,0,0,0,0|1,1,0]=4 4414 B9R0.8 C=CCCC(N)C(=O)OC Amb27866671 [0,2,0,0,0,0|1,0,1]=4 4415 B9R0.8 C=CCCC(N)C(=O)OC Amb32794772 [0,2,0,0,0,0|1,0,1]=4 4416 B9R0.8 C=CCC[C@@H](N)C(=O)OC Amb27389875 [0,2,0,0,0,0|1,0,1]=4 4417 B9R0.8 C=CCC[C@H](N)C(=O)OC Amb28134398 [0,2,0,0,0,0|1,0,1]=4 4418 B9R0.8 CC#CCC(N)C(=O)OC Amb25076019 [0,2,0,0,0,0|1,0,0]=3 4419 B9R0.8 CCC(=O)C(N)CCOC Amb28423088 [0,2,0,0,0,0|1,1,0]=4 4420 B9R0.8 CCCCC(Br)C(=O)OC Amb19514695 [0,2,0,0,0,0|2,0,0]=4 4421 B9R0.8 CCCCC(N)C(=O)NN Amb27654302 [0,2,0,0,0,0|2,0,0]=4 4422 B9R0.8 CCCCC(N)C(=O)NO Amb22059372 [0,2,0,0,0,0|1,0,0]=3 4423 B9R0.8 CCCCC(N)C(=O)OC Amb9330294 [0,2,0,0,0,0|1,0,0]=3 4424 B9R0.8 CCCCC(N)C(=O)OC Amb9825492 [0,2,0,0,0,0|1,0,0]=3 4425 B9R0.8 CCCCC(N)\C(O)=N\O Amb20669518 [0,2,0,0,0,0|1,0,1]=4 4426 B9R0.8 CCCCC(O)C(=O)CO Amb27434084 [0,2,0,0,0,0|2,0,0]=4 4427 B9R0.8 CCCCC(S)C(=O)OC Amb24745120 [0,2,0,0,0,0|2,0,0]=4 4428 B9R0.8 CCCCN(N)C(=O)OC Amb33191487 [0,2,0,0,0,0|2,0,0]=4 4429 B9R0.8 CCCC[C@@H](C)C(=O)OC Amb27172534 [0,2,0,0,0,0|2,0,0]=4 4430 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb16183949 [0,2,0,0,0,0|1,0,0]=3 4431 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb22745342 [0,2,0,0,0,0|1,0,0]=3 4432 B9R0.8 CCCC[C@H](Cl)C(=O)OC Amb27823590 [0,2,0,0,0,0|2,0,0]=4 4433 B9R0.8 CCCC[C@H](N)C(=O)OC Amb22169631 [0,2,0,0,0,0|1,0,0]=3 4434 B9R0.8 CCCC[C@H](N)C(=O)OC Amb26391986 [0,2,0,0,0,0|1,0,0]=3 4435 B9R0.8 CCCC[C@H](O)C(=O)OC Amb27589932 [0,2,0,0,0,0|2,0,0]=4 4436 B9R0.8 CCCNC(C)C(=O)OC Amb25350065 [0,2,0,0,0,0|2,0,0]=4 4437 B9R0.8 CCCNC(C)C(=O)OC Amb32751764 [0,2,0,0,0,0|2,0,0]=4 4438 B9R0.8 CCCN[C@H](C)C(=O)OC Amb27812247 [0,2,0,0,0,0|2,0,0]=4 4439 B9R0.8 CCCO[C@H](C)C(=O)OC Amb28145144 [0,2,0,0,0,0|2,0,0]=4 4440 B9R0.8 CCNCC(C)C(=O)OC Amb9400286 [0,2,0,0,0,0|2,0,0]=4 4441 B9R0.8 CCNCC(I)C(=O)OC Amb27839610 [0,2,0,0,0,0|2,0,0]=4 4442 B9R0.8 CCOCC(Br)C(=O)OC Amb27443366 [0,2,0,0,0,0|1,1,0]=4 4443 B9R0.8 CCOCC(N)C(=O)OC Amb26578258 [0,2,0,0,0,0|0,1,0]=3 4444 B9R0.8 CCOC[C@@H](N)C(=O)OC Amb24478281 [0,2,0,0,0,0|0,1,0]=3 4445 B9R0.8 CCOC[C@H](N)C(=O)OC Amb26047386 [0,2,0,0,0,0|0,1,0]=3 4446 B9R0.8 CCSCC(Br)C(=O)OC Amb28424307 [0,2,0,0,0,0|1,0,0]=3 4447 B9R0.8 CCSCC(C)C(=O)NN Amb27815660 [0,2,0,0,0,0|2,0,0]=4 4448 B9R0.8 CCSCC(Cl)C(=O)OC Amb27454062 [0,2,0,0,0,0|1,0,0]=3 4449 B9R0.8 CCSCC(N)C(=O)NC Amb27199796 [0,2,0,0,0,0|1,0,0]=3 4450 B9R0.8 CCSCC(N)C(=O)OC Amb18788226 [0,2,0,0,0,0|0,0,0]=2 4451 B9R0.8 CCSCC(O)C(=O)OC Amb27881455 [0,2,0,0,0,0|1,0,0]=3 4452 B9R0.8 CC\C=C\C(N)C(=O)OC Amb33268687 [0,2,0,0,0,0|1,0,1]=4 4453 B9R0.8 CNC(=O)C(N)CCOC Amb18311406 [0,2,0,0,0,0|1,1,0]=4 4454 B9R0.8 CNC(=O)C(N)CCSC Amb23443538 [0,2,0,0,0,0|1,0,0]=3 4455 B9R0.8 CNC(=O)C(N)CCSC Amb32666291 [0,2,0,0,0,0|1,0,0]=3 4456 B9R0.8 CNC(=O)[C@@H](N)CCSC Amb17232422 [0,2,0,0,0,0|1,0,0]=3 4457 B9R0.8 CNC(=O)[C@@H](N)CCSC Amb32653153 [0,2,0,0,0,0|1,0,0]=3 4458 B9R0.8 CNC(=O)[C@H](N)CCSC Amb27600839 [0,2,0,0,0,0|1,0,0]=3 4459 B9R0.8 CNCCC(N)C(=O)OC Amb32993440 [0,2,0,0,0,0|1,0,0]=3 4460 B9R0.8 COC(=O)C(Br)CCCBr Amb10071878 [0,2,0,0,0,0|2,0,0]=4 4461 B9R0.8 COC(=O)C(C)CCCCl Amb27626035 [0,2,0,0,0,0|2,0,0]=4 4462 B9R0.8 COC(=O)C(C)CCCN Amb25904967 [0,2,0,0,0,0|2,0,0]=4 4463 B9R0.8 COC(=O)C(C)CSSC Amb27969893 [0,2,0,0,0,0|1,0,0]=3 4464 B9R0.8 COC(=O)C(Cl)CCSC Amb18327893 [0,2,0,0,0,0|1,0,0]=3 4465 B9R0.8 COC(=O)C(N)CCC#N Amb28076162 [0,2,0,0,0,0|1,0,1]=4 4466 B9R0.8 COC(=O)C(N)CCCF Amb26857313 [0,2,0,0,0,0|1,0,0]=3 4467 B9R0.8 COC(=O)C(N)CCCN Amb9871379 [0,2,0,0,0,0|1,0,0]=3 4468 B9R0.8 COC(=O)C(N)CCCO Amb18644325 [0,2,0,0,0,0|1,0,0]=3 4469 B9R0.8 COC(=O)C(N)CCCS Amb27974600 [0,2,0,0,0,0|1,0,0]=3 4470 B9R0.8 COC(=O)C(N)CCSC Amb1152979 [0,2,0,0,0,0|0,0,0]=2 4471 B9R0.8 COC(=O)C(N)CCSC Amb2720119 [0,2,0,0,0,0|0,0,0]=2 4472 B9R0.8 COC(=O)C(N)CNC=O Amb28077501 [0,2,0,0,0,0|1,0,1]=4 4473 B9R0.8 COC(=O)C(N)CSC#N Amb27799581 [0,2,0,0,0,0|0,0,1]=3 4474 B9R0.8 COC(=O)C(N)C\C=C\Cl Amb33066166 [0,2,0,0,0,0|1,0,1]=4 4475 B9R0.8 COC(=O)C(O)CCCBr Amb24759864 [0,2,0,0,0,0|2,0,0]=4 4476 B9R0.8 COC(=O)C(O)CCCCl Amb24480606 [0,2,0,0,0,0|2,0,0]=4 4477 B9R0.8 COC(=O)C(O)CCCF Amb33196109 [0,2,0,0,0,0|2,0,0]=4 4478 B9R0.8 COC(=O)C(O)CCSC Amb18800831 [0,2,0,0,0,0|1,0,0]=3 4479 B9R0.8 COC(=O)C(S)CCCCl Amb27984780 [0,2,0,0,0,0|2,0,0]=4 4480 B9R0.8 COC(=O)[C@@H](N)CCCN Amb16236222 [0,2,0,0,0,0|1,0,0]=3 4481 B9R0.8 COC(=O)[C@@H](N)CCCO Amb27260220 [0,2,0,0,0,0|1,0,0]=3 4482 B9R0.8 COC(=O)[C@@H](N)CCON Amb27856127 [0,2,0,0,0,0|1,1,0]=4 4483 B9R0.8 COC(=O)[C@@H](N)CCSC Amb533934 [0,2,0,0,0,0|0,0,0]=2 4484 B9R0.8 COC(=O)[C@@H](N)CCSC Amb8390413 [0,2,0,0,0,0|0,0,0]=2 4485 B9R0.8 COC(=O)[C@@H](O)CCSC Amb28066926 [0,2,0,0,0,0|1,0,0]=3 4486 B9R0.8 COC(=O)[C@H](N)CCSC Amb3939028 [0,2,0,0,0,0|0,0,0]=2 4487 B9R0.8 COC(=O)[C@H](N)CCSC Amb9826085 [0,2,0,0,0,0|0,0,0]=2 4488 B9R0.8 COC(=O)[C@H](O)CCCO Amb27766582 [0,2,0,0,0,0|2,0,0]=4 4489 B9R0.8 COC(=O)[C@H](O)CCSC Amb28207376 [0,2,0,0,0,0|1,0,0]=3 4490 B9R0.8 COC(=O)\C(C)=C\CSC Amb28349877 [0,2,0,0,0,0|1,0,1]=4 4491 B9R0.8 COCCC(N)C(=O)OC Amb24053179 [0,2,0,0,0,0|0,1,0]=3 4492 B9R0.8 COCCC(N)C(=O)OC Amb28555457 [0,2,0,0,0,0|0,1,0]=3 4493 B9R0.8 COCCC(O)C(=O)OC Amb26933750 [0,2,0,0,0,0|1,1,0]=4 4494 B9R0.8 COCC[C@H](N)C(=O)OC Amb27880632 [0,2,0,0,0,0|0,1,0]=3 4495 B9R0.8 COCNC(C)C(=O)OC Amb27838101 [0,2,0,0,0,0|1,1,0]=4 4496 B9R0.8 COCSC(C)C(=O)OC Amb27204212 [0,2,0,0,0,0|1,1,0]=4 4497 B9R0.8 CONC[C@@H](O)C(=O)OC Amb28078805 [0,2,0,0,0,0|1,1,0]=4 4498 B9R0.8 CSCCC(N)C(=O)NN Amb27982597 [0,2,0,0,0,0|1,0,0]=3 4499 B9R0.8 CSCCC(N)C(=O)NO Amb22349956 [0,2,0,0,0,0|0,0,0]=2 4500 B9R0.8 CSCCC(N)C(=O)[SH]=O Amb27437886 [0,2,0,0,0,0|0,0,1]=3 4501 B9R0.8 CSCCC(O)C(=O)NO Amb28188916 [0,2,0,0,0,0|1,0,0]=3 4502 B9R0.8 CSCC[C@@H](N)C(=O)NO Amb27592841 [0,2,0,0,0,0|0,0,0]=2 4503 B9R0.8 CSCC[C@@H](N)C(=O)[SH]=O Amb28291640 [0,2,0,0,0,0|0,0,1]=3 4504 B9R0.8 CSCC[C@H](N)C(=O)NN Amb28290232 [0,2,0,0,0,0|1,0,0]=3 4505 B9R0.8 CSCC[C@H](N)C(=O)NO Amb26846759 [0,2,0,0,0,0|0,0,0]=2 4506 B9R0.8 CSCC[C@H](N)C(=O)O[Zn+] Amb20241025 [0,2,0,0,0,0|0,0,0]=2 4507 B9R0.8 C\C=C\CC(N)C(=O)OC Amb26348150 [0,2,0,0,0,0|1,0,0]=3 4508 B9R0.8 C\C=C\CC(O)C(=O)OC Amb27588872 [0,2,0,0,0,0|2,0,0]=4 4509 B9R0.8 C\C=C\C[C@@H](N)C(=O)OC Amb27169570 [0,2,0,0,0,0|1,0,0]=3 4510 B9R0.8 O=C(CO)[C@H](O)CCCO Amb27427126 [0,2,0,0,0,0|2,0,0]=4 4511 B9R0.12 CCCC(CC)C(=O)OC Amb26855569 [0,2,0,0,0,0|2,0,0]=4 4512 B9R0.12 CCCC(CN)C(=O)NO Amb27185504 [0,2,0,0,0,0|1,0,0]=3 4513 B9R0.12 CCCC(CN)C(=O)OC Amb26516612 [0,2,0,0,0,0|1,0,0]=3 4514 B9R0.12 CCCC(CN)C(O)C=O Amb25100106 [0,2,0,0,0,0|1,0,1]=4 4515 B9R0.12 CCCC(NC)C(=O)OC Amb24116637 [0,2,0,0,0,0|1,0,0]=3 4516 B9R0.12 CCCC(NC)C(=O)OC Amb33735073 [0,2,0,0,0,0|1,0,0]=3 4517 B9R0.12 CCC[C@H](CN)C(=O)OC Amb27655535 [0,2,0,0,0,0|1,0,0]=3 4518 B9R0.12 CCC[C@H](NC)C(=O)OC Amb25980086 [0,2,0,0,0,0|1,0,0]=3 4519 B9R0.12 CCNC(CN)C(=O)OC Amb27830264 [0,2,0,0,0,0|2,0,0]=4 4520 B9R0.12 CNC(COC)C(=O)OC Amb20630218 [0,2,0,0,0,0|0,1,0]=3 4521 B9R0.12 CNC(CSC)C(=O)OC Amb18788231 [0,2,0,0,0,0|0,0,0]=2 4522 B9R0.12 CNCC(NC)C(=O)OC Amb27858921 [0,2,0,0,0,0|1,0,0]=3 4523 B9R0.12 COC(=O)C(CN)CCF Amb33196108 [0,2,0,0,0,0|2,0,0]=4 4524 B9R0.12 COC(=O)C(CN)CSC Amb33271729 [0,2,0,0,0,0|0,0,0]=2 4525 B9R0.12 COCC(CN)C(=O)OC Amb33428674 [0,2,0,0,0,0|0,1,0]=3 4526 B9R0.12 COCC(ON)C(=O)OC Amb32657119 [0,2,0,0,0,0|0,1,0]=3 4527 B9R0.12 COCC(ON)C(=O)OC Amb32670789 [0,2,0,0,0,0|0,1,0]=3 4528 B9R0.12 [C-]#[N+]C(CCC)C(=O)OC Amb2688986 [0,2,0,0,0,0|1,0,1]=4 4529 B9R0.12 [C-]#[N+]C(CSC)C(=O)OC Amb2688974 [0,2,0,0,0,0|0,0,1]=3 4530 B9R0.12 [C-]#[N+][C@@H](CCC)C(=O)OC Amb33747505 [0,2,0,0,0,0|1,0,1]=4 4531 B9R0.12 [C-]#[N+][C@H](CCC)C(=O)OC Amb33747252 [0,2,0,0,0,0|1,0,1]=4 4532 B9R0.19 CCC[C@@H](N)P(=O)(O)OC Amb27425041 [0,2,0,0,0,0|2,0,0]=4 4533 B9R0.19 COC(C)(C)C(N)CSC Amb27883197 [0,2,0,0,0,0|1,0,1]=4 4534 B9R0.35 C#CCC(=O)C(N)COC Amb28058249 [0,2,0,0,0,0|1,1,0]=4 4535 B9R0.35 C#CCC(N)C(=O)COC Amb27266124 [0,2,0,0,0,0|1,0,1]=4 4536 B9R0.35 C#CCC(N)C(=O)OCC Amb28250333 [0,2,0,0,0,0|1,0,1]=4 4537 B9R0.35 C#CCC(N)C(=O)OCC Amb33801564 [0,2,0,0,0,0|1,0,1]=4 4538 B9R0.35 C=C(COC)C(N)CSC Amb28399672 [0,2,0,0,0,0|1,0,0]=3 4539 B9R0.35 C=CCC(=O)C(C)CSC Amb27664394 [0,2,0,0,0,0|2,0,0]=4 4540 B9R0.35 C=CCC(=O)C(N)CCC Amb27866592 [0,2,0,0,0,0|2,0,0]=4 4541 B9R0.35 C=CCC(N)C(=O)COC Amb28069161 [0,2,0,0,0,0|1,0,1]=4 4542 B9R0.35 C=CCC(N)C(=O)OCC Amb18643996 [0,2,0,0,0,0|1,0,1]=4 4543 B9R0.35 C=CC[C@@H](N)C(=O)OCC Amb27626026 [0,2,0,0,0,0|1,0,1]=4 4544 B9R0.35 C=CC[C@H](N)C(=O)OCC Amb16184031 [0,2,0,0,0,0|1,0,1]=4 4545 B9R0.35 CCCC(Br)C(=O)OCC Amb3939966 [0,2,0,0,0,0|2,0,0]=4 4546 B9R0.35 CCCC(C)C(=O)COC Amb27646174 [0,2,0,0,0,0|2,0,0]=4 4547 B9R0.35 CCCC(C)C(=O)OCC Amb9273976 [0,2,0,0,0,0|2,0,0]=4 4548 B9R0.35 CCCC(Cl)C(=O)OCC Amb18800860 [0,2,0,0,0,0|2,0,0]=4 4549 B9R0.35 CCCC(N)C(=O)NC#N Amb27985789 [0,2,0,0,0,0|2,0,0]=4 4550 B9R0.35 CCCC(N)C(=O)NCC Amb9514806 [0,2,0,0,0,0|2,0,0]=4 4551 B9R0.35 CCCC(N)C(=O)OCC Amb9494880 [0,2,0,0,0,0|1,0,0]=3 4552 B9R0.35 CCCC(O)C(=O)COC Amb28124413 [0,2,0,0,0,0|2,0,0]=4 4553 B9R0.35 CCCC(O)C(=O)OCC Amb22350176 [0,2,0,0,0,0|2,0,0]=4 4554 B9R0.35 CCCN(N)C(=O)COC Amb33191582 [0,2,0,0,0,0|2,0,0]=4 4555 B9R0.35 CCCN(N)C(=O)OCC Amb18644276 [0,2,0,0,0,0|2,0,0]=4 4556 B9R0.35 CCC[C@@H](N)C(=O)OCC Amb8385904 [0,2,0,0,0,0|1,0,0]=3 4557 B9R0.35 CCC[C@H](N)C(=O)OCC Amb16233901 [0,2,0,0,0,0|1,0,0]=3 4558 B9R0.35 CCC[C@H](N)C(=O)OCC Amb22747761 [0,2,0,0,0,0|1,0,0]=3 4559 B9R0.35 CCC[C@H](O)C(=O)OCC Amb27750209 [0,2,0,0,0,0|2,0,0]=4 4560 B9R0.35 CCNC(=O)C(C)CSC Amb27809040 [0,2,0,0,0,0|2,0,0]=4 4561 B9R0.35 CCNC(=O)C(N)CSC Amb27445478 [0,2,0,0,0,0|1,0,0]=3 4562 B9R0.35 CCOC(=O)C(Br)COC Amb27390121 [0,2,0,0,0,0|1,1,0]=4 4563 B9R0.35 CCOC(=O)C(C)CNC Amb19650921 [0,2,0,0,0,0|2,0,0]=4 4564 B9R0.35 CCOC(=O)C(N)CC#N Amb24478946 [0,2,0,0,0,0|2,0,0]=4 4565 B9R0.35 CCOC(=O)C(N)CCBr Amb27231542 [0,2,0,0,0,0|2,0,0]=4 4566 B9R0.35 CCOC(=O)C(N)CCF Amb27837851 [0,2,0,0,0,0|2,0,0]=4 4567 B9R0.35 CCOC(=O)C(N)CCN Amb27461329 [0,2,0,0,0,0|2,0,0]=4 4568 B9R0.35 CCOC(=O)C(N)CCO Amb25938154 [0,2,0,0,0,0|2,0,0]=4 4569 B9R0.35 CCOC(=O)C(N)CNC Amb28340532 [0,2,0,0,0,0|1,0,0]=3 4570 B9R0.35 CCOC(=O)C(N)COC Amb26329668 [0,2,0,0,0,0|0,1,0]=3 4571 B9R0.35 CCOC(=O)C(N)COC Amb32753548 [0,2,0,0,0,0|0,1,0]=3 4572 B9R0.35 CCOC(=O)C(N)CSC Amb18788230 [0,2,0,0,0,0|0,0,0]=2 4573 B9R0.35 CCOC(=O)C(N)CSC Amb22043437 [0,2,0,0,0,0|0,0,0]=2 4574 B9R0.35 CCOC(=O)C(O)COC Amb23454621 [0,2,0,0,0,0|1,1,0]=4 4575 B9R0.35 CCOC(=O)[C@@H](N)CCO Amb27200225 [0,2,0,0,0,0|2,0,0]=4 4576 B9R0.35 CCOC(=O)[C@@H](N)COC Amb25789465 [0,2,0,0,0,0|0,1,0]=3 4577 B9R0.35 CCOC(=O)[C@@H](N)COC Amb32680752 [0,2,0,0,0,0|0,1,0]=3 4578 B9R0.35 CCOC(=O)[C@@H](N)CSC Amb28286141 [0,2,0,0,0,0|0,0,0]=2 4579 B9R0.35 CCOC(=O)[C@@H](N)CSC Amb33484126 [0,2,0,0,0,0|0,0,0]=2 4580 B9R0.35 CCOC(=O)[C@@H](N)CSO Amb27597469 [0,2,0,0,0,0|1,0,0]=3 4581 B9R0.35 CCOC(=O)[C@H](N)CC#N Amb27830682 [0,2,0,0,0,0|2,0,0]=4 4582 B9R0.35 CCOC(=O)[C@H](N)CCO Amb25195256 [0,2,0,0,0,0|2,0,0]=4 4583 B9R0.60 C#CC[C@](C)(N)C(=O)OC Amb27476131 [0,2,0,0,0,0|1,0,1]=4 4584 B9R0.60 C=CC(=O)C(C)(N)COC Amb27625927 [0,2,0,0,0,0|1,1,0]=4 4585 B9R0.60 C=CC[C@@](C)(N)C(=O)OC Amb25727300 [0,2,0,0,0,0|1,0,1]=4 4586 B9R0.60 C=CC[C@](C)(N)C(=O)OC Amb24409438 [0,2,0,0,0,0|1,0,1]=4 4587 B9R0.60 CCC(=O)C(C)(N)COC Amb27822991 [0,2,0,0,0,0|1,1,0]=4 4588 B9R0.60 CCCC(C)(Br)C(=O)OC Amb27204183 [0,2,0,0,0,0|2,0,0]=4 4589 B9R0.60 CCCC(C)(C)C(=O)OC Amb24384858 [0,2,0,0,0,0|2,0,0]=4 4590 B9R0.60 CCCC(C)(N)C(=O)CC Amb27393264 [0,2,0,0,0,0|2,0,0]=4 4591 B9R0.60 CCCC(C)(N)C(=O)NN Amb27947780 [0,2,0,0,0,0|2,0,0]=4 4592 B9R0.60 CCCC(C)(N)C(=O)OC Amb6892573 [0,2,0,0,0,0|1,0,0]=3 4593 B9R0.60 CCCC(C)(N)C(=O)OC Amb9280965 [0,2,0,0,0,0|1,0,0]=3 4594 B9R0.60 CCCC(C)(O)C(=O)OC Amb24116804 [0,2,0,0,0,0|2,0,0]=4 4595 B9R0.60 CCCC(F)(F)C(=O)OC Amb28049353 [0,2,0,0,0,0|2,0,0]=4 4596 B9R0.60 CNCC(C)(C)C(=O)OC Amb18124746 [0,2,0,0,0,0|2,0,0]=4 4597 B9R0.60 CNCC(C)(O)C(=O)OC Amb27617004 [0,2,0,0,0,0|2,0,0]=4 4598 B9R0.60 COC(=O)C(C)(C)CSC Amb27864870 [0,2,0,0,0,0|1,0,0]=3 4599 B9R0.60 COC(=O)C(C)(N)CCF Amb32665196 [0,2,0,0,0,0|2,0,0]=4 4600 B9R0.60 COC(=O)C(C)(N)CCO Amb28282672 [0,2,0,0,0,0|2,0,0]=4 4601 B9R0.60 COC(=O)C(C)(N)CCS Amb28071251 [0,2,0,0,0,0|2,0,0]=4 4602 B9R0.60 COC(=O)C(C)(N)CSC Amb18788228 [0,2,0,0,0,0|0,0,0]=2 4603 B9R0.60 COCC(C)(C)C(=O)NO Amb27753666 [0,2,0,0,0,0|1,1,0]=4 4604 B9R0.60 COCC(C)(C)C(=O)OC Amb27950477 [0,2,0,0,0,0|1,1,0]=4 4605 B9R0.60 COCC(C)(N)C(=O)OC Amb20630217 [0,2,0,0,0,0|0,1,0]=3 4606 B9R0.60 COCC(C)(O)C(=O)OC Amb19309737 [0,2,0,0,0,0|1,1,0]=4 4607 B9R0.60 COCC(F)(F)C(=O)OC Amb2689416 [0,2,0,0,0,0|1,1,0]=4 4608 B9R0.60 CSCC(C)(C)C(=O)NN Amb27623114 [0,2,0,0,0,0|2,0,0]=4 4609 B9R0.60 CSCC(C)(C)\C(N)=N\O Amb35731306 [0,2,0,0,0,0|2,0,0]=4 4610 B9R0.60 CSCC(F)(F)C(=O)NN Amb33170887 [0,2,0,0,0,0|2,0,0]=4 4611 B9R0.3 CCCCC(N)P(C)(=O)O Amb27863006 [0,2,0,0,0,0|2,0,0]=4 4612 B9R0.3 CCCCC(N)S(=O)(=O)O Amb27229977 [0,2,0,0,0,0|2,0,0]=4 4613 B9R0.3 CSCCC(N)C(C)(C)O Amb26851421 [0,2,0,0,0,0|1,0,1]=4 4614 B9R0.3 CSCCC(N)P(=O)(O)O Amb26427856 [0,2,0,0,0,0|1,0,0]=3 4615 B9R0.3 CSCCC(N)S(=O)(=O)O Amb28142834 [0,2,0,0,0,0|1,0,0]=3 4616 B9R0.3 CSCC[C@@H](N)C(C)(C)O Amb22406055 [0,2,0,0,0,0|1,0,1]=4 4617 B9R0.3 CSCC[C@@H](N)C(C)(C)O Amb24712389 [0,2,0,0,0,0|1,0,1]=4 4618 B9R0.3 CSCC[C@@H](N)P(=O)(O)O Amb28457689 [0,2,0,0,0,0|1,0,0]=3 4619 B9R0.3 CSCC[C@H](N)C(C)(C)O Amb25118779 [0,2,0,0,0,0|1,0,1]=4 4620 B9R0.3 CSCC[C@H](N)C(C)(C)O Amb31204698 [0,2,0,0,0,0|1,0,1]=4 4621 B9R0.3 CSCC[C@H](N)P(=O)(O)O Amb28396596 [0,2,0,0,0,0|1,0,0]=3 4622 B9R0.7 C=C(C)C(N)CSC(C)C Amb27828261 [0,2,0,0,0,0|2,0,0]=4 4623 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [0,2,0,0,0,0|2,0,0]=4 4624 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [0,2,0,0,0,0|1,0,0]=3 4625 B9R0.7 C=C(C)CCC(N)C(N)=O Amb27188568 [0,2,0,0,0,0|2,0,0]=4 4626 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [0,2,0,0,0,0|2,0,0]=4 4627 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [0,2,0,0,0,0|1,0,0]=3 4628 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [0,2,0,0,0,0|1,0,0]=3 4629 B9R0.7 C=C(C)CSC(C)C(=O)O Amb6263518 [0,2,0,0,0,0|2,0,0]=4 4630 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [0,2,0,0,0,0|1,0,1]=4 4631 B9R0.7 CC(=N)SCC(Cl)C(N)=O Amb28245419 [0,2,0,0,0,0|2,0,0]=4 4632 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,2,0,0,0,0|1,0,0]=3 4633 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,2,0,0,0,0|1,0,0]=3 4634 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [0,2,0,0,0,0|2,0,0]=4 4635 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,2,0,0,0,0|1,0,0]=3 4636 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,2,0,0,0,0|1,0,0]=3 4637 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,2,0,0,0,0|2,0,0]=4 4638 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,2,0,0,0,0|1,0,0]=3 4639 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [0,2,0,0,0,0|2,0,0]=4 4640 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [0,2,0,0,0,0|1,1,0]=4 4641 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [0,2,0,0,0,0|0,1,0]=3 4642 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [0,2,0,0,0,0|0,1,0]=3 4643 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [0,2,0,0,0,0|0,1,1]=4 4644 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [0,2,0,0,0,0|1,1,0]=4 4645 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [0,2,0,0,0,0|0,1,0]=3 4646 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [0,2,0,0,0,0|0,1,0]=3 4647 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [0,2,0,0,0,0|1,0,0]=3 4648 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,2,0,0,0,0|2,0,0]=4 4649 B9R0.7 CC(=O)SCC(Cl)C(=O)Cl Amb28247162 [0,2,0,0,0,0|2,0,0]=4 4650 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [0,2,0,0,0,0|0,0,0]=2 4651 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [0,2,0,0,0,0|1,0,0]=3 4652 B9R0.7 CC(=O)SC[C@@H](C)C(=O)Cl Amb26641827 [0,2,0,0,0,0|2,0,0]=4 4653 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [0,2,0,0,0,0|1,0,0]=3 4654 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,2,0,0,0,0|2,0,0]=4 4655 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [0,2,0,0,0,0|2,0,0]=4 4656 B9R0.7 CC(C)=CCC(N)C(=O)O Amb6276273 [0,2,0,0,0,0|1,0,0]=3 4657 B9R0.7 CC(C)=CCC(N)C(N)=O Amb24697159 [0,2,0,0,0,0|2,0,0]=4 4658 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O Amb27254062 [0,2,0,0,0,0|1,0,0]=3 4659 B9R0.7 CC(C)=CC[C@H](N)C(=O)O Amb25836895 [0,2,0,0,0,0|1,0,0]=3 4660 B9R0.7 CC(C)CCC(Br)C(=O)O Amb18131059 [0,2,0,0,0,0|2,0,0]=4 4661 B9R0.7 CC(C)CCC(C)C(=O)O Amb19033547 [0,2,0,0,0,0|2,0,0]=4 4662 B9R0.7 CC(C)CCC(F)C(=O)O Amb26612835 [0,2,0,0,0,0|2,0,0]=4 4663 B9R0.7 CC(C)CCC(N)C(=O)Cl Amb27396445 [0,2,0,0,0,0|2,0,0]=4 4664 B9R0.7 CC(C)CCC(N)C(=O)O Amb19269152 [0,2,0,0,0,0|1,0,0]=3 4665 B9R0.7 CC(C)CCC(N)C(=O)O Amb6269218 [0,2,0,0,0,0|1,0,0]=3 4666 B9R0.7 CC(C)CCC(N)C(N)=O Amb27424766 [0,2,0,0,0,0|2,0,0]=4 4667 B9R0.7 CC(C)CCC(O)C(=O)O Amb27788603 [0,2,0,0,0,0|2,0,0]=4 4668 B9R0.7 CC(C)CC[C@@H](C)C(=O)O Amb26983027 [0,2,0,0,0,0|2,0,0]=4 4669 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb19133196 [0,2,0,0,0,0|1,0,0]=3 4670 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb22899130 [0,2,0,0,0,0|1,0,0]=3 4671 B9R0.7 CC(C)CC[C@H](C)C(=O)O Amb27227250 [0,2,0,0,0,0|2,0,0]=4 4672 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb16183866 [0,2,0,0,0,0|1,0,0]=3 4673 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb33339290 [0,2,0,0,0,0|1,0,0]=3 4674 B9R0.7 CC(C)CNC(C)C(=O)O Amb9326958 [0,2,0,0,0,0|2,0,0]=4 4675 B9R0.7 CC(C)CN[C@@H](C)C(=O)O Amb27872965 [0,2,0,0,0,0|2,0,0]=4 4676 B9R0.7 CC(C)COC(C)C(=O)O Amb6258223 [0,2,0,0,0,0|2,0,0]=4 4677 B9R0.7 CC(C)COC(F)C(=O)O Amb27825878 [0,2,0,0,0,0|2,0,0]=4 4678 B9R0.7 CC(C)CSC(C)C(=O)O Amb6270237 [0,2,0,0,0,0|2,0,0]=4 4679 B9R0.7 CC(C)NCC(C)C(=O)O Amb9400283 [0,2,0,0,0,0|2,0,0]=4 4680 B9R0.7 CC(C)NCC(N)C(N)=O Amb27812569 [0,2,0,0,0,0|2,0,0]=4 4681 B9R0.7 CC(C)OCC(C)C(=O)O Amb26037515 [0,2,0,0,0,0|1,1,0]=4 4682 B9R0.7 CC(C)OCC(Cl)C(=O)O Amb27770474 [0,2,0,0,0,0|1,1,0]=4 4683 B9R0.7 CC(C)OCC(N)C(=O)O Amb25956723 [0,2,0,0,0,0|0,1,0]=3 4684 B9R0.7 CC(C)OCC(N)C(=O)O Amb32665467 [0,2,0,0,0,0|0,1,0]=3 4685 B9R0.7 CC(C)OCC(N)C(N)=O Amb25104507 [0,2,0,0,0,0|1,1,0]=4 4686 B9R0.7 CC(C)OCC(O)C(=O)O Amb24583914 [0,2,0,0,0,0|1,1,0]=4 4687 B9R0.7 CC(C)OC[C@@H](N)C(=O)O Amb24479342 [0,2,0,0,0,0|0,1,0]=3 4688 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb26960408 [0,2,0,0,0,0|0,1,0]=3 4689 B9R0.7 CC(C)OC[C@H](N)C(=O)O Amb32664966 [0,2,0,0,0,0|0,1,0]=3 4690 B9R0.7 CC(C)OC[C@H](N)C(N)=O Amb27184033 [0,2,0,0,0,0|1,1,0]=4 4691 B9R0.7 CC(C)SCC(N)C(=O)O Amb6273927 [0,2,0,0,0,0|0,0,0]=2 4692 B9R0.7 CC(CCC(F)F)C(=O)O Amb32672190 [0,2,0,0,0,0|2,0,0]=4 4693 B9R0.7 CC(CCN(C)C)C(=O)O Amb26502003 [0,2,0,0,0,0|2,0,0]=4 4694 B9R0.7 CC(CCN(C)C)C(=O)O Amb32675008 [0,2,0,0,0,0|2,0,0]=4 4695 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [0,2,0,0,0,0|1,0,1]=4 4696 B9R0.7 CC(CNN(C)C)C(=O)O Amb27855116 [0,2,0,0,0,0|2,0,0]=4 4697 B9R0.7 CC(CSC(=N)N)C(=O)O Amb27392409 [0,2,0,0,0,0|1,0,1]=4 4698 B9R0.7 CC(CSC(F)F)C(=O)O Amb24685869 [0,2,0,0,0,0|1,0,0]=3 4699 B9R0.7 CC(N)CCC(O)C(=O)O Amb28436655 [0,2,0,0,0,0|2,0,0]=4 4700 B9R0.7 CC(NC[C@@H](C)O)C(=O)O Amb27617222 [0,2,0,0,0,0|2,0,0]=4 4701 B9R0.7 CC(NC[C@H](C)O)C(=O)O Amb27248684 [0,2,0,0,0,0|2,0,0]=4 4702 B9R0.7 CC(O)CCC(N)C(=O)O Amb26598749 [0,2,0,0,0,0|1,0,0]=3 4703 B9R0.7 CC(O)CCC(N)C(N)=O Amb33036759 [0,2,0,0,0,0|2,0,0]=4 4704 B9R0.7 CC(O)CC[C@@H](N)C(=O)O Amb28126862 [0,2,0,0,0,0|1,0,0]=3 4705 B9R0.7 CC(O)CC[C@H](N)C(=O)O Amb26346481 [0,2,0,0,0,0|1,0,0]=3 4706 B9R0.7 CC(O)CNC(C)C(=O)O Amb18523859 [0,2,0,0,0,0|2,0,0]=4 4707 B9R0.7 CC(O)CN[C@H](C)C(=O)O Amb28246243 [0,2,0,0,0,0|2,0,0]=4 4708 B9R0.7 CC(O)CO[C@@H](C)C(=O)O Amb27273395 [0,2,0,0,0,0|2,0,0]=4 4709 B9R0.7 CC(O)NC[C@H](N)C(=O)O Amb24575047 [0,2,0,0,0,0|1,0,0]=3 4710 B9R0.7 CC(O)OC[C@@H](N)C(=O)O Amb28348403 [0,2,0,0,0,0|0,1,0]=3 4711 B9R0.7 CN(C)CCC(F)C(=O)O Amb27959150 [0,2,0,0,0,0|2,0,0]=4 4712 B9R0.7 CN(C)CCC(N)C(=O)O Amb32661000 [0,2,0,0,0,0|1,0,0]=3 4713 B9R0.7 CN(C)CCC(N)C(=O)O Amb6259376 [0,2,0,0,0,0|1,0,0]=3 4714 B9R0.7 CN(C)CCC(N)C(N)=O Amb19036813 [0,2,0,0,0,0|2,0,0]=4 4715 B9R0.7 CN(C)CCC(O)C(=O)O Amb26847402 [0,2,0,0,0,0|2,0,0]=4 4716 B9R0.7 CN(C)CC[C@@H](N)C(=O)O Amb26453522 [0,2,0,0,0,0|1,0,0]=3 4717 B9R0.7 CN(C)CC[C@H](N)C(=O)O Amb25108550 [0,2,0,0,0,0|1,0,0]=3 4718 B9R0.7 CN(C)CC[C@H](N)C(N)=O Amb28364893 [0,2,0,0,0,0|2,0,0]=4 4719 B9R0.7 CN(C)NCC(N)C(=O)O Amb28045970 [0,2,0,0,0,0|1,0,0]=3 4720 B9R0.7 CN(O)CC[C@H](N)C(=O)O Amb27640254 [0,2,0,0,0,0|1,0,0]=3 4721 B9R0.7 CS(=N)CCC(N)C(=O)O Amb25243030 [0,2,0,0,0,0|0,0,1]=3 4722 B9R0.7 CS(=O)CCC(N)C(=O)O Amb6336322 [0,2,0,0,0,0|0,0,1]=3 4723 B9R0.7 CS(=O)CCC(N)C(N)=O Amb25869966 [0,2,0,0,0,0|1,0,1]=4 4724 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [0,2,0,0,0,0|1,0,1]=4 4725 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Amb19133021 [0,2,0,0,0,0|0,0,1]=3 4726 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Amb6600089 [0,2,0,0,0,0|0,0,1]=3 4727 B9R0.7 CS(=O)NCC(N)C(=O)O Amb28122995 [0,2,0,0,0,0|0,0,1]=3 4728 B9R0.7 C[C@@H](N)CC[C@@H](O)C(=O)O Amb27815031 [0,2,0,0,0,0|2,0,0]=4 4729 B9R0.7 C[C@@H](N)CN[C@H](C)C(=O)O Amb27646700 [0,2,0,0,0,0|2,0,0]=4 4730 B9R0.7 C[C@H](N)CN[C@H](C)C(=O)O Amb27445282 [0,2,0,0,0,0|2,0,0]=4 4731 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006595 [0,2,0,0,0,0|0,0,1]=3 4732 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006626 [0,2,0,0,0,0|0,0,1]=3 4733 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4007490 [0,2,0,0,0,0|0,0,1]=3 4734 B9R0.7 C[S+](C)CCC(O)C(=O)O Amb33482959 [0,2,0,0,0,0|1,0,1]=4 4735 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb35781977 [0,2,0,0,0,0|0,0,1]=3 4736 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb6336613 [0,2,0,0,0,0|0,0,1]=3 4737 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O Amb10601599 [0,2,0,0,0,0|0,0,1]=3 4738 B9R0.7 C[SH](C)CC[C@H](N)C(=O)O Amb24440849 [0,2,0,0,0,0|0,0,1]=3 4739 B9R0.7 C\C(Cl)=C/CC(Cl)C(=O)O Amb27212547 [0,2,0,0,0,0|2,0,0]=4 4740 B9R0.7 C\C(Cl)=C\CC(Cl)C(=O)O Amb17594711 [0,2,0,0,0,0|2,0,0]=4 4741 B9R0.7 C\C(F)=C/C[C@H](N)C(=O)O Amb27205690 [0,2,0,0,0,0|1,0,0]=3 4742 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [0,2,0,0,0,0|1,0,1]=4 4743 B9R0.7 N=C(N)NCC(N)C(=O)O Amb22169574 [0,2,0,0,0,0|1,0,1]=4 4744 B9R0.7 N=C(N)NCC(N)C(=O)O Amb9871390 [0,2,0,0,0,0|1,0,1]=4 4745 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb28058768 [0,2,0,0,0,0|1,0,1]=4 4746 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb31292962 [0,2,0,0,0,0|1,0,1]=4 4747 B9R0.7 N=C(N)NC[C@H](N)C(=O)O Amb27230623 [0,2,0,0,0,0|1,0,1]=4 4748 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,2,0,0,0,0|1,0,1]=4 4749 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,2,0,0,0,0|1,0,1]=4 4750 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,2,0,0,0,0|1,0,1]=4 4751 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [0,2,0,0,0,0|1,0,1]=4 4752 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [0,2,0,0,0,0|1,0,1]=4 4753 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [0,2,0,0,0,0|1,0,1]=4 4754 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,2,0,0,0,0|0,1,1]=4 4755 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,2,0,0,0,0|0,1,1]=4 4756 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [0,2,0,0,0,0|0,0,1]=3 4757 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [0,2,0,0,0,0|0,0,1]=3 4758 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [0,2,0,0,0,0|0,0,1]=3 4759 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [0,2,0,0,0,0|1,0,1]=4 4760 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [0,2,0,0,0,0|1,0,1]=4 4761 B9R0.7 NC(CC=C(Cl)Cl)C(=O)O Amb28239821 [0,2,0,0,0,0|1,0,1]=4 4762 B9R0.7 NC(CCB(O)O)C(=O)O Amb22497480 [0,2,0,0,0,0|2,0,0]=4 4763 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,2,0,0,0,0|1,0,1]=4 4764 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,2,0,0,0,0|1,0,1]=4 4765 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,2,0,0,0,0|1,0,1]=4 4766 B9R0.7 NC(CC[N+](=O)[O-])C(=O)O Amb27221965 [0,2,0,0,0,0|2,0,0]=4 4767 B9R0.7 NC(CN[N+](=O)[O-])C(=O)O Amb27857570 [0,2,0,0,0,0|2,0,0]=4 4768 B9R0.7 NC(COC(F)F)C(=O)O Amb27849786 [0,2,0,0,0,0|0,1,0]=3 4769 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [0,2,0,0,0,0|0,0,1]=3 4770 B9R0.7 N[C@@H](CC=C(Cl)Cl)C(=O)O Amb29866596 [0,2,0,0,0,0|1,0,1]=4 4771 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,2,0,0,0,0|1,0,1]=4 4772 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,2,0,0,0,0|1,0,1]=4 4773 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,2,0,0,0,0|1,0,1]=4 4774 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,2,0,0,0,0|1,0,1]=4 4775 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [0,2,0,0,0,0|1,0,1]=4 4776 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [0,2,0,0,0,0|2,0,0]=4 4777 B9R0.7 N[C@@H](CO[N+](=O)[O-])C(=O)O Amb27793180 [0,2,0,0,0,0|1,1,0]=4 4778 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [0,2,0,0,0,0|0,0,1]=3 4779 B9R0.7 N[C@H](CC=C(Cl)Cl)C(=O)O Amb29866643 [0,2,0,0,0,0|1,0,1]=4 4780 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,2,0,0,0,0|1,0,1]=4 4781 B9R0.7 N[C@H](COC(F)F)C(=O)O Amb27637675 [0,2,0,0,0,0|0,1,0]=3 4782 B9R0.7 N[C@H](CSC(F)F)C(=O)O Amb28290955 [0,2,0,0,0,0|0,0,0]=2 4783 B9R0.13 C=CC(CCCC)C(=O)O Amb27759693 [0,2,0,0,0,0|2,0,0]=4 4784 B9R0.13 C=CC(CCCCl)C(=O)O Amb28072929 [0,2,0,0,0,0|2,0,0]=4 4785 B9R0.13 C=CC(NCCC)C(=O)O Amb28454234 [0,2,0,0,0,0|2,0,0]=4 4786 B9R0.13 C=CC(SCCC)C(=O)O Amb27207894 [0,2,0,0,0,0|2,0,0]=4 4787 B9R0.13 C=CCOC(CN)C(=O)O Amb27656801 [0,2,0,0,0,0|1,0,1]=4 4788 B9R0.13 C=C[C@@H](CCCC)C(=O)O Amb28050245 [0,2,0,0,0,0|2,0,0]=4 4789 B9R0.13 C=C[C@H](CCCC)C(=O)O Amb27838910 [0,2,0,0,0,0|2,0,0]=4 4790 B9R0.13 CC#CCC(C#N)C(=O)O Amb35741468 [0,2,0,0,0,0|1,0,1]=4 4791 B9R0.13 CCC(CCOC)C(=O)O Amb25289946 [0,2,0,0,0,0|1,1,0]=4 4792 B9R0.13 CCC(CCSC)C(=O)O Amb24373794 [0,2,0,0,0,0|1,0,0]=3 4793 B9R0.13 CCC(OCOC)C(=O)O Amb28072710 [0,2,0,0,0,0|1,1,0]=4 4794 B9R0.13 CCCCC(C#N)C(=O)O Amb27202774 [0,2,0,0,0,0|1,0,1]=4 4795 B9R0.13 CCCCC(CBr)C(=O)O Amb27799965 [0,2,0,0,0,0|2,0,0]=4 4796 B9R0.13 CCCCC(CC)C(=O)O Amb3939821 [0,2,0,0,0,0|2,0,0]=4 4797 B9R0.13 CCCCC(CN)C(=O)O Amb26978768 [0,2,0,0,0,0|1,0,0]=3 4798 B9R0.13 CCCCC(CO)C(=O)O Amb27834958 [0,2,0,0,0,0|2,0,0]=4 4799 B9R0.13 CCCCC(NC)C(=O)O Amb24116642 [0,2,0,0,0,0|1,0,0]=3 4800 B9R0.13 CCCCC(NC)C(N)=O Amb24116641 [0,2,0,0,0,0|2,0,0]=4 4801 B9R0.13 CCCCC(NCl)C(=O)O Amb27863591 [0,2,0,0,0,0|1,0,0]=3 4802 B9R0.13 CCCCC(NN)C(=O)O Amb18644274 [0,2,0,0,0,0|1,0,0]=3 4803 B9R0.13 CCCCC(NO)C(=O)O Amb27619251 [0,2,0,0,0,0|1,0,0]=3 4804 B9R0.13 CCCCC(OC)C(=O)O Amb25889001 [0,2,0,0,0,0|2,0,0]=4 4805 B9R0.13 CCCC[C@@H](CC)C(=O)O Amb28398235 [0,2,0,0,0,0|2,0,0]=4 4806 B9R0.13 CCCC[C@@H](CN)C(=O)O Amb27812140 [0,2,0,0,0,0|1,0,0]=3 4807 B9R0.13 CCCC[C@@H](NC)C(=O)O Amb22799980 [0,2,0,0,0,0|1,0,0]=3 4808 B9R0.13 CCCC[C@@H](NO)C(=O)O Amb27162541 [0,2,0,0,0,0|1,0,0]=3 4809 B9R0.13 CCCC[C@H](CC)C(=O)O Amb24671282 [0,2,0,0,0,0|2,0,0]=4 4810 B9R0.13 CCCC[C@H](CO)C(=O)O Amb16232529 [0,2,0,0,0,0|2,0,0]=4 4811 B9R0.13 CCCC[C@H](NC)C(=O)O Amb25887554 [0,2,0,0,0,0|1,0,0]=3 4812 B9R0.13 CCCC[C@H](NC)C(N)=O Amb27264530 [0,2,0,0,0,0|2,0,0]=4 4813 B9R0.13 CCCN[C@@H](CS)C(=O)O Amb27645159 [0,2,0,0,0,0|2,0,0]=4 4814 B9R0.13 CCCN[C@H](CO)C(=O)O Amb28125350 [0,2,0,0,0,0|2,0,0]=4 4815 B9R0.13 CCCOC(CC)C(=O)O Amb9675479 [0,2,0,0,0,0|2,0,0]=4 4816 B9R0.13 CCCSC(CC)C(=O)O Amb9675504 [0,2,0,0,0,0|2,0,0]=4 4817 B9R0.13 CCCSC(CN)C(=O)O Amb27233967 [0,2,0,0,0,0|1,0,0]=3 4818 B9R0.13 CCCSC(CO)C(=O)O Amb27629095 [0,2,0,0,0,0|2,0,0]=4 4819 B9R0.13 CCOC[C@H](NC)C(=O)O Amb33347475 [0,2,0,0,0,0|0,1,0]=3 4820 B9R0.13 CCSCC(CC)C(=O)O Amb24482439 [0,2,0,0,0,0|1,0,0]=3 4821 B9R0.13 CCSCC(CN)C(=O)O Amb33324076 [0,2,0,0,0,0|0,0,0]=2 4822 B9R0.13 CC\C=C\C(CN)C(=O)O Amb33268709 [0,2,0,0,0,0|1,0,1]=4 4823 B9R0.13 CNC(CCCN)C(=O)O Amb18644280 [0,2,0,0,0,0|1,0,0]=3 4824 B9R0.13 CNC(CCSC)C(=O)O Amb18792506 [0,2,0,0,0,0|0,0,0]=2 4825 B9R0.13 CNC(CCSC)C(N)=O Amb18792442 [0,2,0,0,0,0|1,0,0]=3 4826 B9R0.13 CN[C@@H](CCOC)C(N)=O Amb27175032 [0,2,0,0,0,0|1,1,0]=4 4827 B9R0.13 CN[C@@H](CCSC)C(=O)O Amb26844419 [0,2,0,0,0,0|0,0,0]=2 4828 B9R0.13 CN[C@@H](CN=[N+]=[N-])C(=O)O Amb28435139 [0,2,0,0,0,0|2,0,0]=4 4829 B9R0.13 CN[C@H](CCCN)C(=O)O Amb28060751 [0,2,0,0,0,0|1,0,0]=3 4830 B9R0.13 CN[C@H](CCSC)C(=O)O Amb27974159 [0,2,0,0,0,0|0,0,0]=2 4831 B9R0.13 COC(CCCF)C(=O)O Amb33196102 [0,2,0,0,0,0|2,0,0]=4 4832 B9R0.13 COC(CCSC)C(=O)O Amb28288804 [0,2,0,0,0,0|1,0,0]=3 4833 B9R0.13 COCCC(CN)C(=O)O Amb24697893 [0,2,0,0,0,0|0,1,0]=3 4834 B9R0.13 COCCC(OC)C(=O)O Amb33428673 [0,2,0,0,0,0|1,1,0]=4 4835 B9R0.13 CSCCC(CN)C(=O)O Amb24618199 [0,2,0,0,0,0|0,0,0]=2 4836 B9R0.13 CSCCC(NCl)C(=O)O Amb27635192 [0,2,0,0,0,0|0,0,0]=2 4837 B9R0.13 CSCCC(NF)C(=O)O Amb27233599 [0,2,0,0,0,0|0,0,0]=2 4838 B9R0.13 CSCC[C@@H](CN)C(=O)O Amb28458297 [0,2,0,0,0,0|0,0,0]=2 4839 B9R0.13 C\C=C\CC(C#N)C(=O)O Amb35741469 [0,2,0,0,0,0|1,0,1]=4 4840 B9R0.13 C\C=C\CC(CC)C(=O)O Amb18643880 [0,2,0,0,0,0|2,0,0]=4 4841 B9R0.13 C\C=C\CC(OC)C(=O)O Amb18644117 [0,2,0,0,0,0|2,0,0]=4 4842 B9R0.13 C\C=C\C[C@H](OC)C(=O)O Amb27230104 [0,2,0,0,0,0|2,0,0]=4 4843 B9R0.13 NCC(NCCF)C(=O)O Amb27246937 [0,2,0,0,0,0|2,0,0]=4 4844 B9R0.13 NCC(SCCO)C(=O)O Amb27233935 [0,2,0,0,0,0|2,0,0]=4 4845 B9R0.13 NCCCC(CS)C(=O)O Amb28458435 [0,2,0,0,0,0|2,0,0]=4 4846 B9R0.13 NCCC[C@@H](NN)C(=O)O Amb27768758 [0,2,0,0,0,0|1,0,0]=3 4847 B9R0.13 NCCNC(CN)C(=O)O Amb28454232 [0,2,0,0,0,0|2,0,0]=4 4848 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O Amb28321822 [0,2,0,0,0,0|1,0,1]=4 4849 B9R0.42 C=C(CC)CC(N)C(=O)O Amb28064280 [0,2,0,0,0,0|1,0,0]=3 4850 B9R0.42 C=C(CC)CC(N)C(N)=O Amb24429018 [0,2,0,0,0,0|2,0,0]=4 4851 B9R0.42 C=C(CC)C[C@@H](N)C(=O)O Amb26340266 [0,2,0,0,0,0|1,0,0]=3 4852 B9R0.42 C=C(CC)C[C@H](N)C(=O)O Amb25694434 [0,2,0,0,0,0|1,0,0]=3 4853 B9R0.42 C=CC(C)C[C@H](C)C(=O)O Amb27788729 [0,2,0,0,0,0|2,0,0]=4 4854 B9R0.42 CC(C#N)CC(N)C(=O)O Amb25262927 [0,2,0,0,0,0|1,0,0]=3 4855 B9R0.42 CC(C#N)CC(N)C(N)=O Amb33035593 [0,2,0,0,0,0|2,0,0]=4 4856 B9R0.42 CC(C#N)C[C@@H](N)C(=O)O Amb33127539 [0,2,0,0,0,0|1,0,0]=3 4857 B9R0.42 CC(C#N)C[C@H](N)C(=O)O Amb33036873 [0,2,0,0,0,0|1,0,0]=3 4858 B9R0.42 CC(CC(=O)CCl)C(=O)O Amb24585160 [0,2,0,0,0,0|2,0,0]=4 4859 B9R0.42 CC(CF)CC(N)C(=O)O Amb27838056 [0,2,0,0,0,0|1,0,0]=3 4860 B9R0.42 CC(CN(C)C#N)C(=O)O Amb35593372 [0,2,0,0,0,0|2,0,0]=4 4861 B9R0.42 CC(CO)CC(C)C(=O)O Amb27838009 [0,2,0,0,0,0|2,0,0]=4 4862 B9R0.42 CC(CO)CC(N)C(=O)O Amb25147300 [0,2,0,0,0,0|1,0,0]=3 4863 B9R0.42 CC(CO)CC(N)C(N)=O Amb32787927 [0,2,0,0,0,0|2,0,0]=4 4864 B9R0.42 CC(CO)C[C@@H](N)C(=O)O Amb33036727 [0,2,0,0,0,0|1,0,0]=3 4865 B9R0.42 CC(CO)C[C@H](N)C(=O)O Amb32865934 [0,2,0,0,0,0|1,0,0]=3 4866 B9R0.42 CC(C[C@H](N)CS)C(=O)O Amb27981242 [0,2,0,0,0,0|2,0,0]=4 4867 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [0,2,0,0,0,0|1,0,0]=3 4868 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [0,2,0,0,0,0|1,0,0]=3 4869 B9R0.42 CCC(=O)CC(N)C(N)=O Amb25129863 [0,2,0,0,0,0|2,0,0]=4 4870 B9R0.42 CCC(=O)CC(O)C(=O)O Amb27655574 [0,2,0,0,0,0|2,0,0]=4 4871 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [0,2,0,0,0,0|1,0,0]=3 4872 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [0,2,0,0,0,0|1,0,0]=3 4873 B9R0.42 CCC(C)CC(C)C(=O)O Amb22228338 [0,2,0,0,0,0|2,0,0]=4 4874 B9R0.42 CCC(C)CC(Cl)C(=O)O Amb28050903 [0,2,0,0,0,0|2,0,0]=4 4875 B9R0.42 CCC(C)CC(N)C(=O)O Amb18313985 [0,2,0,0,0,0|1,0,0]=3 4876 B9R0.42 CCC(C)CC(N)C(=O)O Amb20667726 [0,2,0,0,0,0|1,0,0]=3 4877 B9R0.42 CCC(C)CC(N)C(N)=O Amb26989566 [0,2,0,0,0,0|2,0,0]=4 4878 B9R0.42 CCC(C)CC(O)C(=O)O Amb25849308 [0,2,0,0,0,0|2,0,0]=4 4879 B9R0.42 CCC(C)CC(S)C(=O)O Amb18798152 [0,2,0,0,0,0|2,0,0]=4 4880 B9R0.42 CCC(C)C[C@@H](C)C(=O)O Amb33727258 [0,2,0,0,0,0|2,0,0]=4 4881 B9R0.42 CCC(C)C[C@@H](N)C(=O)O Amb25127143 [0,2,0,0,0,0|1,0,0]=3 4882 B9R0.42 CCC(C)C[C@H](C)C(=O)O Amb33743264 [0,2,0,0,0,0|2,0,0]=4 4883 B9R0.42 CCC(C)C[C@H](N)C(=O)O Amb27471067 [0,2,0,0,0,0|1,0,0]=3 4884 B9R0.42 CCC(C)C[C@H](N)C(N)=O Amb27429524 [0,2,0,0,0,0|2,0,0]=4 4885 B9R0.42 CCC(C)N[C@@H](C)C(=O)O Amb25691180 [0,2,0,0,0,0|2,0,0]=4 4886 B9R0.42 CCC(C)O[C@@H](C)C(=O)O Amb27395318 [0,2,0,0,0,0|2,0,0]=4 4887 B9R0.42 CCC(C)O[C@H](C)C(=O)O Amb27495202 [0,2,0,0,0,0|2,0,0]=4 4888 B9R0.42 CCC(C)SC(F)C(=O)O Amb27272834 [0,2,0,0,0,0|2,0,0]=4 4889 B9R0.42 CCC(N)CC(N)C(=O)O Amb27205091 [0,2,0,0,0,0|1,0,0]=3 4890 B9R0.42 CCC(O)CC(C)C(=O)O Amb28348984 [0,2,0,0,0,0|2,0,0]=4 4891 B9R0.42 CCC(O)CC(Cl)C(=O)O Amb28244776 [0,2,0,0,0,0|2,0,0]=4 4892 B9R0.42 CCC(O)CC(N)C(=O)O Amb24117068 [0,2,0,0,0,0|1,0,0]=3 4893 B9R0.42 CCC(O)CC(N)C(N)=O Amb33308821 [0,2,0,0,0,0|2,0,0]=4 4894 B9R0.42 CCC(O)CC(O)C(=O)O Amb28050169 [0,2,0,0,0,0|2,0,0]=4 4895 B9R0.42 CCC(O)C[C@@H](N)C(=O)O Amb33065603 [0,2,0,0,0,0|1,0,0]=3 4896 B9R0.42 CCC(O)C[C@H](N)C(=O)O Amb24759913 [0,2,0,0,0,0|1,0,0]=3 4897 B9R0.42 CCN(C)CC(C)C(=O)O Amb8428202 [0,2,0,0,0,0|2,0,0]=4 4898 B9R0.42 CCN(C)CC(C)C(=O)O Amb9173364 [0,2,0,0,0,0|2,0,0]=4 4899 B9R0.42 CCN(C)CC(N)C(=O)O Amb27478110 [0,2,0,0,0,0|1,0,0]=3 4900 B9R0.42 CCN(C)CC(N)C(N)=O Amb27768725 [0,2,0,0,0,0|2,0,0]=4 4901 B9R0.42 CCS(=O)CC(C)C(=O)O Amb19012076 [0,2,0,0,0,0|1,0,1]=4 4902 B9R0.42 CCS(=O)CC(O)C(=O)O Amb28342085 [0,2,0,0,0,0|1,0,1]=4 4903 B9R0.42 CCS(=O)C[C@H](N)C(=O)O Amb28118843 [0,2,0,0,0,0|0,0,1]=3 4904 B9R0.42 CC[C@@H](C)C[C@@H](C)C(=O)O Amb28248596 [0,2,0,0,0,0|2,0,0]=4 4905 B9R0.42 CC[C@@H](C)C[C@H](O)C(=O)O Amb27770344 [0,2,0,0,0,0|2,0,0]=4 4906 B9R0.42 CC[C@H](C)CC(C)C(=O)O Amb27770364 [0,2,0,0,0,0|2,0,0]=4 4907 B9R0.42 CC[C@H](C)CC(N)C(=O)O Amb28364291 [0,2,0,0,0,0|1,0,0]=3 4908 B9R0.42 CC[C@H](C)C[C@H](C)C(=O)O Amb27472997 [0,2,0,0,0,0|2,0,0]=4 4909 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb25662528 [0,2,0,0,0,0|1,0,0]=3 4910 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb33620552 [0,2,0,0,0,0|1,0,0]=3 4911 B9R0.42 CNC(=O)CC(N)C(=O)O Amb27839034 [0,2,0,0,0,0|1,0,0]=3 4912 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Amb20240891 [0,2,0,0,0,0|1,0,0]=3 4913 B9R0.42 COC(=O)CC(Br)C(=O)O Amb18656998 [0,2,0,0,0,0|1,1,0]=4 4914 B9R0.42 COC(=O)CC(C)C(=O)O Amb18644239 [0,2,0,0,0,0|1,1,0]=4 4915 B9R0.42 COC(=O)CC(Cl)C(=O)O Amb32941126 [0,2,0,0,0,0|1,1,0]=4 4916 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [0,2,0,0,0,0|0,1,0]=3 4917 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [0,2,0,0,0,0|0,1,0]=3 4918 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [0,2,0,0,0,0|0,1,0]=3 4919 B9R0.42 COC(=O)CC(O)C(=O)O Amb25786182 [0,2,0,0,0,0|1,1,0]=4 4920 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Amb3939892 [0,2,0,0,0,0|1,1,0]=4 4921 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [0,2,0,0,0,0|0,1,0]=3 4922 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [0,2,0,0,0,0|0,1,0]=3 4923 B9R0.42 COC(=O)C[C@@H](O)C(=O)O Amb23603858 [0,2,0,0,0,0|1,1,0]=4 4924 B9R0.42 COC(=O)C[C@H](Br)C(=O)O Amb26619839 [0,2,0,0,0,0|1,1,0]=4 4925 B9R0.42 COC(=O)C[C@H](C)C(=O)O Amb26967622 [0,2,0,0,0,0|1,1,0]=4 4926 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [0,2,0,0,0,0|0,1,0]=3 4927 B9R0.42 COC(=O)C[C@H](O)C(=O)O Amb25367304 [0,2,0,0,0,0|1,1,0]=4 4928 B9R0.42 COC(C)CC(N)C(=O)O Amb25147752 [0,2,0,0,0,0|0,1,0]=3 4929 B9R0.42 COC(C)CC(N)C(N)=O Amb25349298 [0,2,0,0,0,0|1,1,0]=4 4930 B9R0.42 COC(C)CC(O)C(=O)O Amb33353368 [0,2,0,0,0,0|1,1,0]=4 4931 B9R0.42 COC(C)C[C@@H](N)C(=O)O Amb24412403 [0,2,0,0,0,0|0,1,0]=3 4932 B9R0.42 COC(C)C[C@H](N)C(=O)O Amb27801695 [0,2,0,0,0,0|0,1,0]=3 4933 B9R0.42 CSC(C)C[C@H](N)C(=O)O Amb28208334 [0,2,0,0,0,0|0,0,0]=2 4934 B9R0.42 CS[C@@H](C)C[C@@H](N)C(=O)O Amb27755570 [0,2,0,0,0,0|0,0,0]=2 4935 B9R0.42 C[C@@H](CO)C[C@@H](N)C(=O)O Amb27398331 [0,2,0,0,0,0|1,0,0]=3 4936 B9R0.42 C[C@@H](C[C@@H](O)CN)C(=O)O Amb27768864 [0,2,0,0,0,0|2,0,0]=4 4937 B9R0.42 C[C@H](CO)C[C@H](N)C(=O)O Amb27625117 [0,2,0,0,0,0|1,0,0]=3 4938 B9R0.42 C[C@H](C[C@@H](O)CN)C(=O)O Amb27169198 [0,2,0,0,0,0|2,0,0]=4 4939 B9R0.42 C\C(=C/Cl)CC(N)C(=O)O Amb25934493 [0,2,0,0,0,0|1,0,0]=3 4940 B9R0.42 C\C(=C/Cl)CC(N)C(N)=O Amb27946722 [0,2,0,0,0,0|2,0,0]=4 4941 B9R0.42 C\C(=C/Cl)C[C@@H](N)C(=O)O Amb27168937 [0,2,0,0,0,0|1,0,0]=3 4942 B9R0.42 C\C(=C/Cl)C[C@H](N)C(=O)O Amb26888703 [0,2,0,0,0,0|1,0,0]=3 4943 B9R0.42 C\C=C(/C)C[C@H](N)C(=O)O Amb27827659 [0,2,0,0,0,0|1,0,0]=3 4944 B9R0.42 NC(=O)C(N)CC(O)CF Amb33308795 [0,2,0,0,0,0|2,0,0]=4 4945 B9R0.42 NC(=O)C(N)CC(O)CO Amb33066193 [0,2,0,0,0,0|2,0,0]=4 4946 B9R0.42 NC(CC(=O)CI)C(=O)O Amb27803464 [0,2,0,0,0,0|1,0,0]=3 4947 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [0,2,0,0,0,0|1,0,0]=3 4948 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [0,2,0,0,0,0|2,0,0]=4 4949 B9R0.42 NC(CC(F)CO)C(=O)O Amb27632459 [0,2,0,0,0,0|1,0,0]=3 4950 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [0,2,0,0,0,0|1,0,1]=4 4951 B9R0.42 NC(CC(O)CF)C(=O)O Amb33065776 [0,2,0,0,0,0|1,0,0]=3 4952 B9R0.42 NC(CC(O)CO)C(=O)O Amb18644388 [0,2,0,0,0,0|1,0,0]=3 4953 B9R0.42 NC(CC(O)CO)C(=O)O Amb24117285 [0,2,0,0,0,0|1,0,0]=3 4954 B9R0.42 NC(C\C(Cl)=C\Cl)C(=O)O Amb27232854 [0,2,0,0,0,0|1,0,1]=4 4955 B9R0.42 NCC(F)C[C@H](N)C(=O)O Amb28126719 [0,2,0,0,0,0|1,0,0]=3 4956 B9R0.42 NCC(O)CC(N)C(=O)O Amb30988061 [0,2,0,0,0,0|1,0,0]=3 4957 B9R0.42 NCC(O)CC(O)C(=O)O Amb27170737 [0,2,0,0,0,0|2,0,0]=4 4958 B9R0.42 NC[C@H](O)CC(O)C(=O)O Amb27590744 [0,2,0,0,0,0|2,0,0]=4 4959 B9R0.42 NNC(=O)C[C@H](N)C(=O)O Amb24680907 [0,2,0,0,0,0|2,0,0]=4 4960 B9R0.42 N[C@@H](CC(=O)CCl)C(=O)O Amb27168692 [0,2,0,0,0,0|1,0,0]=3 4961 B9R0.42 N[C@@H](CC(=O)CI)C(=O)O Amb27248631 [0,2,0,0,0,0|1,0,0]=3 4962 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [0,2,0,0,0,0|1,0,0]=3 4963 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [0,2,0,0,0,0|2,0,0]=4 4964 B9R0.42 N[C@@H](CC(O)CCl)C(=O)O Amb27837835 [0,2,0,0,0,0|1,0,0]=3 4965 B9R0.42 N[C@@H](CC(O)CF)C(=O)O Amb33036578 [0,2,0,0,0,0|1,0,0]=3 4966 B9R0.42 N[C@@H](CC(O)CO)C(=O)O Amb25870815 [0,2,0,0,0,0|1,0,0]=3 4967 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [0,2,0,0,0,0|2,0,0]=4 4968 B9R0.42 N[C@H](CC(O)CF)C(=O)O Amb32796094 [0,2,0,0,0,0|1,0,0]=3 4969 B9R0.42 N[C@H](CC(O)CO)C(=O)O Amb33036156 [0,2,0,0,0,0|1,0,0]=3 4970 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [0,2,0,0,0,0|2,0,0]=4 4971 B9R0.42 N\C=C(/N)CC(N)C(=O)O Amb28250396 [0,2,0,0,0,0|1,0,1]=4 4972 B9R0.42 O=C(CBr)C[C@H](O)C(=O)O Amb27876238 [0,2,0,0,0,0|2,0,0]=4 4973 B9R0.42 O=C(O)C(Br)CC(Br)CCl Amb28315583 [0,2,0,0,0,0|2,0,0]=4 4974 B9R0.42 O=C(O)C(O)C[C@H](O)CO Amb27984868 [0,2,0,0,0,0|2,0,0]=4 4975 B9R0.47 C#CCCCC(N)C(=O)O Amb27947457 [0,2,0,0,0,0|1,0,0]=3 4976 B9R0.47 C#CCCCC(N)C(=O)O Amb33483976 [0,2,0,0,0,0|1,0,0]=3 4977 B9R0.47 C#CCCCC(N)C(N)=O Amb26967363 [0,2,0,0,0,0|2,0,0]=4 4978 B9R0.47 C#CCCC[C@@H](N)C(=O)O Amb24077358 [0,2,0,0,0,0|1,0,0]=3 4979 B9R0.47 C#CCCC[C@H](N)C(=O)O Amb24088878 [0,2,0,0,0,0|1,0,0]=3 4980 B9R0.47 C#CCNCC(C)C(=O)O Amb9400290 [0,2,0,0,0,0|2,0,0]=4 4981 B9R0.47 C#CCNCC(O)C(=O)O Amb27486394 [0,2,0,0,0,0|2,0,0]=4 4982 B9R0.47 C#CCNC[C@H](S)C(=O)O Amb28077797 [0,2,0,0,0,0|2,0,0]=4 4983 B9R0.47 C#CCOC[C@H](N)C(=O)O Amb27644036 [0,2,0,0,0,0|0,1,0]=3 4984 B9R0.47 C#CCSCC(=O)C(=O)O Amb33069679 [0,2,0,0,0,0|1,0,1]=4 4985 B9R0.47 C#CCSCC(N)C(=O)O Amb6275547 [0,2,0,0,0,0|0,0,0]=2 4986 B9R0.47 C#CCSC[C@H](N)C(=O)O Amb17935864 [0,2,0,0,0,0|0,0,0]=2 4987 B9R0.47 C#C\C=C\CC(N)C(=O)O Amb25147384 [0,2,0,0,0,0|1,0,1]=4 4988 B9R0.47 C=C(CSCCO)C(=O)O Amb27856969 [0,2,0,0,0,0|1,0,1]=4 4989 B9R0.47 C=CCCCC(N)C(=O)O Amb22002149 [0,2,0,0,0,0|1,0,0]=3 4990 B9R0.47 C=CCCCC(N)C(=O)O Amb32752542 [0,2,0,0,0,0|1,0,0]=3 4991 B9R0.47 C=CCCCC(N)C(N)=O Amb25988690 [0,2,0,0,0,0|2,0,0]=4 4992 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb22831130 [0,2,0,0,0,0|1,0,0]=3 4993 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb32687472 [0,2,0,0,0,0|1,0,0]=3 4994 B9R0.47 C=CCCC[C@H](N)C(=O)O Amb2699129 [0,2,0,0,0,0|1,0,0]=3 4995 B9R0.47 C=CCNCC(N)C(=O)O Amb27945606 [0,2,0,0,0,0|1,0,0]=3 4996 B9R0.47 C=CCOCC(N)C(=O)O Amb28048879 [0,2,0,0,0,0|0,1,0]=3 4997 B9R0.47 C=CCOCC(N)C(N)=O Amb26499253 [0,2,0,0,0,0|1,1,0]=4 4998 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb31030961 [0,2,0,0,0,0|0,1,0]=3 4999 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb32941137 [0,2,0,0,0,0|0,1,0]=3 5000 B9R0.47 C=CCOC[C@H](N)C(=O)O Amb24713287 [0,2,0,0,0,0|0,1,0]=3 5001 B9R0.47 C=CCSCC(C)C(=O)O Amb27813038 [0,2,0,0,0,0|1,0,0]=3 5002 B9R0.47 C=CCSCC(Cl)C(=O)O Amb27635176 [0,2,0,0,0,0|1,0,0]=3 5003 B9R0.47 C=CCSCC(N)C(=O)O Amb6270069 [0,2,0,0,0,0|0,0,0]=2 5004 B9R0.47 C=CCSCC(O)C(=O)O Amb27639084 [0,2,0,0,0,0|1,0,0]=3 5005 B9R0.47 C=CCSC[C@@H](C)C(=O)O Amb27955284 [0,2,0,0,0,0|1,0,0]=3 5006 B9R0.47 C=CCSC[C@@H](N)C(=O)O Amb10843878 [0,2,0,0,0,0|0,0,0]=2 5007 B9R0.47 C=CCSC[C@H](N)C(=O)O Amb22231426 [0,2,0,0,0,0|0,0,0]=2 5008 B9R0.47 C=CCSC[C@H](N)C(N)=O Amb28410940 [0,2,0,0,0,0|1,0,0]=3 5009 B9R0.47 C=CSCCC(N)C(=O)O Amb26658187 [0,2,0,0,0,0|0,0,1]=3 5010 B9R0.47 C=C\C=C\CC(N)C(=O)O Amb18643715 [0,2,0,0,0,0|1,0,1]=4 5011 B9R0.47 CC#CCCC(C)C(=O)O Amb27412753 [0,2,0,0,0,0|2,0,0]=4 5012 B9R0.47 CC#CCCC(N)C(=O)O Amb28285646 [0,2,0,0,0,0|1,0,0]=3 5013 B9R0.47 CC#CCCC(N)C(N)=O Amb26893252 [0,2,0,0,0,0|2,0,0]=4 5014 B9R0.47 CC#CCCC(O)C(=O)O Amb27615159 [0,2,0,0,0,0|2,0,0]=4 5015 B9R0.47 CC#CCC[C@@H](N)C(=O)O Amb25835847 [0,2,0,0,0,0|1,0,0]=3 5016 B9R0.47 CC#CCC[C@H](N)C(=O)O Amb28368944 [0,2,0,0,0,0|1,0,0]=3 5017 B9R0.47 CC#CCNC(C)C(=O)O Amb27604977 [0,2,0,0,0,0|2,0,0]=4 5018 B9R0.47 CC(CCCCBr)C(=O)O Amb27790626 [0,2,0,0,0,0|2,0,0]=4 5019 B9R0.47 CC(CCCCF)C(=O)O Amb24370978 [0,2,0,0,0,0|2,0,0]=4 5020 B9R0.47 CC(CCCCN)C(=O)O Amb31031269 [0,2,0,0,0,0|2,0,0]=4 5021 B9R0.47 CC(CCCCO)C(=O)O Amb28040862 [0,2,0,0,0,0|2,0,0]=4 5022 B9R0.47 CC(CNCCCl)C(=O)O Amb27974547 [0,2,0,0,0,0|2,0,0]=4 5023 B9R0.47 CC(CNCCN)C(=O)O Amb27398545 [0,2,0,0,0,0|2,0,0]=4 5024 B9R0.47 CC(CSCC#N)C(=O)O Amb27410286 [0,2,0,0,0,0|1,0,0]=3 5025 B9R0.47 CC(CSCCN)C(=O)O Amb18788221 [0,2,0,0,0,0|1,0,0]=3 5026 B9R0.47 CC(CSCCN)C(=O)O Amb28555435 [0,2,0,0,0,0|1,0,0]=3 5027 B9R0.47 CC(OCCCN)C(=O)O Amb18111477 [0,2,0,0,0,0|2,0,0]=4 5028 B9R0.47 CC(SCCCF)C(=O)O Amb28049559 [0,2,0,0,0,0|2,0,0]=4 5029 B9R0.47 CC(SCCCN)C(=O)O Amb17500677 [0,2,0,0,0,0|2,0,0]=4 5030 B9R0.47 CC(SCCCS)C(=O)O Amb18648366 [0,2,0,0,0,0|2,0,0]=4 5031 B9R0.47 CCCCCC(Br)C(=O)O Amb18130346 [0,2,0,0,0,0|2,0,0]=4 5032 B9R0.47 CCCCCC(F)C(=O)O Amb17593693 [0,2,0,0,0,0|2,0,0]=4 5033 B9R0.47 CCCCCC(N)C(=O)O Amb4134810 [0,2,0,0,0,0|1,0,0]=3 5034 B9R0.47 CCCCCC(N)C(N)=O Amb25843277 [0,2,0,0,0,0|2,0,0]=4 5035 B9R0.47 CCCCCC(N)[PH](=O)O Amb28421761 [0,2,0,0,0,0|2,0,0]=4 5036 B9R0.47 CCCCCC(O)C(=O)O Amb17778103 [0,2,0,0,0,0|2,0,0]=4 5037 B9R0.47 CCCCCC(S)C(=O)O Amb27657706 [0,2,0,0,0,0|2,0,0]=4 5038 B9R0.47 CCCCC[C@@H](Br)C(=O)O Amb27234856 [0,2,0,0,0,0|2,0,0]=4 5039 B9R0.47 CCCCC[C@@H](N)C(=O)O Amb22745982 [0,2,0,0,0,0|1,0,0]=3 5040 B9R0.47 CCCCC[C@@H](O)C(=O)O Amb28050131 [0,2,0,0,0,0|2,0,0]=4 5041 B9R0.47 CCCCC[C@H](Br)C(=O)O Amb28287684 [0,2,0,0,0,0|2,0,0]=4 5042 B9R0.47 CCCCC[C@H](C)C(=O)O Amb10844510 [0,2,0,0,0,0|2,0,0]=4 5043 B9R0.47 CCCCC[C@H](F)C(=O)O Amb27784296 [0,2,0,0,0,0|2,0,0]=4 5044 B9R0.47 CCCCC[C@H](N)C(=O)O Amb17943098 [0,2,0,0,0,0|1,0,0]=3 5045 B9R0.47 CCCCNC(C)C(=O)O Amb9326961 [0,2,0,0,0,0|2,0,0]=4 5046 B9R0.47 CCCCN[C@@H](C)C(=O)O Amb27192156 [0,2,0,0,0,0|2,0,0]=4 5047 B9R0.47 CCCCN[C@H](C)C(=O)O Amb27461559 [0,2,0,0,0,0|2,0,0]=4 5048 B9R0.47 CCCCOC(C)C(=O)O Amb8894957 [0,2,0,0,0,0|2,0,0]=4 5049 B9R0.47 CCCCOC(F)C(=O)O Amb27174586 [0,2,0,0,0,0|2,0,0]=4 5050 B9R0.47 CCCCO[C@@H](C)C(=O)O Amb27216767 [0,2,0,0,0,0|2,0,0]=4 5051 B9R0.47 CCCCSC(C)C(=O)O Amb6273551 [0,2,0,0,0,0|2,0,0]=4 5052 B9R0.47 CCCCSC(F)C(=O)O Amb27850941 [0,2,0,0,0,0|2,0,0]=4 5053 B9R0.47 CCCCSC(N)C(=O)O Amb27760526 [0,2,0,0,0,0|1,0,0]=3 5054 B9R0.47 CCCCS[C@@H](C)C(=O)O Amb27408996 [0,2,0,0,0,0|2,0,0]=4 5055 B9R0.47 CCCNCC(N)C(N)=O Amb27952357 [0,2,0,0,0,0|2,0,0]=4 5056 B9R0.47 CCCOCC(Br)C(=O)O Amb27625667 [0,2,0,0,0,0|1,1,0]=4 5057 B9R0.47 CCCOCC(N)C(=O)O Amb24621740 [0,2,0,0,0,0|0,1,0]=3 5058 B9R0.47 CCCOCC(N)C(N)=O Amb27155900 [0,2,0,0,0,0|1,1,0]=4 5059 B9R0.47 CCCOC[C@@H](N)C(=O)O Amb27480715 [0,2,0,0,0,0|0,1,0]=3 5060 B9R0.47 CCCOC[C@H](N)C(=O)O Amb27223143 [0,2,0,0,0,0|0,1,0]=3 5061 B9R0.47 CCCSCC(C)C(C)=O Amb27262876 [0,2,0,0,0,0|2,0,0]=4 5062 B9R0.47 CCCSCC(N)C(=O)O Amb6265881 [0,2,0,0,0,0|0,0,0]=2 5063 B9R0.47 CCCSCC(N)C(=O)O Amb9176295 [0,2,0,0,0,0|0,0,0]=2 5064 B9R0.47 CCCSC[C@H](N)C(=O)O Amb27471340 [0,2,0,0,0,0|0,0,0]=2 5065 B9R0.47 CCC\C=C/C(N)C(N)=O Amb28249181 [0,2,0,0,0,0|2,0,0]=4 5066 B9R0.47 CCC\C=C\C(C)C(=O)O Amb33449140 [0,2,0,0,0,0|2,0,0]=4 5067 B9R0.47 CCC\C=C\C(O)C(=O)O Amb32668856 [0,2,0,0,0,0|2,0,0]=4 5068 B9R0.47 CCC\C=C\[C@@H](N)C(=O)O Amb27230868 [0,2,0,0,0,0|1,0,0]=3 5069 B9R0.47 CCNCCC(C)C(=O)O Amb27473572 [0,2,0,0,0,0|2,0,0]=4 5070 B9R0.47 CCNCCC(N)C(=O)O Amb932772 [0,2,0,0,0,0|1,0,0]=3 5071 B9R0.47 CCNCC[C@@H](N)C(=O)O Amb28520031 [0,2,0,0,0,0|1,0,0]=3 5072 B9R0.47 CCOCCC(N)C(=O)O Amb32671298 [0,2,0,0,0,0|0,1,0]=3 5073 B9R0.47 CCOCCC(N)C(=O)O Amb9316664 [0,2,0,0,0,0|0,1,0]=3 5074 B9R0.47 CCOCCC(N)C(C)=O Amb28055992 [0,2,0,0,0,0|1,1,0]=4 5075 B9R0.47 CCOCCC(N)C(N)=O Amb25354003 [0,2,0,0,0,0|1,1,0]=4 5076 B9R0.47 CCOCC[C@@H](N)C(=O)O Amb28187742 [0,2,0,0,0,0|0,1,0]=3 5077 B9R0.47 CCOCC[C@H](N)C(=O)O Amb26612670 [0,2,0,0,0,0|0,1,0]=3 5078 B9R0.47 CCOCOC(C)C(=O)O Amb27426180 [0,2,0,0,0,0|1,1,0]=4 5079 B9R0.47 CCOCO[C@H](C)C(=O)O Amb27765041 [0,2,0,0,0,0|1,1,0]=4 5080 B9R0.47 CCONCC(C)C(=O)O Amb27265783 [0,2,0,0,0,0|1,1,0]=4 5081 B9R0.47 CCONCC(N)C(N)=O Amb28045946 [0,2,0,0,0,0|1,1,0]=4 5082 B9R0.47 CCSCCC(=O)C(=O)O Amb26652044 [0,2,0,0,0,0|1,0,1]=4 5083 B9R0.47 CCSCCC(C)C(=O)O Amb10844082 [0,2,0,0,0,0|1,0,0]=3 5084 B9R0.47 CCSCCC(Cl)C(N)=O Amb27614970 [0,2,0,0,0,0|2,0,0]=4 5085 B9R0.47 CCSCCC(N)C(=O)O Amb2137050 [0,2,0,0,0,0|0,0,0]=2 5086 B9R0.47 CCSCCC(N)C(N)=O Amb18177774 [0,2,0,0,0,0|1,0,0]=3 5087 B9R0.47 CCSCCC(O)C(=O)O Amb24482157 [0,2,0,0,0,0|1,0,0]=3 5088 B9R0.47 CCSCCC(O)C(N)=O Amb26926790 [0,2,0,0,0,0|2,0,0]=4 5089 B9R0.47 CCSCC[C@@H](N)C(=O)O Amb17613843 [0,2,0,0,0,0|0,0,0]=2 5090 B9R0.47 CCSCC[C@H](N)C(=O)O Amb17613844 [0,2,0,0,0,0|0,0,0]=2 5091 B9R0.47 CCSSCC(N)C(N)=O Amb27201565 [0,2,0,0,0,0|1,0,0]=3 5092 B9R0.47 CC\C=C\CC(C)C(=O)O Amb27838058 [0,2,0,0,0,0|2,0,0]=4 5093 B9R0.47 CC\C=C\CC(N)C(=O)O Amb25255710 [0,2,0,0,0,0|1,0,0]=3 5094 B9R0.47 CC\C=C\CC(N)C(=O)O Amb30666656 [0,2,0,0,0,0|1,0,0]=3 5095 B9R0.47 CNCCCC(N)C(=O)O Amb18644279 [0,2,0,0,0,0|1,0,0]=3 5096 B9R0.47 CNCCOC(C)C(=O)O Amb18630742 [0,2,0,0,0,0|2,0,0]=4 5097 B9R0.47 CNOCC[C@H](N)C(=O)O Amb27405026 [0,2,0,0,0,0|0,1,0]=3 5098 B9R0.47 COCCCC(C)C(=O)O Amb26653888 [0,2,0,0,0,0|1,1,0]=4 5099 B9R0.47 COCCCC(N)C(=O)O Amb22058809 [0,2,0,0,0,0|0,1,0]=3 5100 B9R0.47 COCCCC(N)C(=O)O Amb33549526 [0,2,0,0,0,0|0,1,0]=3 5101 B9R0.47 COCCCC(N)C(N)=O Amb26331697 [0,2,0,0,0,0|1,1,0]=4 5102 B9R0.47 COCCCC(O)C(=O)O Amb28050541 [0,2,0,0,0,0|1,1,0]=4 5103 B9R0.47 COCCC[C@@H](N)C(=O)O Amb25081508 [0,2,0,0,0,0|0,1,0]=3 5104 B9R0.47 COCCC[C@H](N)C(=O)O Amb25378737 [0,2,0,0,0,0|0,1,0]=3 5105 B9R0.47 COCCNC(C)C(=O)O Amb33069032 [0,2,0,0,0,0|1,1,0]=4 5106 B9R0.47 COCCNC(C)C(=O)O Amb9326996 [0,2,0,0,0,0|1,1,0]=4 5107 B9R0.47 COCCN[C@@H](C)C(=O)O Amb27164971 [0,2,0,0,0,0|1,1,0]=4 5108 B9R0.47 COCCN[C@H](C)C(=O)O Amb27454332 [0,2,0,0,0,0|1,1,0]=4 5109 B9R0.47 COCCOC(C)C(=O)O Amb9719532 [0,2,0,0,0,0|1,1,0]=4 5110 B9R0.47 COCCO[C@H](C)C(=O)O Amb27783895 [0,2,0,0,0,0|1,1,0]=4 5111 B9R0.47 COCOCC(C)C(=O)O Amb27667113 [0,2,0,0,0,0|1,1,0]=4 5112 B9R0.47 COCSCC(C)C(=O)O Amb27474867 [0,2,0,0,0,0|1,0,0]=3 5113 B9R0.47 CONCC[C@H](N)C(=O)O Amb27623933 [0,2,0,0,0,0|0,1,0]=3 5114 B9R0.47 CO\C=C\CC(O)C(=O)O Amb28050044 [0,2,0,0,0,0|1,1,0]=4 5115 B9R0.47 CSCCCC(=O)C(=O)O Amb27490899 [0,2,0,0,0,0|1,0,1]=4 5116 B9R0.47 CSCCCC(C)C(=O)O Amb25888073 [0,2,0,0,0,0|1,0,0]=3 5117 B9R0.47 CSCCCC(C)C(C)=O Amb27841950 [0,2,0,0,0,0|2,0,0]=4 5118 B9R0.47 CSCCCC(Cl)C(N)=O Amb27588927 [0,2,0,0,0,0|2,0,0]=4 5119 B9R0.47 CSCCCC(N)C(=O)O Amb17594057 [0,2,0,0,0,0|0,0,0]=2 5120 B9R0.47 CSCCCC(N)C(=O)O Amb35789017 [0,2,0,0,0,0|0,0,0]=2 5121 B9R0.47 CSCCCC(N)C(N)=O Amb27770389 [0,2,0,0,0,0|1,0,0]=3 5122 B9R0.47 CSCCCC(O)C(=O)O Amb25169340 [0,2,0,0,0,0|1,0,0]=3 5123 B9R0.47 CSCCCC(O)C(N)=O Amb27197765 [0,2,0,0,0,0|2,0,0]=4 5124 B9R0.47 CSCCC[C@@H](N)C(=O)O Amb27233529 [0,2,0,0,0,0|0,0,0]=2 5125 B9R0.47 CSCCC[C@H](N)C(=O)O Amb27858783 [0,2,0,0,0,0|0,0,0]=2 5126 B9R0.47 CSCCNC(=O)C(=O)O Amb27402874 [0,2,0,0,0,0|1,0,1]=4 5127 B9R0.47 CSCCNC(C)C(N)=O Amb27400757 [0,2,0,0,0,0|2,0,0]=4 5128 B9R0.47 CSCCOC(C)C(=O)O Amb24482366 [0,2,0,0,0,0|1,0,0]=3 5129 B9R0.47 CSCCO[C@H](C)C(=O)O Amb27865202 [0,2,0,0,0,0|1,0,0]=3 5130 B9R0.47 CSCCSC(C)C(=O)O Amb28291750 [0,2,0,0,0,0|1,0,0]=3 5131 B9R0.47 CSCC\C=C(\C)C(=O)O Amb27449576 [0,2,0,0,0,0|1,0,1]=4 5132 B9R0.47 CSCSC[C@H](N)C(=O)O Amb26874540 [0,2,0,0,0,0|0,0,0]=2 5133 B9R0.47 CSSCCC(N)C(=O)O Amb28456103 [0,2,0,0,0,0|0,0,0]=2 5134 B9R0.47 C[C@@H](CCCCBr)C(=O)O Amb27794794 [0,2,0,0,0,0|2,0,0]=4 5135 B9R0.47 C[C@@H](NCCCN)C(=O)O Amb25710680 [0,2,0,0,0,0|2,0,0]=4 5136 B9R0.47 C[C@@H](OCCCN)C(=O)O Amb27465122 [0,2,0,0,0,0|2,0,0]=4 5137 B9R0.47 C[C@H](NCCCO)C(=O)O Amb27454333 [0,2,0,0,0,0|2,0,0]=4 5138 B9R0.47 C\C=C\CCC(C)C(=O)O Amb27461427 [0,2,0,0,0,0|2,0,0]=4 5139 B9R0.47 C\C=C\CCC(N)C(=O)O Amb27770583 [0,2,0,0,0,0|1,0,0]=3 5140 B9R0.47 C\C=C\CN[C@@H](C)C(=O)O Amb27601181 [0,2,0,0,0,0|2,0,0]=4 5141 B9R0.47 C\C=C\CN[C@H](C)C(=O)O Amb27440981 [0,2,0,0,0,0|2,0,0]=4 5142 B9R0.47 C\C=C\CO[C@@H](C)C(=O)O Amb27426114 [0,2,0,0,0,0|2,0,0]=4 5143 B9R0.47 C\C=C\CO[C@H](C)C(=O)O Amb28384040 [0,2,0,0,0,0|2,0,0]=4 5144 B9R0.47 N#CCCCC(Cl)C(=O)O Amb17594023 [0,2,0,0,0,0|2,0,0]=4 5145 B9R0.47 N#CCCCC(N)C(=O)O Amb25242567 [0,2,0,0,0,0|1,0,0]=3 5146 B9R0.47 N#CCCCC(N)C(N)=O Amb33308858 [0,2,0,0,0,0|2,0,0]=4 5147 B9R0.47 N#CCCC[C@@H](N)C(=O)O Amb28349132 [0,2,0,0,0,0|1,0,0]=3 5148 B9R0.47 N#CCCC[C@H](N)C(=O)O Amb26043277 [0,2,0,0,0,0|1,0,0]=3 5149 B9R0.47 N#CCSCC(=O)C(=O)O Amb33069976 [0,2,0,0,0,0|1,0,1]=4 5150 B9R0.47 N#CCSC[C@H](N)C(=O)O Amb18179968 [0,2,0,0,0,0|0,0,0]=2 5151 B9R0.47 N#CNCCC(N)C(=O)O Amb27180972 [0,2,0,0,0,0|1,0,1]=4 5152 B9R0.47 N#CSCCC(N)C(=O)O Amb27984671 [0,2,0,0,0,0|0,0,1]=3 5153 B9R0.47 N#CSSCC(N)C(=O)O Amb27232837 [0,2,0,0,0,0|0,0,1]=3 5154 B9R0.47 NC(=O)C(N)CCCCBr Amb28313246 [0,2,0,0,0,0|2,0,0]=4 5155 B9R0.47 NC(=O)C(N)CCCCF Amb27977425 [0,2,0,0,0,0|2,0,0]=4 5156 B9R0.47 NC(=O)C(N)CCCCO Amb33065912 [0,2,0,0,0,0|2,0,0]=4 5157 B9R0.47 NC(CC#CCCl)C(=O)O Amb28123330 [0,2,0,0,0,0|1,0,0]=3 5158 B9R0.47 NC(CCCCF)C(=O)O Amb28193271 [0,2,0,0,0,0|1,0,0]=3 5159 B9R0.47 NC(CCCCO)C(=O)O Amb2699159 [0,2,0,0,0,0|1,0,0]=3 5160 B9R0.47 NC(CCSN=O)C(=O)O Amb26516416 [0,2,0,0,0,0|1,0,0]=3 5161 B9R0.47 NC(COCCCl)C(=O)O Amb18126477 [0,2,0,0,0,0|0,1,0]=3 5162 B9R0.47 NC(CSCCO)C(=O)O Amb6262852 [0,2,0,0,0,0|0,0,0]=2 5163 B9R0.47 NC(CSCCS)C(=O)O Amb27837996 [0,2,0,0,0,0|0,0,0]=2 5164 B9R0.47 NC(CS\C=C\Cl)C(=O)O Amb28325993 [0,2,0,0,0,0|0,0,1]=3 5165 B9R0.47 NC(C\C=C/CO)C(=O)O Amb28046143 [0,2,0,0,0,0|1,0,0]=3 5166 B9R0.47 NCC#CCC(N)C(=O)O Amb25369913 [0,2,0,0,0,0|1,0,0]=3 5167 B9R0.47 NCC#CCC(N)C(=O)O Amb28555546 [0,2,0,0,0,0|1,0,0]=3 5168 B9R0.47 NCC#CC[C@@H](N)C(=O)O Amb24118079 [0,2,0,0,0,0|1,0,0]=3 5169 B9R0.47 NCC#CC[C@H](N)C(=O)O Amb28134098 [0,2,0,0,0,0|1,0,0]=3 5170 B9R0.47 NCCCCC(N)C(=O)O Amb22349470 [0,2,0,0,0,0|1,0,0]=3 5171 B9R0.47 NCCCCC(N)C(=O)O Amb22489521 [0,2,0,0,0,0|1,0,0]=3 5172 B9R0.47 NCCCCC(N)C(=O)O Amb3940540 [0,2,0,0,0,0|1,0,0]=3 5173 B9R0.47 NCCCCC(N)C(=O)O Amb8516470 [0,2,0,0,0,0|1,0,0]=3 5174 B9R0.47 NCCCCC(N)C(=O)O Amb8516682 [0,2,0,0,0,0|1,0,0]=3 5175 B9R0.47 NCCCCC(N)C(N)=O Amb17593646 [0,2,0,0,0,0|2,0,0]=4 5176 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb22750565 [0,2,0,0,0,0|1,0,0]=3 5177 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb2720180 [0,2,0,0,0,0|1,0,0]=3 5178 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb30621835 [0,2,0,0,0,0|1,0,0]=3 5179 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb3940874 [0,2,0,0,0,0|1,0,0]=3 5180 B9R0.47 NCCCC[C@@H](N)C(N)=O Amb27404620 [0,2,0,0,0,0|2,0,0]=4 5181 B9R0.47 NCCCC[C@H](N)C(=O)O Amb2720055 [0,2,0,0,0,0|1,0,0]=3 5182 B9R0.47 NCCCC[C@H](N)C(=O)O Amb3940762 [0,2,0,0,0,0|1,0,0]=3 5183 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8395455 [0,2,0,0,0,0|1,0,0]=3 5184 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8513720 [0,2,0,0,0,0|1,0,0]=3 5185 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628529 [0,2,0,0,0,0|1,0,0]=3 5186 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628598 [0,2,0,0,0,0|1,0,0]=3 5187 B9R0.47 NCCCC[C@H](N)C(N)=O Amb33757921 [0,2,0,0,0,0|2,0,0]=4 5188 B9R0.47 NCCCOC(N)C(=O)O Amb27838076 [0,2,0,0,0,0|1,0,0]=3 5189 B9R0.47 NCCCS[C@H](N)C(=O)O Amb27410557 [0,2,0,0,0,0|1,0,0]=3 5190 B9R0.47 NCCOCC(N)C(=O)O Amb27224745 [0,2,0,0,0,0|0,1,0]=3 5191 B9R0.47 NCCOC[C@H](N)C(=O)O Amb26844671 [0,2,0,0,0,0|0,1,0]=3 5192 B9R0.47 NCCSCC(=O)C(=O)O Amb33069793 [0,2,0,0,0,0|1,0,1]=4 5193 B9R0.47 NCCSCC(O)C(=O)O Amb27789579 [0,2,0,0,0,0|1,0,0]=3 5194 B9R0.47 NCCSC[C@@H](N)C(=O)O Amb27945627 [0,2,0,0,0,0|0,0,0]=2 5195 B9R0.47 NCCSC[C@H](N)C(=O)O Amb22362775 [0,2,0,0,0,0|0,0,0]=2 5196 B9R0.47 NCCSC[C@H](N)C(=O)O Amb25887551 [0,2,0,0,0,0|0,0,0]=2 5197 B9R0.47 NCSCCC(N)C(=O)O Amb27468506 [0,2,0,0,0,0|0,0,0]=2 5198 B9R0.47 NCSCC[C@H](N)C(=O)O Amb27425090 [0,2,0,0,0,0|0,0,0]=2 5199 B9R0.47 NC\C=C\CC(N)C(=O)O Amb22800680 [0,2,0,0,0,0|1,0,0]=3 5200 B9R0.47 NOCCCC(N)C(=O)O Amb24117962 [0,2,0,0,0,0|1,0,0]=3 5201 B9R0.47 NOCCCC(N)C(=O)O Amb27222313 [0,2,0,0,0,0|1,0,0]=3 5202 B9R0.47 NOCCC[C@H](N)C(=O)O Amb28397870 [0,2,0,0,0,0|1,0,0]=3 5203 B9R0.47 N[C@@H](CCCC=O)C(=O)O Amb2695588 [0,2,0,0,0,0|1,0,0]=3 5204 B9R0.47 N[C@@H](CCCCBr)C(=O)O Amb28208462 [0,2,0,0,0,0|1,0,0]=3 5205 B9R0.47 N[C@@H](CCCCCl)C(=O)O Amb27267870 [0,2,0,0,0,0|1,0,0]=3 5206 B9R0.47 N[C@@H](CCCCF)C(=O)O Amb27945388 [0,2,0,0,0,0|1,0,0]=3 5207 B9R0.47 N[C@@H](CCCCO)C(=O)O Amb2695139 [0,2,0,0,0,0|1,0,0]=3 5208 B9R0.47 N[C@@H](CCCCS)C(=O)O Amb25729289 [0,2,0,0,0,0|1,0,0]=3 5209 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb29083430 [0,2,0,0,0,0|1,0,0]=3 5210 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb30666629 [0,2,0,0,0,0|1,0,0]=3 5211 B9R0.47 N[C@@H](CCSN=O)C(=O)O Amb24665147 [0,2,0,0,0,0|1,0,0]=3 5212 B9R0.47 N[C@@H](CNCCO)C(=O)O Amb25146307 [0,2,0,0,0,0|1,0,0]=3 5213 B9R0.47 N[C@@H](COCCCl)C(=O)O Amb28134274 [0,2,0,0,0,0|0,1,0]=3 5214 B9R0.47 N[C@@H](CSCCCl)C(=O)O Amb25887675 [0,2,0,0,0,0|0,0,0]=2 5215 B9R0.47 N[C@@H](CSCCF)C(=O)O Amb27837852 [0,2,0,0,0,0|0,0,0]=2 5216 B9R0.47 N[C@@H](CSCCO)C(=O)O Amb2695551 [0,2,0,0,0,0|0,0,0]=2 5217 B9R0.47 N[C@H](CC#CCO)C(=O)O Amb27391610 [0,2,0,0,0,0|1,0,0]=3 5218 B9R0.47 N[C@H](CCCC=O)C(=O)O Amb27272621 [0,2,0,0,0,0|1,0,0]=3 5219 B9R0.47 N[C@H](CCCCF)C(=O)O Amb26370180 [0,2,0,0,0,0|1,0,0]=3 5220 B9R0.47 N[C@H](CCCCO)C(=O)O Amb26969244 [0,2,0,0,0,0|1,0,0]=3 5221 B9R0.47 N[C@H](CSCCO)C(=O)O Amb8629048 [0,2,0,0,0,0|0,0,0]=2 5222 B9R0.47 N[C@H](\C=C\CCO)C(=O)O Amb24603441 [0,2,0,0,0,0|1,0,1]=4 5223 B9R0.47 O=C(O)C(=O)CSCCBr Amb33069761 [0,2,0,0,0,0|1,0,1]=4 5224 B9R0.47 O=C(O)C(=O)CSCCCl Amb33069754 [0,2,0,0,0,0|1,0,1]=4 5225 B9R0.47 O=C(O)C(=O)CSCCO Amb33069731 [0,2,0,0,0,0|1,0,1]=4 5226 B9R0.47 O=C(O)C(=O)CSCCS Amb33069996 [0,2,0,0,0,0|1,0,1]=4 5227 B9R0.47 O=C(O)C(Cl)CSCCCl Amb27949681 [0,2,0,0,0,0|1,0,0]=3 5228 B9R0.47 O=C(O)C(O)CCCCO Amb18644356 [0,2,0,0,0,0|2,0,0]=4 5229 B9R0.47 O=C(O)C(O)CNCCO Amb27456529 [0,2,0,0,0,0|2,0,0]=4 5230 B9R0.47 O=CCSCC(=O)C(=O)O Amb33069914 [0,2,0,0,0,0|1,0,1]=4 5231 B9R0.47 [N-]=[N+]=NCCC(N)C(=O)O Amb25766449 [0,2,0,0,0,0|2,0,0]=4 5232 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O Amb19130389 [0,2,0,0,0,0|2,0,0]=4 5233 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O Amb16183915 [0,2,0,0,0,0|2,0,0]=4 5234 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O Amb30586484 [0,2,0,0,0,0|2,0,0]=4 5235 B9R0.51 C=CCCC(C)(N)C(=O)O Amb24524526 [0,2,0,0,0,0|1,0,1]=4 5236 B9R0.51 C=CCC[C@](C)(N)C(=O)O Amb24478852 [0,2,0,0,0,0|1,0,1]=4 5237 B9R0.51 CC(C)(CCCCl)C(=O)O Amb27601953 [0,2,0,0,0,0|2,0,0]=4 5238 B9R0.51 CC(C)(CCCF)C(=O)O Amb28049560 [0,2,0,0,0,0|2,0,0]=4 5239 B9R0.51 CC(C)(CCCN)C(=O)O Amb26855022 [0,2,0,0,0,0|2,0,0]=4 5240 B9R0.51 CC(C)(CCCN)C(=O)O Amb27601033 [0,2,0,0,0,0|2,0,0]=4 5241 B9R0.51 CC(C)(CCCO)C(=O)O Amb28410873 [0,2,0,0,0,0|2,0,0]=4 5242 B9R0.51 CC(N)(CCCF)C(=O)O Amb32670154 [0,2,0,0,0,0|1,0,0]=3 5243 B9R0.51 CC(N)(CCCN)C(=O)O Amb18644277 [0,2,0,0,0,0|1,0,0]=3 5244 B9R0.51 CC(N)(CCCN)C(=O)O Amb2697838 [0,2,0,0,0,0|1,0,0]=3 5245 B9R0.51 CC(N)(CN=[N+]=[N-])C(=O)O Amb27411824 [0,2,0,0,0,0|2,0,0]=4 5246 B9R0.51 CC(O)(CCCF)C(=O)O Amb33196095 [0,2,0,0,0,0|2,0,0]=4 5247 B9R0.51 CCCCC(C)(Br)C(=O)O Amb28198025 [0,2,0,0,0,0|2,0,0]=4 5248 B9R0.51 CCCCC(C)(C)C(=O)O Amb2687527 [0,2,0,0,0,0|2,0,0]=4 5249 B9R0.51 CCCCC(C)(F)C(=O)O Amb24444856 [0,2,0,0,0,0|2,0,0]=4 5250 B9R0.51 CCCCC(C)(N)C(=O)O Amb33743440 [0,2,0,0,0,0|1,0,0]=3 5251 B9R0.51 CCCCC(C)(N)C(=O)O Amb4134834 [0,2,0,0,0,0|1,0,0]=3 5252 B9R0.51 CCCCC(C)(O)C(=O)O Amb17593657 [0,2,0,0,0,0|2,0,0]=4 5253 B9R0.51 CCCCC(Cl)(Cl)C(=O)O Amb2720177 [0,2,0,0,0,0|2,0,0]=4 5254 B9R0.51 CCCCC(F)(F)C(=O)O Amb19929267 [0,2,0,0,0,0|2,0,0]=4 5255 B9R0.51 CCCCC(O)(O)C(=O)O Amb28059576 [0,2,0,0,0,0|2,0,0]=4 5256 B9R0.51 CCCC[C@@](C)(N)C(=O)O Amb26346904 [0,2,0,0,0,0|1,0,0]=3 5257 B9R0.51 CCCC[C@@](C)(O)C(=O)O Amb27221053 [0,2,0,0,0,0|2,0,0]=4 5258 B9R0.51 CCCC[C@](C)(N)C(=O)O Amb25961122 [0,2,0,0,0,0|1,0,0]=3 5259 B9R0.51 CCCC[C@](C)(O)C(=O)O Amb27615053 [0,2,0,0,0,0|2,0,0]=4 5260 B9R0.51 CCCNC(C)(C)C(=O)O Amb9620095 [0,2,0,0,0,0|2,0,0]=4 5261 B9R0.51 CCCSC(C)(C)C(=O)O Amb17501481 [0,2,0,0,0,0|2,0,0]=4 5262 B9R0.51 CCCSC(F)(F)C(=O)O Amb27483837 [0,2,0,0,0,0|2,0,0]=4 5263 B9R0.51 CCNCC(F)(F)C(=O)O Amb33170567 [0,2,0,0,0,0|2,0,0]=4 5264 B9R0.51 CCOCC(C)(C)C(=O)O Amb27810825 [0,2,0,0,0,0|1,1,0]=4 5265 B9R0.51 CCOCC(C)(N)C(=O)O Amb27404396 [0,2,0,0,0,0|0,1,0]=3 5266 B9R0.51 CCOCC(C)(N)C(N)=O Amb27253744 [0,2,0,0,0,0|1,1,0]=4 5267 B9R0.51 CCOCC(C)(O)C(=O)O Amb27949919 [0,2,0,0,0,0|1,1,0]=4 5268 B9R0.51 CCOCC(F)(F)C(=O)O Amb33171237 [0,2,0,0,0,0|1,1,0]=4 5269 B9R0.51 CCSCC(C)(C)C(=O)O Amb26439975 [0,2,0,0,0,0|1,0,0]=3 5270 B9R0.51 CCSCC(C)(N)C(=O)O Amb18788224 [0,2,0,0,0,0|0,0,0]=2 5271 B9R0.51 CCSCC(F)(F)C(=O)O Amb33171137 [0,2,0,0,0,0|1,0,0]=3 5272 B9R0.51 CCSCC(F)(F)C(N)=O Amb2687941 [0,2,0,0,0,0|2,0,0]=4 5273 B9R0.51 COCCC(C)(C)C(=O)O Amb19029437 [0,2,0,0,0,0|1,1,0]=4 5274 B9R0.51 COCCC(C)(Cl)C(=O)O Amb27878699 [0,2,0,0,0,0|1,1,0]=4 5275 B9R0.51 COCCC(C)(O)C(=O)O Amb23454643 [0,2,0,0,0,0|1,1,0]=4 5276 B9R0.51 COCCC(F)(F)C(=O)O Amb33476906 [0,2,0,0,0,0|1,1,0]=4 5277 B9R0.51 COCC[C@](C)(N)C(=O)O Amb27425033 [0,2,0,0,0,0|0,1,0]=3 5278 B9R0.51 CONCC(F)(F)C(=O)O Amb33170282 [0,2,0,0,0,0|1,1,0]=4 5279 B9R0.51 CSCCC(C)(C)C(=O)O Amb10844081 [0,2,0,0,0,0|1,0,0]=3 5280 B9R0.51 CSCCC(C)(N)[PH](=O)O Amb27394208 [0,2,0,0,0,0|1,0,0]=3 5281 B9R0.51 CSCCC(C)(O)C(=O)O Amb33271718 [0,2,0,0,0,0|1,0,0]=3 5282 B9R0.51 CSCCC(F)(F)C(=O)O Amb33010112 [0,2,0,0,0,0|1,0,0]=3 5283 B9R0.51 CSCC[C@@](C)(N)C(=O)O Amb24482190 [0,2,0,0,0,0|0,0,0]=2 5284 B9R0.51 CS\C=C\C(C)(C)C(=O)O Amb27983718 [0,2,0,0,0,0|1,0,1]=4 5285 B9R0.51 C[C@@](N)(CCCN)C(=O)O Amb27468967 [0,2,0,0,0,0|1,0,0]=3 5286 B9R0.51 C[C@](O)(CCCO)C(=O)O Amb27252130 [0,2,0,0,0,0|2,0,0]=4 5287 B9R0.51 C\C=C\CC(C)(C)C(=O)O Amb18643881 [0,2,0,0,0,0|2,0,0]=4 5288 B9R0.51 C\C=C\CC(C)(N)C(=O)O Amb27591750 [0,2,0,0,0,0|1,0,0]=3 5289 B9R0.51 C\C=C\CC(F)(Cl)C(=O)O Amb25780002 [0,2,0,0,0,0|2,0,0]=4 5290 B9R0.51 C\C=C\C[C@@](C)(F)C(=O)O Amb28050047 [0,2,0,0,0,0|2,0,0]=4 5291 B9R0.51 NCCCC(Cl)(Cl)C(=O)O Amb17594797 [0,2,0,0,0,0|2,0,0]=4 5292 B9R0.51 O=C(O)C(F)(F)CCCF Amb33482365 [0,2,0,0,0,0|2,0,0]=4 5293 B9R0.51 O=C(O)C(F)(F)CCCO Amb24652882 [0,2,0,0,0,0|2,0,0]=4 5294 B9R0.11 C=C(C)CC(C)(C)C(=O)O Amb27619182 [0,2,0,0,0,0|2,0,0]=4 5295 B9R0.11 C=C(C)CC(C)(N)C(=O)O Amb27838051 [0,2,0,0,0,0|1,0,0]=3 5296 B9R0.11 C=C(C)CC(C)(O)C(=O)O Amb24763776 [0,2,0,0,0,0|2,0,0]=4 5297 B9R0.11 C=C(C)CC(F)(F)C(=O)O Amb26356276 [0,2,0,0,0,0|2,0,0]=4 5298 B9R0.11 C=C(C)C[C@](C)(O)C(=O)O Amb27618953 [0,2,0,0,0,0|2,0,0]=4 5299 B9R0.11 C=C(F)C[C@](C)(N)C(=O)O Amb27440834 [0,2,0,0,0,0|1,0,1]=4 5300 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [0,2,0,0,0,0|2,0,0]=4 5301 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [0,2,0,0,0,0|2,0,0]=4 5302 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [0,2,0,0,0,0|2,0,0]=4 5303 B9R0.11 CC(=O)NC(C)(N)C(=O)O Amb27881127 [0,2,0,0,0,0|2,0,0]=4 5304 B9R0.11 CC(C)CC(C)(C)C(=O)O Amb10843993 [0,2,0,0,0,0|2,0,0]=4 5305 B9R0.11 CC(C)CC(C)(F)C(=O)O Amb25997944 [0,2,0,0,0,0|2,0,0]=4 5306 B9R0.11 CC(C)CC(C)(N)C(=O)O Amb4134832 [0,2,0,0,0,0|1,0,0]=3 5307 B9R0.11 CC(C)CC(C)(N)C(N)=O Amb18288986 [0,2,0,0,0,0|2,0,0]=4 5308 B9R0.11 CC(C)CC(C)(O)C(=O)O Amb18523766 [0,2,0,0,0,0|2,0,0]=4 5309 B9R0.11 CC(C)CC(F)(F)C(=O)O Amb25773701 [0,2,0,0,0,0|2,0,0]=4 5310 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O Amb8630501 [0,2,0,0,0,0|1,0,0]=3 5311 B9R0.11 CC(C)C[C@](C)(N)C(=O)O Amb10066904 [0,2,0,0,0,0|1,0,0]=3 5312 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,2,0,0,0,0|2,0,0]=4 5313 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [0,2,0,0,0,0|2,0,0]=4 5314 B9R0.11 CC(N)CC(C)(C)C(=O)O Amb27881524 [0,2,0,0,0,0|2,0,0]=4 5315 B9R0.11 CC(O)CC(C)(N)C(=O)O Amb28289237 [0,2,0,0,0,0|1,0,0]=3 5316 B9R0.11 CC(O)CC(C)(N)C(N)=O Amb35725166 [0,2,0,0,0,0|2,0,0]=4 5317 B9R0.11 CC(S)CC(C)(C)C(=O)O Amb35675430 [0,2,0,0,0,0|2,0,0]=4 5318 B9R0.11 CN(C)CC(C)(C)C(=O)O Amb17334247 [0,2,0,0,0,0|2,0,0]=4 5319 B9R0.11 CN(C)CC(C)(C)C(=O)O Amb33527437 [0,2,0,0,0,0|2,0,0]=4 5320 B9R0.11 CN(C)CC(C)(N)C(=O)O Amb18294465 [0,2,0,0,0,0|1,0,0]=3 5321 B9R0.11 CN(C)CC(F)(F)C(=O)O Amb25857752 [0,2,0,0,0,0|2,0,0]=4 5322 B9R0.11 CN(O)CC(C)(O)C(=O)O Amb28349124 [0,2,0,0,0,0|2,0,0]=4 5323 B9R0.11 CN(O)CC(F)(F)C(=O)O Amb33169729 [0,2,0,0,0,0|2,0,0]=4 5324 B9R0.11 CS(=O)CC(C)(C)C(=O)O Amb28049647 [0,2,0,0,0,0|1,0,1]=4 5325 B9R0.11 CS(=O)CC(C)(O)C(=O)O Amb27984742 [0,2,0,0,0,0|1,0,1]=4 5326 B9R0.11 CS(=O)CC(F)(F)C(=O)O Amb33169820 [0,2,0,0,0,0|1,0,1]=4 5327 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [0,2,0,0,0,0|2,0,0]=4 5328 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,2,0,0,0,0|2,0,0]=4 5329 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [0,2,0,0,0,0|2,0,0]=4 5330 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [0,2,0,0,0,0|2,0,0]=4 5331 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [0,2,0,0,0,0|2,0,0]=4 5332 B9R0.16 CNCC(C)(N)P(=O)(O)O Amb27837966 [0,2,0,0,0,0|2,0,0]=4 5333 B9R0.74 C=CC[C@](N)(CC)C(=O)O Amb28364724 [0,2,0,0,0,0|1,0,1]=4 5334 B9R0.74 C=CC[C@](O)(CN)C(=O)O Amb27622943 [0,2,0,0,0,0|1,0,1]=4 5335 B9R0.74 CC(CN)(CCO)C(=O)O Amb28136078 [0,2,0,0,0,0|2,0,0]=4 5336 B9R0.74 CCC(N)(COC)C(=O)O Amb27644263 [0,2,0,0,0,0|0,1,0]=3 5337 B9R0.74 CCC(N)(COC)C(=O)O Amb28555556 [0,2,0,0,0,0|0,1,0]=3 5338 B9R0.74 CCC(N)(COC)C(C)=O Amb27636316 [0,2,0,0,0,0|1,1,0]=4 5339 B9R0.74 CCC(N)(COC)C(N)=O Amb27837564 [0,2,0,0,0,0|1,1,0]=4 5340 B9R0.74 CCCC(Br)(CC)C(=O)O Amb27614914 [0,2,0,0,0,0|2,0,0]=4 5341 B9R0.74 CCCC(C)(CC)C(=O)O Amb18311361 [0,2,0,0,0,0|2,0,0]=4 5342 B9R0.74 CCCC(N)(CO)C(=O)O Amb27668101 [0,2,0,0,0,0|1,0,0]=3 5343 B9R0.74 CCC[C@@](C)(CC)C(=O)O Amb28119970 [0,2,0,0,0,0|2,0,0]=4 5344 B9R0.74 CCC[C@@](C)(OC)C(=O)O Amb27770608 [0,2,0,0,0,0|2,0,0]=4 5345 B9R0.74 CCC[C@@](N)(CN)C(=O)O Amb27253064 [0,2,0,0,0,0|1,0,0]=3 5346 B9R0.74 CCC[C@](C)(CC)C(=O)O Amb28398097 [0,2,0,0,0,0|2,0,0]=4 5347 B9R0.74 CCC[C@](O)(CC)C(=O)O Amb27977076 [0,2,0,0,0,0|2,0,0]=4 5348 B9R0.74 CC[C@@](N)(CNC)C(=O)O Amb27468012 [0,2,0,0,0,0|1,0,0]=3 5349 B9R0.74 CNC(C)(COC)C(=O)O Amb19025782 [0,2,0,0,0,0|0,1,0]=3 5350 B9R0.74 CNC(C)(COC)C(=O)O Amb28555445 [0,2,0,0,0,0|0,1,0]=3 5351 B9R0.74 CNCC(C)(C#N)C(=O)O Amb26934945 [0,2,0,0,0,0|1,0,1]=4 5352 B9R0.74 COCC(C)(C#N)C(=O)O Amb27838060 [0,2,0,0,0,0|0,1,1]=4 5353 B9R0.74 COCC(C)(CN)C(=O)O Amb27488982 [0,2,0,0,0,0|0,1,0]=3 5354 B9R0.74 COCC(C)(OC)C(=O)O Amb19024322 [0,2,0,0,0,0|1,1,0]=4 5355 B9R0.74 COCC(C)(ON)C(=O)O Amb32660195 [0,2,0,0,0,0|0,1,0]=3 5356 B9R0.74 COCC(F)(ON)C(=O)O Amb32660201 [0,2,0,0,0,0|0,1,0]=3 5357 B9R0.74 COCC(O)(CO)C(=O)O Amb27465024 [0,2,0,0,0,0|1,1,0]=4 5358 B9R0.74 C\C=C\[C@](N)(CC)C(=O)O Amb27799654 [0,2,0,0,0,0|1,0,1]=4 5359 B9R0.74 NC(CO)(CCF)C(=O)O Amb32670159 [0,2,0,0,0,0|2,0,0]=4 5360 B9R0.74 NCC(O)(CCO)C(=O)O Amb27975659 [0,2,0,0,0,0|2,0,0]=4 5361 B9R0.9 CSCC(CN)S(=O)(=O)O Amb27867319 [0,2,0,0,0,0|1,0,0]=3 5362 B9R0.10 CC(C)CC(N)P(=O)(O)O Amb564159 [0,2,0,0,0,0|2,0,0]=4 5363 B9R0.10 CC(C)CC(N)S(=O)(=O)O Amb24390196 [0,2,0,0,0,0|2,0,0]=4 5364 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O Amb25992755 [0,2,0,0,0,0|2,0,0]=4 5365 B9R0.10 CC(C)C[C@H](N)P(=O)(O)O Amb25889931 [0,2,0,0,0,0|2,0,0]=4 5366 B9R0.15 C#CCC(NC#N)C(=O)O Amb35634511 [0,2,0,0,0,0|1,0,1]=4 5367 B9R0.15 C#CCC(NC=O)C(=O)O Amb25069360 [0,2,0,0,0,0|1,0,1]=4 5368 B9R0.15 C=C=CC(CCC)C(=O)O Amb17593546 [0,2,0,0,0,0|2,0,0]=4 5369 B9R0.15 C=CCC(CCC)C(=O)O Amb17619617 [0,2,0,0,0,0|2,0,0]=4 5370 B9R0.15 C=CCC(COC)C(=O)O Amb18644105 [0,2,0,0,0,0|1,1,0]=4 5371 B9R0.15 C=CCC(NC=O)C(=O)O Amb24641210 [0,2,0,0,0,0|1,0,1]=4 5372 B9R0.15 CC#CC(CCC)C(=O)O Amb27590192 [0,2,0,0,0,0|2,0,0]=4 5373 B9R0.15 CCCC(CC=O)C(=O)O Amb27786319 [0,2,0,0,0,0|2,0,0]=4 5374 B9R0.15 CCCC(CCC)C(=O)O Amb3940097 [0,2,0,0,0,0|2,0,0]=4 5375 B9R0.15 CCCC(CCCl)C(=O)O Amb27427463 [0,2,0,0,0,0|2,0,0]=4 5376 B9R0.15 CCCC(CCF)C(=O)O Amb27837855 [0,2,0,0,0,0|2,0,0]=4 5377 B9R0.15 CCCC(CCN)C(=O)O Amb33756786 [0,2,0,0,0,0|1,0,0]=3 5378 B9R0.15 CCCC(N=C=S)C(=O)O Amb33471537 [0,2,0,0,0,0|1,0,1]=4 5379 B9R0.15 CCCC(NC=O)C(=O)O Amb9871545 [0,2,0,0,0,0|1,0,0]=3 5380 B9R0.15 CCCC(NCC)C(=O)O Amb9496319 [0,2,0,0,0,0|1,0,0]=3 5381 B9R0.15 CCCC(OCC)C(=O)O Amb28050125 [0,2,0,0,0,0|2,0,0]=4 5382 B9R0.15 CCC[C@@H](N=C=O)C(=O)O Amb33471348 [0,2,0,0,0,0|1,0,1]=4 5383 B9R0.15 CCC[C@@H](N=C=S)C(=O)O Amb33471577 [0,2,0,0,0,0|1,0,1]=4 5384 B9R0.15 CCC[C@@H](NC=O)C(=O)O Amb27831939 [0,2,0,0,0,0|1,0,0]=3 5385 B9R0.15 CCC[C@@H](NCC)C(=O)O Amb33347491 [0,2,0,0,0,0|1,0,0]=3 5386 B9R0.15 CCC[C@H](N=C=O)C(=O)O Amb33471344 [0,2,0,0,0,0|1,0,1]=4 5387 B9R0.15 CCC[C@H](N=C=S)C(=O)O Amb33471574 [0,2,0,0,0,0|1,0,1]=4 5388 B9R0.15 CCC[C@H](NCC)C(=O)O Amb33347483 [0,2,0,0,0,0|1,0,0]=3 5389 B9R0.15 CCNC(CCN)C(=O)O Amb27830036 [0,2,0,0,0,0|2,0,0]=4 5390 B9R0.15 CCNC(CSC)C(N)=O Amb18788150 [0,2,0,0,0,0|1,0,0]=3 5391 B9R0.15 CCN[C@H](COC)C(=O)O Amb33347499 [0,2,0,0,0,0|0,1,0]=3 5392 B9R0.15 CCOC(COC)C(=O)O Amb28348050 [0,2,0,0,0,0|1,1,0]=4 5393 B9R0.15 COCC(N=C=O)C(=O)O Amb33471318 [0,2,0,0,0,0|0,1,1]=4 5394 B9R0.15 COCC(N=C=S)C(=O)O Amb33471549 [0,2,0,0,0,0|0,1,1]=4 5395 B9R0.15 COCC(NC=O)C(=O)O Amb25378764 [0,2,0,0,0,0|0,1,0]=3 5396 B9R0.15 COC[C@H](N=C=O)C(=O)O Amb33471381 [0,2,0,0,0,0|0,1,1]=4 5397 B9R0.15 COC[C@H](N=C=S)C(=O)O Amb33471601 [0,2,0,0,0,0|0,1,1]=4 5398 B9R0.15 COC[C@H](NC=O)C(=O)O Amb27390202 [0,2,0,0,0,0|0,1,0]=3 5399 B9R0.15 CSCC(CSC)C(=O)O Amb26392213 [0,2,0,0,0,0|1,0,0]=3 5400 B9R0.15 CSCC(N=C=O)C(=O)O Amb33471313 [0,2,0,0,0,0|0,0,1]=3 5401 B9R0.15 CSCC(N=C=S)C(=O)O Amb33471543 [0,2,0,0,0,0|0,0,1]=3 5402 B9R0.15 CSCC(NCO)C(=O)O Amb28137810 [0,2,0,0,0,0|0,0,0]=2 5403 B9R0.15 C\C=C\C(CCC)C(=O)O Amb18643916 [0,2,0,0,0,0|2,0,0]=4 5404 B9R0.15 N#CCC(NC=O)C(=O)O Amb33066274 [0,2,0,0,0,0|2,0,0]=4 5405 B9R0.15 NCCC(CCF)C(=O)O Amb27870809 [0,2,0,0,0,0|2,0,0]=4 5406 B9R0.15 NCCC(CCN)C(=O)O Amb20622689 [0,2,0,0,0,0|2,0,0]=4 5407 B9R0.15 NCCC(CCN)C(=O)O Amb24120603 [0,2,0,0,0,0|2,0,0]=4 5408 B9R0.15 O=CNC(CCF)C(=O)O Amb26995646 [0,2,0,0,0,0|2,0,0]=4 5409 B9R0.15 O=CNC(CCO)C(=O)O Amb18305692 [0,2,0,0,0,0|2,0,0]=4 5410 B9R0.15 O=CN[C@H](CCO)C(=O)O Amb27238455 [0,2,0,0,0,0|2,0,0]=4 5411 B9R0.33 C=CCC(C(=O)O)N(C)C Amb28241066 [0,2,0,0,0,0|1,0,1]=4 5412 B9R0.33 CCCC(C(=O)O)C(=O)O Amb8384909 [0,2,0,0,0,0|2,0,0]=4 5413 B9R0.33 CCCC(C(=O)O)C(C)C Amb17616275 [0,2,0,0,0,0|2,0,0]=4 5414 B9R0.33 CCCC(C(=O)O)C(C)N Amb33036414 [0,2,0,0,0,0|1,0,0]=3 5415 B9R0.33 CCCC(C(=O)O)C(C)O Amb26422276 [0,2,0,0,0,0|2,0,0]=4 5416 B9R0.33 CCCC(C(=O)O)N(C)C Amb33534626 [0,2,0,0,0,0|1,0,0]=3 5417 B9R0.33 CCCC(C(=O)O)S(C)=O Amb27255158 [0,2,0,0,0,0|2,0,0]=4 5418 B9R0.33 CCCC(C(C)=O)C(N)=O Amb24744722 [0,2,0,0,0,0|2,0,0]=4 5419 B9R0.33 CCCC(C(C)=O)N(C)C Amb27823561 [0,2,0,0,0,0|2,0,0]=4 5420 B9R0.33 CCCC(C(N)=O)C(N)=O Amb24380863 [0,2,0,0,0,0|2,0,0]=4 5421 B9R0.33 CCCC(C(N)=O)N(C)C Amb24116638 [0,2,0,0,0,0|2,0,0]=4 5422 B9R0.33 CCC[C@H](C(=O)O)N(C)C Amb32660270 [0,2,0,0,0,0|1,0,0]=3 5423 B9R0.33 CCC[C@H](C(=O)O)[C@H](C)O Amb27221692 [0,2,0,0,0,0|2,0,0]=4 5424 B9R0.33 CN(C)C(CCO)C(=O)O Amb24116966 [0,2,0,0,0,0|2,0,0]=4 5425 B9R0.33 COCC(C(=O)O)C(=O)O Amb27866758 [0,2,0,0,0,0|1,1,0]=4 5426 B9R0.33 COCC(C(=O)O)C(C)C Amb26443509 [0,2,0,0,0,0|1,1,0]=4 5427 B9R0.33 COCC(C(=O)O)N(C)O Amb27976733 [0,2,0,0,0,0|0,1,0]=3 5428 B9R0.33 CSCC(C(=O)O)C(C)C Amb27639484 [0,2,0,0,0,0|1,0,0]=3 5429 B9R0.33 CSC[C@@H](C(=O)O)N(C)C Amb27974193 [0,2,0,0,0,0|0,0,0]=2 5430 B9R0.39 C=C(C)CC(C#N)C(=O)O Amb35741470 [0,2,0,0,0,0|1,0,1]=4 5431 B9R0.39 C=C(C)CC(OC)C(=O)O Amb26386702 [0,2,0,0,0,0|2,0,0]=4 5432 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [0,2,0,0,0,0|2,0,0]=4 5433 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [0,2,0,0,0,0|2,0,0]=4 5434 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [0,2,0,0,0,0|2,0,0]=4 5435 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [0,2,0,0,0,0|2,0,0]=4 5436 B9R0.39 CC(C)CC(C#N)C(=O)O Amb23558965 [0,2,0,0,0,0|1,0,1]=4 5437 B9R0.39 CC(C)CC(CN)C(=O)O Amb19021764 [0,2,0,0,0,0|1,0,0]=3 5438 B9R0.39 CC(C)CC(CN)C(=O)O Amb28555451 [0,2,0,0,0,0|1,0,0]=3 5439 B9R0.39 CC(C)CC(CO)C(=O)O Amb18124780 [0,2,0,0,0,0|2,0,0]=4 5440 B9R0.39 CC(C)CC(N=O)C(=O)O Amb27461396 [0,2,0,0,0,0|1,0,1]=4 5441 B9R0.39 CC(C)CC(NCl)C(=O)O Amb27401848 [0,2,0,0,0,0|1,0,0]=3 5442 B9R0.39 CC(C)CC(ON)C(=O)O Amb18644321 [0,2,0,0,0,0|1,0,0]=3 5443 B9R0.39 CC(C)CC(ON)C(=O)O Amb33484371 [0,2,0,0,0,0|1,0,0]=3 5444 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756732 [0,2,0,0,0,0|1,0,0]=3 5445 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756740 [0,2,0,0,0,0|1,0,0]=3 5446 B9R0.39 CC(C)C[C@@H](NN)C(=O)O Amb27424998 [0,2,0,0,0,0|1,0,0]=3 5447 B9R0.39 CC(C)C[C@@H](ON)C(=O)O Amb27975779 [0,2,0,0,0,0|1,0,0]=3 5448 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb26390781 [0,2,0,0,0,0|1,0,0]=3 5449 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb32620226 [0,2,0,0,0,0|1,0,0]=3 5450 B9R0.39 CC(C)C[C@H](NN)C(=O)O Amb27488207 [0,2,0,0,0,0|1,0,0]=3 5451 B9R0.39 CC(C)C[C@H](NN)C(N)=O Amb27604368 [0,2,0,0,0,0|2,0,0]=4 5452 B9R0.39 CC(C)NC(CN)C(=O)O Amb28291039 [0,2,0,0,0,0|2,0,0]=4 5453 B9R0.39 CC(C)S[C@@H](CN)C(=O)O Amb27444140 [0,2,0,0,0,0|2,0,0]=4 5454 B9R0.39 CC(Cl)CC(CN)C(=O)O Amb28396430 [0,2,0,0,0,0|1,0,0]=3 5455 B9R0.39 CC(O)CC(C#N)C(=O)O Amb35741473 [0,2,0,0,0,0|1,0,1]=4 5456 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,2,0,0,0,0|2,0,0]=4 5457 B9R0.39 CCC(CC(C)C)C(=O)O Amb19014184 [0,2,0,0,0,0|2,0,0]=4 5458 B9R0.39 CCC(CC(C)O)C(=O)O Amb27254121 [0,2,0,0,0,0|2,0,0]=4 5459 B9R0.39 CC[C@@H](CC(C)C)C(=O)O Amb28397993 [0,2,0,0,0,0|2,0,0]=4 5460 B9R0.39 CN(C)CC(C#N)C(=O)O Amb26639275 [0,2,0,0,0,0|1,0,1]=4 5461 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,2,0,0,0,0|2,0,0]=4 5462 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,2,0,0,0,0|2,0,0]=4 5463 B9R0.39 CNC(CC(C)C)C(=O)O Amb22274694 [0,2,0,0,0,0|1,0,0]=3 5464 B9R0.39 CNC(CC(C)C)C(=O)O Amb9283589 [0,2,0,0,0,0|1,0,0]=3 5465 B9R0.39 CNC(CC(C)C)C(N)=O Amb19006600 [0,2,0,0,0,0|2,0,0]=4 5466 B9R0.39 CNC(CC(C)C)C(N)=O Amb32753443 [0,2,0,0,0,0|2,0,0]=4 5467 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [0,2,0,0,0,0|2,0,0]=4 5468 B9R0.39 CNC(CN(C)C)C(=O)O Amb28388875 [0,2,0,0,0,0|1,0,0]=3 5469 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,2,0,0,0,0|2,0,0]=4 5470 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb16183858 [0,2,0,0,0,0|1,0,0]=3 5471 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb2779901 [0,2,0,0,0,0|1,0,0]=3 5472 B9R0.39 CN[C@@H](CC(C)C)C(N)=O Amb24550819 [0,2,0,0,0,0|2,0,0]=4 5473 B9R0.39 CN[C@@H](CC(C)C)C(N)=O Amb32679561 [0,2,0,0,0,0|2,0,0]=4 5474 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,2,0,0,0,0|2,0,0]=4 5475 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb10842218 [0,2,0,0,0,0|1,0,0]=3 5476 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb22745995 [0,2,0,0,0,0|1,0,0]=3 5477 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [0,2,0,0,0,0|2,0,0]=4 5478 B9R0.39 COC(CC(C)C)C(=O)O Amb26656466 [0,2,0,0,0,0|2,0,0]=4 5479 B9R0.39 COC(CN(C)C)C(=O)O Amb27196900 [0,2,0,0,0,0|2,0,0]=4 5480 B9R0.39 CO[C@@H](CC(C)C)C(=O)O Amb28126876 [0,2,0,0,0,0|2,0,0]=4 5481 B9R0.39 CSC(CC(C)C)C(=O)O Amb27658945 [0,2,0,0,0,0|2,0,0]=4 5482 B9R0.39 C\C(Cl)=C/C(ON)C(=O)O Amb27252200 [0,2,0,0,0,0|1,0,1]=4 5483 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [0,2,0,0,0,0|2,0,0]=4 5484 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [0,2,0,0,0,0|2,0,0]=4 5485 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,2,0,0,0,0|2,0,0]=4 5486 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,2,0,0,0,0|2,0,0]=4 5487 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,2,0,0,0,0|2,0,0]=4 5488 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,2,0,0,0,0|2,0,0]=4 5489 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,2,0,0,0,0|2,0,0]=4 5490 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,2,0,0,0,0|2,0,0]=4 5491 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,2,0,0,0,0|2,0,0]=4 5492 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,2,0,0,0,0|2,0,0]=4 5493 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,2,0,0,0,0|2,0,0]=4 5494 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,2,0,0,0,0|2,0,0]=4 5495 B9R0.57 CC(=O)C(N)CC(C)(C)C Amb27959417 [0,2,0,0,0,0|2,0,0]=4 5496 B9R0.57 CC(C)(C)CC(N)C(=O)O Amb7172575 [0,2,0,0,0,0|1,0,0]=3 5497 B9R0.57 CC(C)(C)CC(N)C(=O)O Amb8385710 [0,2,0,0,0,0|1,0,0]=3 5498 B9R0.57 CC(C)(C)CC(N)C(N)=O Amb19000296 [0,2,0,0,0,0|2,0,0]=4 5499 B9R0.57 CC(C)(C)CC(O)C(=O)O Amb18302187 [0,2,0,0,0,0|2,0,0]=4 5500 B9R0.57 CC(C)(C)C[C@@H](Br)C(=O)O Amb28049945 [0,2,0,0,0,0|2,0,0]=4 5501 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O Amb16184025 [0,2,0,0,0,0|1,0,0]=3 5502 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O Amb6295897 [0,2,0,0,0,0|1,0,0]=3 5503 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Amb28555620 [0,2,0,0,0,0|1,0,0]=3 5504 B9R0.57 CC(C)(F)CC(N)C(=O)O Amb26496047 [0,2,0,0,0,0|1,0,0]=3 5505 B9R0.57 CC(C)(F)CC(N)C(N)=O Amb33036949 [0,2,0,0,0,0|2,0,0]=4 5506 B9R0.57 CC(C)(F)CC(O)C(=O)O Amb33272231 [0,2,0,0,0,0|2,0,0]=4 5507 B9R0.57 CC(C)(F)C[C@@H](N)C(=O)O Amb24055873 [0,2,0,0,0,0|1,0,0]=3 5508 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O Amb26959500 [0,2,0,0,0,0|1,0,0]=3 5509 B9R0.57 CC(C)(O)CC(N)C(=O)O Amb18644326 [0,2,0,0,0,0|1,0,0]=3 5510 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] Amb33109899 [0,2,0,0,0,0|1,0,1]=4 5511 B9R0.57 CC(C)(O)CC(N)C(N)=O Amb33065412 [0,2,0,0,0,0|2,0,0]=4 5512 B9R0.57 CC(C)(O)CC(O)C(=O)O Amb27953570 [0,2,0,0,0,0|2,0,0]=4 5513 B9R0.57 CC(C)(O)C[C@@H](N)C(=O)O Amb24479570 [0,2,0,0,0,0|1,0,0]=3 5514 B9R0.57 CC(C)(O)C[C@@H](O)C(=O)O Amb27254266 [0,2,0,0,0,0|2,0,0]=4 5515 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O Amb25992355 [0,2,0,0,0,0|1,0,0]=3 5516 B9R0.57 CC(C)(S)CC(N)C(=O)O Amb27984144 [0,2,0,0,0,0|1,0,0]=3 5517 B9R0.57 CC(CC(C)(C)C)C(=O)O Amb18124693 [0,2,0,0,0,0|2,0,0]=4 5518 B9R0.57 CC(CC(C)(C)F)C(=O)O Amb25971880 [0,2,0,0,0,0|2,0,0]=4 5519 B9R0.57 CC(CC(C)(C)N)C(=O)O Amb22364426 [0,2,0,0,0,0|2,0,0]=4 5520 B9R0.57 CC(CC(C)(C)N)C(=O)O Amb28555536 [0,2,0,0,0,0|2,0,0]=4 5521 B9R0.57 CC(CC(C)(F)F)C(=O)O Amb33482229 [0,2,0,0,0,0|2,0,0]=4 5522 B9R0.57 CC(CP(C)(C)=O)C(=O)O Amb28050894 [0,2,0,0,0,0|2,0,0]=4 5523 B9R0.57 CC(CS(C)(=O)=O)C(=O)O Amb18971622 [0,2,0,0,0,0|1,0,1]=4 5524 B9R0.57 CC(C[Si](C)(C)C)C(=O)O Amb28383938 [0,2,0,0,0,0|2,0,0]=4 5525 B9R0.57 CC(F)(F)CC(N)C(=O)O Amb26866987 [0,2,0,0,0,0|1,0,0]=3 5526 B9R0.57 CC(F)(F)CC(N)C(=O)O Amb33483896 [0,2,0,0,0,0|1,0,0]=3 5527 B9R0.57 CC(F)(F)CC(N)C(N)=O Amb33036598 [0,2,0,0,0,0|2,0,0]=4 5528 B9R0.57 CC(F)(F)CC(O)C(=O)O Amb26361859 [0,2,0,0,0,0|2,0,0]=4 5529 B9R0.57 CC(F)(F)C[C@@H](N)C(=O)O Amb33309023 [0,2,0,0,0,0|1,0,0]=3 5530 B9R0.57 CC(F)(F)C[C@H](N)C(=O)O Amb26573683 [0,2,0,0,0,0|1,0,0]=3 5531 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [0,2,0,0,0,0|1,0,0]=3 5532 B9R0.57 CS(=O)(=O)CC(Cl)C(=O)O Amb27257814 [0,2,0,0,0,0|1,0,1]=4 5533 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb27983621 [0,2,0,0,0,0|0,0,1]=3 5534 B9R0.57 CS(=O)(=O)CC(N)C(=O)O Amb32753509 [0,2,0,0,0,0|0,0,1]=3 5535 B9R0.57 CS(=O)(=O)CC(N)C(N)=O Amb27961405 [0,2,0,0,0,0|1,0,1]=4 5536 B9R0.57 CS(=O)(=O)CC(O)C(=O)O Amb24398186 [0,2,0,0,0,0|1,0,1]=4 5537 B9R0.57 CS(=O)(=O)C[C@@H](N)C(=O)O Amb27831327 [0,2,0,0,0,0|0,0,1]=3 5538 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb27231797 [0,2,0,0,0,0|0,0,1]=3 5539 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O Amb32683294 [0,2,0,0,0,0|0,0,1]=3 5540 B9R0.57 C[C@@H](CC(C)(C)C)C(=O)O Amb10844016 [0,2,0,0,0,0|2,0,0]=4 5541 B9R0.57 C[C@@H](CC(C)(F)F)C(=O)O Amb33744369 [0,2,0,0,0,0|2,0,0]=4 5542 B9R0.57 C[C@H](CC(C)(C)C)C(=O)O Amb10844015 [0,2,0,0,0,0|2,0,0]=4 5543 B9R0.57 C[C@H](CC(C)(F)F)C(=O)O Amb33743241 [0,2,0,0,0,0|2,0,0]=4 5544 B9R0.57 C[Si](C)(C)CC(N)C(=O)O Amb26361043 [0,2,0,0,0,0|1,0,0]=3 5545 B9R0.57 C[Si](C)(C)CC(N)C(N)=O Amb33308618 [0,2,0,0,0,0|2,0,0]=4 5546 B9R0.57 C[Si](C)(C)C[C@@H](N)C(=O)O Amb27658975 [0,2,0,0,0,0|1,0,0]=3 5547 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O Amb24482244 [0,2,0,0,0,0|1,0,0]=3 5548 B9R0.57 C[Si](C)(O)C[C@H](N)C(=O)O Amb27408998 [0,2,0,0,0,0|1,0,0]=3 5549 B9R0.57 NC(CC(F)(F)Cl)C(=O)O Amb27477823 [0,2,0,0,0,0|2,0,0]=4 5550 B9R0.57 NC(CC(F)(F)F)C(=O)O Amb10603542 [0,2,0,0,0,0|2,0,0]=4 5551 B9R0.57 NC(CC(F)(F)F)C(=O)O Amb2684546 [0,2,0,0,0,0|2,0,0]=4 5552 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [0,2,0,0,0,0|2,0,0]=4 5553 B9R0.57 NC(CP(O)(O)=S)C(=O)O Amb27232821 [0,2,0,0,0,0|2,0,0]=4 5554 B9R0.57 NC(CS(=O)(=O)Cl)C(=O)O Amb28367339 [0,2,0,0,0,0|1,0,1]=4 5555 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [0,2,0,0,0,0|1,0,1]=4 5556 B9R0.57 NC(CS(=O)(=O)S)C(=O)O Amb27982339 [0,2,0,0,0,0|1,0,1]=4 5557 B9R0.57 N[C@@H](CC(Cl)(Cl)Cl)C(=O)O Amb25967143 [0,2,0,0,0,0|2,0,0]=4 5558 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O Amb19889287 [0,2,0,0,0,0|2,0,0]=4 5559 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [0,2,0,0,0,0|2,0,0]=4 5560 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [0,2,0,0,0,0|1,0,1]=4 5561 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [0,2,0,0,0,0|1,0,1]=4 5562 B9R0.57 N[C@@H](CS(N)(=O)=O)C(=O)O Amb26342340 [0,2,0,0,0,0|1,0,1]=4 5563 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O Amb19889286 [0,2,0,0,0,0|2,0,0]=4 5564 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [0,2,0,0,0,0|2,0,0]=4 5565 B7R1.1 C#CC1CSCN1 Amb33169016 [1,0,0,1,0,0|1,0,1]=4 5566 B7R1.1 C=CC1CCCN1 Amb23536605 [1,0,0,1,0,0|2,0,0]=4 5567 B7R1.1 C=CC1CCCN1 Amb24082686 [1,0,0,1,0,0|2,0,0]=4 5568 B7R1.1 C=CC1CCSC1 Amb28065280 [1,0,0,1,0,0|2,0,0]=4 5569 B7R1.1 N#C[C@@H]1CSCN1 Amb2686612 [1,0,0,1,0,0|1,0,1]=4 5570 B7R1.1 N#C[C@@H]1CSCN1 Amb27966624 [1,0,0,1,0,0|1,0,1]=4 5571 B7R1.1 NC[C@@H]1CSCN1 Amb28342007 [1,0,0,1,0,0|1,0,1]=4 5572 B7R1.1 O=CC1=CCSC1 Amb423472 [1,0,0,1,0,0|1,0,1]=4 5573 B7R1.1 O=CC1CCCC1 Amb31292855 [1,0,0,1,0,0|2,0,0]=4 5574 B7R1.1 O=CC1CCCC1 Amb4605847 [1,0,0,1,0,0|2,0,0]=4 5575 B7R1.1 O=CC1CCCC1 Amb6297186 [1,0,0,1,0,0|2,0,0]=4 5576 B7R1.1 O=CC1CCCO1 Amb3939388 [1,0,0,1,0,0|2,0,0]=4 5577 B7R1.1 O=CC1CCCS1 Amb27214645 [1,0,0,1,0,0|2,0,0]=4 5578 B7R1.1 O=CC1CCNC1 Amb18197564 [1,0,0,1,0,0|2,0,0]=4 5579 B7R1.1 O=CC1CCOC1 Amb6608994 [1,0,0,1,0,0|1,1,0]=4 5580 B7R1.1 O=CC1CCSC1 Amb18199140 [1,0,0,1,0,0|1,0,0]=3 5581 B7R1.1 O=C[C@@H]1CCCN1 Amb27261498 [1,0,0,1,0,0|1,0,0]=3 5582 B7R1.1 O=C[C@@H]1CCCS1 Amb28130403 [1,0,0,1,0,0|2,0,0]=4 5583 B7R1.1 O=C[C@@H]1CCOC1 Amb27801459 [1,0,0,1,0,0|1,1,0]=4 5584 B7R1.1 O=NC1CCCN1 Amb27488681 [1,0,0,1,0,0|2,0,0]=4 5585 B7R1.1 OCC1CCCN1 Amb2237182 [1,0,0,1,0,0|1,0,1]=4 5586 B7R1.1 OCC1CCSC1 Amb18203349 [1,0,0,1,0,0|1,0,1]=4 5587 B7R1.1 OC[C@@H]1CCCN1 Amb22748614 [1,0,0,1,0,0|1,0,1]=4 5588 B7R1.1 OC[C@@H]1CCCN1 Amb3938965 [1,0,0,1,0,0|1,0,1]=4 5589 B7R1.1 OC[C@H]1CCCN1 Amb2235512 [1,0,0,1,0,0|1,0,1]=4 5590 B7R1.1 OC[C@H]1CCCN1 Amb30874072 [1,0,0,1,0,0|1,0,1]=4 5591 B7R1.2 CC1CC(N)CO1 Amb28283957 [1,0,0,1,0,0|1,0,1]=4 5592 B7R1.2 CC1CC(N)CO1 Amb28827641 [1,0,0,1,0,0|1,0,1]=4 5593 B7R1.3 NC1C=CCCC1 Amb20668839 [1,0,0,1,0,0|2,0,0]=4 5594 B7R1.3 NC1C=CCCC1 Amb23385297 [1,0,0,1,0,0|2,0,0]=4 5595 B7R1.3 NC1CCCOC1 Amb1091859 [1,0,0,1,0,0|1,0,1]=4 5596 B7R1.3 NC1CCCOC1 Amb19889218 [1,0,0,1,0,0|1,0,1]=4 5597 B7R1.3 NC1CCCSC1 Amb13953228 [1,0,0,1,0,0|1,0,1]=4 5598 B7R1.3 NC1CCCSC1 Amb32660970 [1,0,0,1,0,0|1,0,1]=4 5599 B7R1.3 NC1COCOC1 Amb28384919 [1,0,0,1,0,0|0,1,1]=4 5600 B7R1.3 NC1COCOC1 Amb32667993 [1,0,0,1,0,0|0,1,1]=4 5601 B7R1.3 NC1CSCSC1 Amb19148038 [1,0,0,1,0,0|0,1,1]=4 5602 B7R1.3 N[C@@H]1C=CCCC1 Amb24640515 [1,0,0,1,0,0|2,0,0]=4 5603 B7R1.3 N[C@@H]1CCCOC1 Amb19516292 [1,0,0,1,0,0|1,0,1]=4 5604 B7R1.3 N[C@@H]1CCCOC1 Amb20241267 [1,0,0,1,0,0|1,0,1]=4 5605 B7R1.3 N[C@H]1CCCOC1 Amb19516313 [1,0,0,1,0,0|1,0,1]=4 5606 B7R1.3 N[C@H]1CCCOC1 Amb20241266 [1,0,0,1,0,0|1,0,1]=4 5607 B7R1.3 N[C@H]1CCCOC1 Amb34916114 [1,0,0,1,0,0|1,0,1]=4 5608 B7R1.3 OC1C=CCSC1 Amb25832664 [1,0,0,1,0,0|2,0,0]=4 5609 B7R1.4 C=C1COCC1N Amb31252146 [1,0,0,1,0,0|1,1,0]=4 5610 B7R1.4 C=C1COCC1N Amb32795022 [1,0,0,1,0,0|1,1,0]=4 5611 B7R1.4 CC1CCCC1=O Amb8514830 [1,0,0,1,0,0|2,0,0]=4 5612 B7R1.4 CC1COCC1=O Amb24333426 [1,0,0,1,0,0|1,1,0]=4 5613 B7R1.4 CC1CSCC1=O Amb21964769 [1,0,0,1,0,0|1,0,0]=3 5614 B7R1.4 CC1CSCC1N Amb18202602 [1,0,0,1,0,0|1,0,1]=4 5615 B7R1.4 C[C@@H]1CSC[C@@H]1O Amb27422447 [1,0,0,1,0,0|1,0,1]=4 5616 B7R1.4 C[C@H]1CCCC1=O Amb27640064 [1,0,0,1,0,0|2,0,0]=4 5617 B7R1.4 C[C@H]1CSC[C@H]1N Amb27961505 [1,0,0,1,0,0|1,0,1]=4 5618 B7R1.4 C[C@H]1CSC[C@H]1O Amb27448475 [1,0,0,1,0,0|1,0,1]=4 5619 B7R1.4 NC1CCCC1=O Amb17939050 [1,0,0,1,0,0|1,0,0]=3 5620 B7R1.4 NC1CCCC1=O Amb28994832 [1,0,0,1,0,0|1,0,0]=3 5621 B7R1.4 NC1CCCC1O Amb13951342 [1,0,0,1,0,0|1,0,1]=4 5622 B7R1.4 NC1CCCC1O Amb8385206 [1,0,0,1,0,0|1,0,1]=4 5623 B7R1.4 NC1CCNC1=O Amb21955321 [1,0,0,1,0,0|2,0,0]=4 5624 B7R1.4 NC1CCNC1=O Amb6739903 [1,0,0,1,0,0|2,0,0]=4 5625 B7R1.4 NC1CCOC1=O Amb17614991 [1,0,0,1,0,0|2,0,0]=4 5626 B7R1.4 NC1CCOC1=O Amb6609049 [1,0,0,1,0,0|2,0,0]=4 5627 B7R1.4 NC1CCOC1=O Amb9761351 [1,0,0,1,0,0|2,0,0]=4 5628 B7R1.4 NC1CCSC1=O Amb1151877 [1,0,0,1,0,0|2,0,0]=4 5629 B7R1.4 NC1CCSC1=O Amb2720274 [1,0,0,1,0,0|2,0,0]=4 5630 B7R1.4 NC1CNCC1O Amb22235661 [1,0,0,1,0,0|1,0,1]=4 5631 B7R1.4 NC1COCC1=O Amb18202885 [1,0,0,1,0,0|0,1,0]=3 5632 B7R1.4 NC1COCC1=O Amb33328736 [1,0,0,1,0,0|0,1,0]=3 5633 B7R1.4 NC1COCC1O Amb18277417 [1,0,0,1,0,0|0,1,1]=4 5634 B7R1.4 NC1COCC1O Amb19515137 [1,0,0,1,0,0|0,1,1]=4 5635 B7R1.4 NC1CONC1=O Amb1865548 [1,0,0,1,0,0|1,1,0]=4 5636 B7R1.4 NC1CSCC1=O Amb18202693 [1,0,0,1,0,0|0,0,0]=2 5637 B7R1.4 NC1CSCC1F Amb28280927 [1,0,0,1,0,0|1,0,1]=4 5638 B7R1.4 NC1CSCC1O Amb2693597 [1,0,0,1,0,0|0,0,1]=3 5639 B7R1.4 NC1CSCC1O Amb5634210 [1,0,0,1,0,0|0,0,1]=3 5640 B7R1.4 NC1CSCC1O Amb8565080 [1,0,0,1,0,0|0,0,1]=3 5641 B7R1.4 NC1CSNC1=O Amb27435893 [1,0,0,1,0,0|1,0,0]=3 5642 B7R1.4 NN1CCCC1=O Amb8496496 [1,0,0,1,0,0|2,0,0]=4 5643 B7R1.4 NN1CCCC1=O Amb9174227 [1,0,0,1,0,0|2,0,0]=4 5644 B7R1.4 N[C@@H]1CCC[C@@H]1O Amb1993810 [1,0,0,1,0,0|1,0,1]=4 5645 B7R1.4 N[C@@H]1CCC[C@@H]1O Amb1993921 [1,0,0,1,0,0|1,0,1]=4 5646 B7R1.4 N[C@@H]1CCC[C@H]1O Amb1993811 [1,0,0,1,0,0|1,0,1]=4 5647 B7R1.4 N[C@@H]1CCC[C@H]1O Amb1993922 [1,0,0,1,0,0|1,0,1]=4 5648 B7R1.4 N[C@@H]1CCC[C@H]1O Amb30451169 [1,0,0,1,0,0|1,0,1]=4 5649 B7R1.4 N[C@@H]1CCC[C@H]1O Amb33714404 [1,0,0,1,0,0|1,0,1]=4 5650 B7R1.4 N[C@@H]1CCNC1=O Amb19515791 [1,0,0,1,0,0|2,0,0]=4 5651 B7R1.4 N[C@@H]1CCNC1=O Amb22745816 [1,0,0,1,0,0|2,0,0]=4 5652 B7R1.4 N[C@@H]1CCOC1=O Amb10601656 [1,0,0,1,0,0|2,0,0]=4 5653 B7R1.4 N[C@@H]1CCOC1=O Amb22745863 [1,0,0,1,0,0|2,0,0]=4 5654 B7R1.4 N[C@@H]1CCOC1=O Amb3941712 [1,0,0,1,0,0|2,0,0]=4 5655 B7R1.4 N[C@@H]1CNC[C@@H]1O Amb25911176 [1,0,0,1,0,0|1,0,1]=4 5656 B7R1.4 N[C@@H]1COC[C@@H]1O Amb22748842 [1,0,0,1,0,0|0,1,1]=4 5657 B7R1.4 N[C@@H]1COC[C@@H]1O Amb22754535 [1,0,0,1,0,0|0,1,1]=4 5658 B7R1.4 N[C@@H]1COC[C@H]1O Amb17933202 [1,0,0,1,0,0|0,1,1]=4 5659 B7R1.4 N[C@@H]1COC[C@H]1O Amb22746728 [1,0,0,1,0,0|0,1,1]=4 5660 B7R1.4 N[C@@H]1COC[C@H]1O Amb24107553 [1,0,0,1,0,0|0,1,1]=4 5661 B7R1.4 N[C@@H]1COC[C@H]1O Amb33715897 [1,0,0,1,0,0|0,1,1]=4 5662 B7R1.4 N[C@@H]1CONC1=O Amb533888 [1,0,0,1,0,0|1,1,0]=4 5663 B7R1.4 N[C@@H]1CSC[C@@H]1O Amb23482790 [1,0,0,1,0,0|0,0,1]=3 5664 B7R1.4 N[C@@H]1CSC[C@@H]1O Amb532933 [1,0,0,1,0,0|0,0,1]=3 5665 B7R1.4 N[C@@H]1CSC[C@H]1O Amb1099355 [1,0,0,1,0,0|0,0,1]=3 5666 B7R1.4 N[C@H]1CCC[C@@H]1O Amb10604100 [1,0,0,1,0,0|1,0,1]=4 5667 B7R1.4 N[C@H]1CCC[C@@H]1O Amb3941725 [1,0,0,1,0,0|1,0,1]=4 5668 B7R1.4 N[C@H]1CCC[C@H]1O Amb10603107 [1,0,0,1,0,0|1,0,1]=4 5669 B7R1.4 N[C@H]1CCC[C@H]1O Amb28133706 [1,0,0,1,0,0|1,0,1]=4 5670 B7R1.4 N[C@H]1CCNC1=O Amb19887769 [1,0,0,1,0,0|2,0,0]=4 5671 B7R1.4 N[C@H]1CCNC1=O Amb23385346 [1,0,0,1,0,0|2,0,0]=4 5672 B7R1.4 N[C@H]1CCOC1=O Amb10982617 [1,0,0,1,0,0|2,0,0]=4 5673 B7R1.4 N[C@H]1CCOC1=O Amb541960 [1,0,0,1,0,0|2,0,0]=4 5674 B7R1.4 N[C@H]1CCOC1=O Amb5718691 [1,0,0,1,0,0|2,0,0]=4 5675 B7R1.4 N[C@H]1CCSC1=O Amb22362833 [1,0,0,1,0,0|2,0,0]=4 5676 B7R1.4 N[C@H]1CCSC1=O Amb33758042 [1,0,0,1,0,0|2,0,0]=4 5677 B7R1.4 N[C@H]1CCSC1=O Amb8628572 [1,0,0,1,0,0|2,0,0]=4 5678 B7R1.4 N[C@H]1CNC[C@H]1O Amb27621416 [1,0,0,1,0,0|1,0,1]=4 5679 B7R1.4 N[C@H]1CNOC1=O Amb27778477 [1,0,0,1,0,0|2,0,0]=4 5680 B7R1.4 N[C@H]1COC[C@@H]1O Amb10608341 [1,0,0,1,0,0|0,1,1]=4 5681 B7R1.4 N[C@H]1COC[C@@H]1O Amb22224915 [1,0,0,1,0,0|0,1,1]=4 5682 B7R1.4 N[C@H]1COC[C@H]1O Amb25259808 [1,0,0,1,0,0|0,1,1]=4 5683 B7R1.4 N[C@H]1COC[C@H]1O Amb33774994 [1,0,0,1,0,0|0,1,1]=4 5684 B7R1.4 N[C@H]1CONC1=O Amb2719694 [1,0,0,1,0,0|1,1,0]=4 5685 B7R1.4 O=C1CCCC1Br Amb16234114 [1,0,0,1,0,0|2,0,0]=4 5686 B7R1.4 O=C1CCCC1Cl Amb3939970 [1,0,0,1,0,0|2,0,0]=4 5687 B7R1.4 O=C1CCCC1F Amb28050533 [1,0,0,1,0,0|2,0,0]=4 5688 B7R1.4 O=C1CCCC1I Amb25756212 [1,0,0,1,0,0|2,0,0]=4 5689 B7R1.4 O=C1CCCC1O Amb17593081 [1,0,0,1,0,0|2,0,0]=4 5690 B7R1.4 O=C1CCCC1S Amb27838260 [1,0,0,1,0,0|2,0,0]=4 5691 B7R1.4 O=C1CCC[C@@H]1F Amb35788466 [1,0,0,1,0,0|2,0,0]=4 5692 B7R1.4 O=C1CCC[C@H]1F Amb25834416 [1,0,0,1,0,0|2,0,0]=4 5693 B7R1.4 OC1CSCC1O Amb17593233 [1,0,0,1,0,0|1,0,1]=4 5694 B7R1.4 O[C@@H]1CSC[C@@H]1O Amb28455182 [1,0,0,1,0,0|1,0,1]=4 5695 B7R1.4 O[C@@H]1CSC[C@@H]1S Amb27422639 [1,0,0,1,0,0|1,0,1]=4 5696 B7R1.4 O[C@@H]1CSC[C@H]1S Amb27981741 [1,0,0,1,0,0|1,0,1]=4 5697 B7R1.4 [NH3+][C@@H]1CSC[C@H]1O Amb4269724 [1,0,0,1,0,0|0,0,2]=4 5698 B7R1.6 CSCC1CCN1 Amb33272485 [1,0,0,1,0,0|1,0,1]=4 5699 B7R1.9 CC[C@@H]1C[C@@H]1C=O Amb28142393 [1,0,0,1,0,0|2,0,0]=4 5700 B7R1.9 CC[C@@H]1O[C@@H]1C=O Amb27640580 [1,0,0,1,0,0|2,0,0]=4 5701 B7R1.9 COC1CC1C=O Amb35720824 [1,0,0,1,0,0|1,1,0]=4 5702 B7R1.10 CC1CC(C=O)C1 Amb27827798 [1,0,0,1,0,0|2,0,0]=4 5703 B7R1.10 CC1CC(CO)N1 Amb33802775 [1,0,0,1,0,0|1,0,1]=4 5704 B7R1.15 CC1CN(N)C1=O Amb24479155 [1,0,0,1,0,0|2,0,0]=4 5705 B7R1.15 CN1CC(N)C1=O Amb25314708 [1,0,0,1,0,0|1,0,0]=3 5706 B7R1.15 CN1C[C@@H](N)C1=O Amb34137166 [1,0,0,1,0,0|1,0,0]=3 5707 B7R1.15 CN1C[C@H](N)C1=O Amb24746774 [1,0,0,1,0,0|1,0,0]=3 5708 B7R1.21 CSCC1(C)CO1 Amb25726618 [1,0,0,1,0,0|1,0,1]=4 5709 B7R1.21 CSCC1(N)CC1 Amb18286979 [1,0,0,1,0,0|1,0,1]=4 5710 B7R1.22 C=CC(N)C1CC1 Amb25296753 [1,0,0,1,0,0|2,0,0]=4 5711 B7R1.22 C=CC(N)C1CC1 Amb33527190 [1,0,0,1,0,0|2,0,0]=4 5712 B7R1.22 C=C[C@H](N)C1CC1 Amb27175395 [1,0,0,1,0,0|2,0,0]=4 5713 B7R1.22 CC(C=O)C1CC1 Amb25376838 [1,0,0,1,0,0|2,0,0]=4 5714 B7R1.22 NC(CO)C1CC1 Amb18282445 [1,0,0,1,0,0|1,0,1]=4 5715 B7R1.22 NC(CO)C1CC1 Amb19374057 [1,0,0,1,0,0|1,0,1]=4 5716 B7R1.22 N[C@@H](CO)C1CC1 Amb24077521 [1,0,0,1,0,0|1,0,1]=4 5717 B7R1.22 N[C@@H](CO)C1CC1 Amb25798421 [1,0,0,1,0,0|1,0,1]=4 5718 B7R1.22 N[C@H](CO)C1CC1 Amb24077489 [1,0,0,1,0,0|1,0,1]=4 5719 B7R1.22 N[C@H](CO)C1CC1 Amb24568257 [1,0,0,1,0,0|1,0,1]=4 5720 B7R1.22 O=CC(F)C1CC1 Amb27777027 [1,0,0,1,0,0|2,0,0]=4 5721 B7R1.22 O=CC(O)C1CC1 Amb27593028 [1,0,0,1,0,0|2,0,0]=4 5722 B7R1.25 CC1(C=O)CCC1 Amb20667762 [1,0,0,1,0,0|2,0,0]=4 5723 B7R1.25 CC1(C=O)COC1 Amb17933843 [1,0,0,1,0,0|1,1,0]=4 5724 B7R1.25 CC1(C=O)CSC1 Amb33330520 [1,0,0,1,0,0|1,0,0]=3 5725 B7R1.25 CC1(CO)CSC1 Amb21960455 [1,0,0,1,0,0|1,0,1]=4 5726 B7R1.25 N#CC1(N)CSC1 Amb27963814 [1,0,0,1,0,0|1,0,1]=4 5727 B7R1.25 NC1(CO)CCC1 Amb22737530 [1,0,0,1,0,0|1,0,1]=4 5728 B7R1.25 NC1(CO)CCC1 Amb8631828 [1,0,0,1,0,0|1,0,1]=4 5729 B7R1.25 NC1(CO)COC1 Amb22386871 [1,0,0,1,0,0|0,1,1]=4 5730 B7R1.25 NC1(CO)COC1 Amb32757515 [1,0,0,1,0,0|0,1,1]=4 5731 B7R1.25 NC1(CO)CSC1 Amb27439891 [1,0,0,1,0,0|0,0,1]=3 5732 B7R1.25 NCC1(N)CSC1 Amb27202474 [1,0,0,1,0,0|1,0,1]=4 5733 B7R1.27 C=CC1(N)CC1C Amb27965807 [1,0,0,1,0,0|2,0,0]=4 5734 B7R1.27 CC1CC1(C)C=O Amb25076193 [1,0,0,1,0,0|2,0,0]=4 5735 B7R1.27 CC1CC1(N)CO Amb27209727 [1,0,0,1,0,0|1,0,1]=4 5736 B7R1.27 C[C@@H]1C[C@]1(C)C=O Amb27493432 [1,0,0,1,0,0|2,0,0]=4 5737 B7R1.27 C[C@H]1C[C@]1(N)CO Amb27192484 [1,0,0,1,0,0|1,0,1]=4 5738 B7R1.12 CC(=O)C1CC1C Amb25720437 [1,0,0,1,0,0|2,0,0]=4 5739 B7R1.12 CC(=O)C1OC1C Amb25920285 [1,0,0,1,0,0|2,0,0]=4 5740 B7R1.12 CC(=O)[C@@H]1C[C@H]1C Amb27262976 [1,0,0,1,0,0|2,0,0]=4 5741 B7R1.12 CC(=O)[C@@H]1OC1C Amb27165592 [1,0,0,1,0,0|2,0,0]=4 5742 B7R1.12 CC(=O)[C@H]1C[C@@H]1C Amb27493483 [1,0,0,1,0,0|2,0,0]=4 5743 B7R1.12 CC(=O)[C@H]1O[C@H]1C Amb28052513 [1,0,0,1,0,0|2,0,0]=4 5744 B7R1.12 CC(=O)[C@H]1S[C@@H]1C Amb27231676 [1,0,0,1,0,0|2,0,0]=4 5745 B7R1.12 CC1=CC1C(=O)O Amb27157805 [1,0,0,1,0,0|1,0,1]=4 5746 B7R1.12 CC1CC1C(=O)Cl Amb33528387 [1,0,0,1,0,0|2,0,0]=4 5747 B7R1.12 CC1CC1C(=O)O Amb9703126 [1,0,0,1,0,0|1,0,0]=3 5748 B7R1.12 CC1CC1C(N)=O Amb8858378 [1,0,0,1,0,0|2,0,0]=4 5749 B7R1.12 CC1OC1C(=O)O Amb17593088 [1,0,0,1,0,0|1,0,0]=3 5750 B7R1.12 CC1SC1C(=O)O Amb27195238 [1,0,0,1,0,0|1,0,0]=3 5751 B7R1.12 CC1S[C@H]1C(=O)O Amb27399596 [1,0,0,1,0,0|1,0,0]=3 5752 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O Amb25851678 [1,0,0,1,0,0|1,0,0]=3 5753 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl Amb13883573 [1,0,0,1,0,0|2,0,0]=4 5754 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Amb22735875 [1,0,0,1,0,0|1,0,0]=3 5755 B7R1.12 C[C@@H]1C[C@H]1C(N)=O Amb27201134 [1,0,0,1,0,0|2,0,0]=4 5756 B7R1.12 C[C@@H]1N[C@H]1C(=O)O Amb24120621 [1,0,0,1,0,0|0,0,0]=2 5757 B7R1.12 C[C@@H]1O[C@@H]1C(=O)O Amb28347451 [1,0,0,1,0,0|1,0,0]=3 5758 B7R1.12 C[C@@H]1O[C@H]1C(=O)O Amb25738149 [1,0,0,1,0,0|1,0,0]=3 5759 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Amb22735974 [1,0,0,1,0,0|1,0,0]=3 5760 B7R1.12 C[C@H]1C[C@@H]1C(N)=O Amb27213992 [1,0,0,1,0,0|2,0,0]=4 5761 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [1,0,0,1,0,0|1,0,0]=3 5762 B7R1.12 C[C@H]1O[C@@H]1C(=O)O Amb27420167 [1,0,0,1,0,0|1,0,0]=3 5763 B7R1.12 C[C@H]1O[C@H]1C(=O)O Amb27237050 [1,0,0,1,0,0|1,0,0]=3 5764 B7R1.12 NC1CC1C(=O)O Amb7762823 [1,0,0,1,0,0|2,0,0]=4 5765 B7R1.12 N[C@@H]1C[C@@H]1C(=O)O Amb25708637 [1,0,0,1,0,0|2,0,0]=4 5766 B7R1.12 N[C@H]1C[C@H]1C(=O)O Amb27630656 [1,0,0,1,0,0|2,0,0]=4 5767 B7R1.12 O=C(O)C1CC1Br Amb27760446 [1,0,0,1,0,0|2,0,0]=4 5768 B7R1.12 O=C(O)C1CC1Cl Amb28289730 [1,0,0,1,0,0|2,0,0]=4 5769 B7R1.12 O=C(O)C1CC1F Amb22490547 [1,0,0,1,0,0|2,0,0]=4 5770 B7R1.12 O=C(O)C1CC1I Amb26047069 [1,0,0,1,0,0|2,0,0]=4 5771 B7R1.12 O=C(O)C1CC1S Amb20246988 [1,0,0,1,0,0|1,0,0]=3 5772 B7R1.12 O=C(O)[C@@H]1CC1I Amb27616342 [1,0,0,1,0,0|2,0,0]=4 5773 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br Amb27232903 [1,0,0,1,0,0|2,0,0]=4 5774 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb22737600 [1,0,0,1,0,0|2,0,0]=4 5775 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb33716967 [1,0,0,1,0,0|2,0,0]=4 5776 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I Amb22756600 [1,0,0,1,0,0|2,0,0]=4 5777 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br Amb24570997 [1,0,0,1,0,0|2,0,0]=4 5778 B7R1.12 O=C(O)[C@@H]1C[C@H]1Cl Amb28252777 [1,0,0,1,0,0|2,0,0]=4 5779 B7R1.12 O=C(O)[C@@H]1C[C@H]1F Amb22737604 [1,0,0,1,0,0|2,0,0]=4 5780 B7R1.12 O=C(O)[C@@H]1C[C@H]1I Amb26636211 [1,0,0,1,0,0|2,0,0]=4 5781 B7R1.12 O=C(O)[C@H]1C[C@@H]1Cl Amb27655606 [1,0,0,1,0,0|2,0,0]=4 5782 B7R1.12 O=C(O)[C@H]1C[C@@H]1F Amb22736113 [1,0,0,1,0,0|2,0,0]=4 5783 B7R1.12 O=C(O)[C@H]1C[C@@H]1I Amb27968689 [1,0,0,1,0,0|2,0,0]=4 5784 B7R1.12 O=C(O)[C@H]1C[C@H]1F Amb22738580 [1,0,0,1,0,0|2,0,0]=4 5785 B7R1.12 O=C(O)[C@H]1C[C@H]1I Amb22736654 [1,0,0,1,0,0|2,0,0]=4 5786 B7R1.17 CC1(O)CCC1N Amb24117490 [1,0,0,1,0,0|1,0,1]=4 5787 B7R1.17 CC1(O)CCC1N Amb25968766 [1,0,0,1,0,0|1,0,1]=4 5788 B7R1.17 C[C@@]1(O)CC[C@H]1N Amb32664480 [1,0,0,1,0,0|1,0,1]=4 5789 B7R1.17 C[C@@]1(O)CC[C@H]1N Amb32664481 [1,0,0,1,0,0|1,0,1]=4 5790 B7R1.18 C=C(C)C1CCN1 Amb33199611 [1,0,0,1,0,0|2,0,0]=4 5791 B7R1.18 CC(=O)C1CCC1 Amb4037098 [1,0,0,1,0,0|2,0,0]=4 5792 B7R1.18 CC(=O)C1CCN1 Amb28142364 [1,0,0,1,0,0|1,0,0]=3 5793 B7R1.18 CC(=O)C1CSC1 Amb29849423 [1,0,0,1,0,0|2,0,0]=4 5794 B7R1.18 N=C(N)C1CCN1 Amb28410949 [1,0,0,1,0,0|2,0,0]=4 5795 B7R1.18 N=C(N)[C@@H]1CCN1 Amb27790002 [1,0,0,1,0,0|2,0,0]=4 5796 B7R1.18 NC(=O)C1CCC1 Amb33552668 [1,0,0,1,0,0|2,0,0]=4 5797 B7R1.18 NC(=O)C1CCN1 Amb22230240 [1,0,0,1,0,0|1,0,0]=3 5798 B7R1.18 NC(=O)C1CCN1 Amb22491865 [1,0,0,1,0,0|1,0,0]=3 5799 B7R1.18 NC(=O)C1CSC1 Amb27209831 [1,0,0,1,0,0|2,0,0]=4 5800 B7R1.18 NC(=O)[C@@H]1CCN1 Amb27454228 [1,0,0,1,0,0|1,0,0]=3 5801 B7R1.18 O=C(Br)C1CCC1 Amb28291328 [1,0,0,1,0,0|2,0,0]=4 5802 B7R1.18 O=C(Cl)C1CCC1 Amb33528386 [1,0,0,1,0,0|2,0,0]=4 5803 B7R1.18 O=C(O)C1=CCC1 Amb17593068 [1,0,0,1,0,0|1,0,1]=4 5804 B7R1.18 O=C(O)C1CCC1 Amb2686619 [1,0,0,1,0,0|1,0,0]=3 5805 B7R1.18 O=C(O)C1CCN1 Amb2371568 [1,0,0,1,0,0|0,0,0]=2 5806 B7R1.18 O=C(O)C1CCN1 Amb8391098 [1,0,0,1,0,0|0,0,0]=2 5807 B7R1.18 O=C(O)C1CCO1 Amb2383526 [1,0,0,1,0,0|1,0,0]=3 5808 B7R1.18 O=C(O)C1CCS1 Amb27209836 [1,0,0,1,0,0|1,0,0]=3 5809 B7R1.18 O=C(O)C1CNC1 Amb2444164 [1,0,0,1,0,0|2,0,0]=4 5810 B7R1.18 O=C(O)C1CNC1 Amb8384273 [1,0,0,1,0,0|2,0,0]=4 5811 B7R1.18 O=C(O)C1COC1 Amb33542663 [1,0,0,1,0,0|1,1,0]=4 5812 B7R1.18 O=C(O)C1CSC1 Amb20171470 [1,0,0,1,0,0|1,0,0]=3 5813 B7R1.18 O=C(O)[C@@H]1CCN1 Amb2698263 [1,0,0,1,0,0|0,0,0]=2 5814 B7R1.18 O=C(O)[C@@H]1CCN1 Amb8631077 [1,0,0,1,0,0|0,0,0]=2 5815 B7R1.18 O=C(O)[C@@H]1CCO1 Amb33482870 [1,0,0,1,0,0|1,0,0]=3 5816 B7R1.18 O=C(O)[C@H]1CCN1 Amb2698264 [1,0,0,1,0,0|0,0,0]=2 5817 B7R1.18 O=C(O)[C@H]1CCN1 Amb33801322 [1,0,0,1,0,0|0,0,0]=2 5818 B7R1.18 O=C(O)[C@H]1CCO1 Amb33483353 [1,0,0,1,0,0|1,0,0]=3 5819 B7R1.19 C=C(C)C1(N)CC1 Amb33199908 [1,0,0,1,0,0|2,0,0]=4 5820 B7R1.19 CC(=O)C1(Br)CC1 Amb22498709 [1,0,0,1,0,0|2,0,0]=4 5821 B7R1.19 CC(=O)C1(C)CC1 Amb1161819 [1,0,0,1,0,0|2,0,0]=4 5822 B7R1.19 CC(=O)C1(Cl)CC1 Amb20671915 [1,0,0,1,0,0|2,0,0]=4 5823 B7R1.19 CC(=O)C1(F)CC1 Amb22388893 [1,0,0,1,0,0|2,0,0]=4 5824 B7R1.19 CC(=O)C1(N)CC1 Amb25279285 [1,0,0,1,0,0|1,0,0]=3 5825 B7R1.19 CC(=O)C1(N)CC1 Amb28827658 [1,0,0,1,0,0|1,0,0]=3 5826 B7R1.19 CC(O)C1(N)CC1 Amb29849543 [1,0,0,1,0,0|1,0,1]=4 5827 B7R1.19 CC1(C(=O)Cl)CC1 Amb16230812 [1,0,0,1,0,0|2,0,0]=4 5828 B7R1.19 CC1(C(=O)O)CC1 Amb2779924 [1,0,0,1,0,0|1,0,0]=3 5829 B7R1.19 CC1(C(=O)O)CO1 Amb33542864 [1,0,0,1,0,0|1,1,0]=4 5830 B7R1.19 CC1(C(N)=O)CC1 Amb19958822 [1,0,0,1,0,0|2,0,0]=4 5831 B7R1.19 N=C(N)C1(N)CC1 Amb35595082 [1,0,0,1,0,0|2,0,0]=4 5832 B7R1.19 NC(=O)C1(Br)CC1 Amb22234538 [1,0,0,1,0,0|2,0,0]=4 5833 B7R1.19 NC(=O)C1(Cl)CC1 Amb28187965 [1,0,0,1,0,0|2,0,0]=4 5834 B7R1.19 NC(=O)C1(F)CC1 Amb27851813 [1,0,0,1,0,0|2,0,0]=4 5835 B7R1.19 NC(=O)C1(N)CC1 Amb22001522 [1,0,0,1,0,0|1,0,0]=3 5836 B7R1.19 NC(=O)C1(N)CC1 Amb33544868 [1,0,0,1,0,0|1,0,0]=3 5837 B7R1.19 NC(=O)C1(O)CC1 Amb25745829 [1,0,0,1,0,0|2,0,0]=4 5838 B7R1.19 NC1(C(=O)O)CC1 Amb4296883 [1,0,0,1,0,0|0,0,0]=2 5839 B7R1.19 NC1(C(=O)O)CC1 Amb6223185 [1,0,0,1,0,0|0,0,0]=2 5840 B7R1.19 NC1([PH](=O)O)CC1 Amb27655512 [1,0,0,1,0,0|1,0,0]=3 5841 B7R1.19 O=C(O)C1(Br)CC1 Amb33544592 [1,0,0,1,0,0|1,0,0]=3 5842 B7R1.19 O=C(O)C1(Cl)CC1 Amb25841916 [1,0,0,1,0,0|1,0,0]=3 5843 B7R1.19 O=C(O)C1(F)CC1 Amb22001836 [1,0,0,1,0,0|1,0,0]=3 5844 B7R1.19 O=C(O)C1(O)CC1 Amb6609000 [1,0,0,1,0,0|1,0,0]=3 5845 B7R1.7 CSCCC1CO1 Amb25241000 [1,0,0,1,0,0|1,0,1]=4 5846 B7R1.7 CSCC[C@@H]1CO1 Amb33203333 [1,0,0,1,0,0|1,0,1]=4 5847 B7R1.7 CSCC[C@H]1CO1 Amb33203334 [1,0,0,1,0,0|1,0,1]=4 5848 B7R1.14 CC1(O)CCSC1 Amb28050063 [1,0,0,1,0,0|1,0,1]=4 5849 B7R1.20 CC(=O)CC1CC1 Amb10603417 [1,0,0,1,0,0|2,0,0]=4 5850 B7R1.20 NC(=O)CC1CC1 Amb33552967 [1,0,0,1,0,0|2,0,0]=4 5851 B7R1.20 O=C(Cl)CC1CC1 Amb18283320 [1,0,0,1,0,0|2,0,0]=4 5852 B7R1.20 O=C(O)CC1CC1 Amb2686657 [1,0,0,1,0,0|1,0,0]=3 5853 B7R1.20 O=C(O)CC1CO1 Amb25244347 [1,0,0,1,0,0|0,1,0]=3 5854 B7R1.20 O=C(O)C[C@@H]1CO1 Amb27253415 [1,0,0,1,0,0|0,1,0]=3 5855 B7R1.20 O=C(O)C[C@H]1CO1 Amb26068484 [1,0,0,1,0,0|0,1,0]=3 5856 B9R1.7 CCCC1CC(=O)NN1 Amb29862242 [0,0,0,1,0,1|2,0,0]=4 5857 B9R1.7 CCCC1COC(=O)C1 Amb26560581 [0,0,0,1,0,1|2,0,0]=4 5858 B9R1.7 CCCC1COC(=O)N1 Amb26628895 [0,0,0,1,0,1|2,0,0]=4 5859 B9R1.7 CCC[C@@H]1COC(=O)N1 Amb28133695 [0,0,0,1,0,1|2,0,0]=4 5860 B9R1.7 CCC[C@H]1COC(=O)C1 Amb33725639 [0,0,0,1,0,1|2,0,0]=4 5861 B9R1.7 CCC[C@H]1COC(=O)N1 Amb27484954 [0,0,0,1,0,1|2,0,0]=4 5862 B9R1.7 CNCC1=CC(=O)ON1 Amb27645364 [0,0,0,1,0,1|1,0,1]=4 5863 B9R1.7 CNCC1COC(=O)O1 Amb27619965 [0,0,0,1,0,1|2,0,0]=4 5864 B9R1.7 COCC1CC(=O)NN1 Amb35694031 [0,0,0,1,0,1|1,1,0]=4 5865 B9R1.7 COCC1COC(=O)N1 Amb26969707 [0,0,0,1,0,1|1,1,0]=4 5866 B9R1.7 COCC1COC(=O)O1 Amb26318830 [0,0,0,1,0,1|1,1,0]=4 5867 B9R1.7 COC[C@H]1COC(=O)O1 Amb22226690 [0,0,0,1,0,1|1,1,0]=4 5868 B9R1.7 CSCC1=NOC(=O)N1 Amb27205588 [0,0,0,1,0,1|0,0,2]=4 5869 B9R1.7 CSCC1CNC(=O)C1 Amb25888802 [0,0,0,1,0,1|2,0,0]=4 5870 B9R1.7 CSCC1CNC(=O)O1 Amb28193245 [0,0,0,1,0,1|2,0,0]=4 5871 B9R1.7 CSCC1COC(=O)N1 Amb25304404 [0,0,0,1,0,1|1,0,0]=3 5872 B9R1.7 CSC[C@H]1COC(=O)N1 Amb27945522 [0,0,0,1,0,1|1,0,0]=3 5873 B9R1.13 CC(=O)CC1CCCN1 Amb24064067 [0,0,0,1,0,1|2,0,0]=4 5874 B9R1.13 CC(=O)CC1CCSC1 Amb33141833 [0,0,0,1,0,1|2,0,0]=4 5875 B9R1.13 CC(=O)C[C@H]1CCCN1 Amb25887375 [0,0,0,1,0,1|2,0,0]=4 5876 B9R1.13 CC(=O)NC1CCCN1 Amb28400896 [0,0,0,1,0,1|2,0,0]=4 5877 B9R1.13 NC(=O)CC1CCCN1 Amb18282785 [0,0,0,1,0,1|2,0,0]=4 5878 B9R1.13 NC(=O)CC1CCCN1 Amb28934952 [0,0,0,1,0,1|2,0,0]=4 5879 B9R1.13 NC(=O)CC1CCSC1 Amb32672204 [0,0,0,1,0,1|2,0,0]=4 5880 B9R1.13 O=C(Cl)CC1CCCN1 Amb27792098 [0,0,0,1,0,1|2,0,0]=4 5881 B9R1.13 O=C(Cl)NC1CCSC1 Amb35633199 [0,0,0,1,0,1|2,0,0]=4 5882 B9R1.13 O=C(Cl)OC1CCSC1 Amb28051650 [0,0,0,1,0,1|2,0,0]=4 5883 B9R1.13 O=C(O)CC1CCCC1 Amb16192937 [0,0,0,1,0,1|2,0,0]=4 5884 B9R1.13 O=C(O)CC1CCCC1 Amb3939847 [0,0,0,1,0,1|2,0,0]=4 5885 B9R1.13 O=C(O)CC1CCCN1 Amb20668514 [0,0,0,1,0,1|1,0,0]=3 5886 B9R1.13 O=C(O)CC1CCCN1 Amb8387921 [0,0,0,1,0,1|1,0,0]=3 5887 B9R1.13 O=C(O)CC1CCCO1 Amb9713389 [0,0,0,1,0,1|2,0,0]=4 5888 B9R1.13 O=C(O)CC1CCNC1 Amb2695002 [0,0,0,1,0,1|2,0,0]=4 5889 B9R1.13 O=C(O)CC1CCNC1 Amb33549788 [0,0,0,1,0,1|2,0,0]=4 5890 B9R1.13 O=C(O)CC1CCOC1 Amb2696440 [0,0,0,1,0,1|1,1,0]=4 5891 B9R1.13 O=C(O)CC1CCSC1 Amb18202318 [0,0,0,1,0,1|1,0,0]=3 5892 B9R1.13 O=C(O)CC1CCSS1 Amb8388096 [0,0,0,1,0,1|2,0,0]=4 5893 B9R1.13 O=C(O)CC1CSCN1 Amb32990250 [0,0,0,1,0,1|0,0,0]=2 5894 B9R1.13 O=C(O)CC1NCCS1 Amb18644340 [0,0,0,1,0,1|2,0,0]=4 5895 B9R1.13 O=C(O)C[C@@H]1CCCN1 Amb13891876 [0,0,0,1,0,1|1,0,0]=3 5896 B9R1.13 O=C(O)C[C@@H]1CCCN1 Amb8630792 [0,0,0,1,0,1|1,0,0]=3 5897 B9R1.13 O=C(O)C[C@@H]1CCCO1 Amb24271115 [0,0,0,1,0,1|2,0,0]=4 5898 B9R1.13 O=C(O)C[C@@H]1CCNC1 Amb10067024 [0,0,0,1,0,1|2,0,0]=4 5899 B9R1.13 O=C(O)C[C@@H]1CCNC1 Amb26948232 [0,0,0,1,0,1|2,0,0]=4 5900 B9R1.13 O=C(O)C[C@@H]1CCOC1 Amb25887272 [0,0,0,1,0,1|1,1,0]=4 5901 B9R1.13 O=C(O)C[C@H]1CCCN1 Amb16184011 [0,0,0,1,0,1|1,0,0]=3 5902 B9R1.13 O=C(O)C[C@H]1CCCN1 Amb33295230 [0,0,0,1,0,1|1,0,0]=3 5903 B9R1.13 O=C(O)C[C@H]1CCCO1 Amb24271109 [0,0,0,1,0,1|2,0,0]=4 5904 B9R1.13 O=C(O)C[C@H]1CCNC1 Amb2696648 [0,0,0,1,0,1|2,0,0]=4 5905 B9R1.13 O=C(O)C[C@H]1CCNC1 Amb8384306 [0,0,0,1,0,1|2,0,0]=4 5906 B9R1.13 O=C(O)C[C@H]1CCOC1 Amb23401495 [0,0,0,1,0,1|1,1,0]=4 5907 B9R1.13 O=C(O)\C=C1\CCSC1 Amb26390862 [0,0,0,1,0,1|1,0,1]=4 5908 B9R1.22 CCC1NC(=O)CC1N Amb28059613 [0,0,0,1,0,1|2,0,0]=4 5909 B9R1.22 CCC1OC(=O)N=C1N Amb27956607 [0,0,0,1,0,1|1,0,1]=4 5910 B9R1.22 CC[C@@H]1OC(=O)C[C@@H]1O Amb28207149 [0,0,0,1,0,1|2,0,0]=4 5911 B9R1.22 CC[C@@H]1OC(=O)N[C@H]1C Amb27881540 [0,0,0,1,0,1|2,0,0]=4 5912 B9R1.22 CC[C@H]1OC(=O)C[C@H]1O Amb28292165 [0,0,0,1,0,1|2,0,0]=4 5913 B9R1.22 CC[C@H]1OC(=O)N[C@H]1C Amb28252714 [0,0,0,1,0,1|2,0,0]=4 5914 B9R1.25 CCC1C(Cl)C1C(=O)O Amb32656378 [0,0,0,1,0,1|2,0,0]=4 5915 B9R1.34 CC1CC(O)CC(=O)O1 Amb23455145 [0,0,0,1,0,1|2,0,0]=4 5916 B9R1.34 C[C@@H]1C[C@H](N)CC(=O)N1 Amb28134031 [0,0,0,1,0,1|2,0,0]=4 5917 B9R1.41 CC(=O)C1CCCC1N Amb26959185 [0,0,0,1,0,1|2,0,0]=4 5918 B9R1.41 CC(=O)C1COCC1N Amb25918760 [0,0,0,1,0,1|1,1,0]=4 5919 B9R1.41 CC(=O)C1CSCC1C Amb32988245 [0,0,0,1,0,1|2,0,0]=4 5920 B9R1.41 CC(=O)[C@@H]1CCC[C@@H]1N Amb33132196 [0,0,0,1,0,1|2,0,0]=4 5921 B9R1.41 CC1CCCC1C(=O)O Amb8496598 [0,0,0,1,0,1|2,0,0]=4 5922 B9R1.41 CC1CNCC1C(=O)O Amb2695368 [0,0,0,1,0,1|2,0,0]=4 5923 B9R1.41 CC1CNCC1C(=O)O Amb32665482 [0,0,0,1,0,1|2,0,0]=4 5924 B9R1.41 CN1CSCC1C(=O)O Amb19650934 [0,0,0,1,0,1|2,0,0]=4 5925 B9R1.41 CN1CSCC1C(=O)O Amb21959971 [0,0,0,1,0,1|2,0,0]=4 5926 B9R1.41 CN1CSC[C@@H]1C(=O)O Amb27157377 [0,0,0,1,0,1|2,0,0]=4 5927 B9R1.41 CN1CSC[C@H]1C(=O)O Amb10608462 [0,0,0,1,0,1|2,0,0]=4 5928 B9R1.41 CN1CSC[C@H]1C(=O)O Amb22587250 [0,0,0,1,0,1|2,0,0]=4 5929 B9R1.41 C[C@@H]1CCCC1C(=O)O Amb27167847 [0,0,0,1,0,1|2,0,0]=4 5930 B9R1.41 C[C@@H]1CCC[C@@H]1C(=O)O Amb10843957 [0,0,0,1,0,1|2,0,0]=4 5931 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O Amb10843949 [0,0,0,1,0,1|2,0,0]=4 5932 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O Amb27440055 [0,0,0,1,0,1|2,0,0]=4 5933 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O Amb26442159 [0,0,0,1,0,1|2,0,0]=4 5934 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O Amb32664837 [0,0,0,1,0,1|2,0,0]=4 5935 B9R1.41 C[C@@H]1COC[C@H]1C(=O)O Amb28286229 [0,0,0,1,0,1|1,1,0]=4 5936 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O Amb10843959 [0,0,0,1,0,1|2,0,0]=4 5937 B9R1.41 C[C@H]1CCC[C@H]1C(=O)O Amb10843950 [0,0,0,1,0,1|2,0,0]=4 5938 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Amb27217270 [0,0,0,1,0,1|2,0,0]=4 5939 B9R1.41 NC(=O)C1CCCC1N Amb19148786 [0,0,0,1,0,1|2,0,0]=4 5940 B9R1.41 NC(=O)C1CCCC1N Amb32644747 [0,0,0,1,0,1|2,0,0]=4 5941 B9R1.41 NC(=O)C1CCCC1N Amb32662680 [0,0,0,1,0,1|2,0,0]=4 5942 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N Amb8515831 [0,0,0,1,0,1|2,0,0]=4 5943 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Amb26432403 [0,0,0,1,0,1|2,0,0]=4 5944 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Amb32662604 [0,0,0,1,0,1|2,0,0]=4 5945 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Amb32662606 [0,0,0,1,0,1|2,0,0]=4 5946 B9R1.41 NC1=C(C(=O)O)CCC1 Amb20240586 [0,0,0,1,0,1|1,0,1]=4 5947 B9R1.41 NC1C=CCC1C(=O)O Amb25723511 [0,0,0,1,0,1|1,0,1]=4 5948 B9R1.41 NC1CCCC1C(=O)O Amb2697364 [0,0,0,1,0,1|1,0,0]=3 5949 B9R1.41 NC1CCCC1C(=O)O Amb8630257 [0,0,0,1,0,1|1,0,0]=3 5950 B9R1.41 NC1CCCC1C(O)=[ClH] Amb27883058 [0,0,0,1,0,1|2,0,0]=4 5951 B9R1.41 NC1CCNC1C(=O)O Amb27153692 [0,0,0,1,0,1|2,0,0]=4 5952 B9R1.41 NC1CCOC1C(=O)O Amb26642919 [0,0,0,1,0,1|2,0,0]=4 5953 B9R1.41 NC1CNCC1C(=O)O Amb8630131 [0,0,0,1,0,1|1,0,0]=3 5954 B9R1.41 NC1COCC1C(=O)O Amb24709230 [0,0,0,1,0,1|0,1,0]=3 5955 B9R1.41 NC1CSCC1C(=O)O Amb24457278 [0,0,0,1,0,1|0,0,0]=2 5956 B9R1.41 NN1CCCC1C(=O)O Amb18642792 [0,0,0,1,0,1|2,0,0]=4 5957 B9R1.41 NN1CCC[C@H]1C(=O)O Amb25887284 [0,0,0,1,0,1|2,0,0]=4 5958 B9R1.41 N[C@@H]1C=CC[C@@H]1C(=O)O Amb33716093 [0,0,0,1,0,1|1,0,1]=4 5959 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Amb8387462 [0,0,0,1,0,1|1,0,0]=3 5960 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Amb8516030 [0,0,0,1,0,1|1,0,0]=3 5961 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Amb20241297 [0,0,0,1,0,1|1,0,0]=3 5962 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Amb33524005 [0,0,0,1,0,1|1,0,0]=3 5963 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O Amb19929517 [0,0,0,1,0,1|2,0,0]=4 5964 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O Amb31028940 [0,0,0,1,0,1|2,0,0]=4 5965 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Amb31264036 [0,0,0,1,0,1|2,0,0]=4 5966 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Amb32666901 [0,0,0,1,0,1|2,0,0]=4 5967 B9R1.41 N[C@@H]1CNC[C@H]1C(=O)O Amb27207888 [0,0,0,1,0,1|1,0,0]=3 5968 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O Amb24078777 [0,0,0,1,0,1|0,1,0]=3 5969 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O Amb33330248 [0,0,0,1,0,1|0,1,0]=3 5970 B9R1.41 N[C@H]1C=CC[C@H]1C(=O)O Amb26425593 [0,0,0,1,0,1|1,0,1]=4 5971 B9R1.41 N[C@H]1C=CC[C@H]1C(=O)O Amb31307611 [0,0,0,1,0,1|1,0,1]=4 5972 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O Amb20241298 [0,0,0,1,0,1|1,0,0]=3 5973 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O Amb22224860 [0,0,0,1,0,1|1,0,0]=3 5974 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Amb1993719 [0,0,0,1,0,1|1,0,0]=3 5975 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Amb1993764 [0,0,0,1,0,1|1,0,0]=3 5976 B9R1.41 N[C@H]1CCN[C@@H]1C(=O)O Amb27460833 [0,0,0,1,0,1|2,0,0]=4 5977 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O Amb26904835 [0,0,0,1,0,1|2,0,0]=4 5978 B9R1.41 N[C@H]1CNC[C@@H]1C(=O)O Amb27880509 [0,0,0,1,0,1|1,0,0]=3 5979 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O Amb24605467 [0,0,0,1,0,1|0,1,0]=3 5980 B9R1.41 N[C@H]1CSC[C@H]1C(=O)O Amb25980819 [0,0,0,1,0,1|0,0,0]=2 5981 B9R1.41 O=C(O)C1CCCC1O Amb19148040 [0,0,0,1,0,1|2,0,0]=4 5982 B9R1.41 O=C(O)C1CCCC1S Amb18280971 [0,0,0,1,0,1|2,0,0]=4 5983 B9R1.41 O=C(O)C1CNCC1F Amb26864070 [0,0,0,1,0,1|2,0,0]=4 5984 B9R1.41 O=C(O)C1CNCC1F Amb33496211 [0,0,0,1,0,1|2,0,0]=4 5985 B9R1.41 O=C(O)C1CNCC1O Amb22886381 [0,0,0,1,0,1|2,0,0]=4 5986 B9R1.41 O=C(O)C1CNCC1O Amb26026738 [0,0,0,1,0,1|2,0,0]=4 5987 B9R1.41 O=C(O)C1COCC1O Amb27270738 [0,0,0,1,0,1|1,1,0]=4 5988 B9R1.41 O=C(O)C1CSCC1=O Amb16230660 [0,0,0,1,0,1|1,0,1]=4 5989 B9R1.41 O=C(O)C1CSCC1O Amb18831363 [0,0,0,1,0,1|1,0,0]=3 5990 B9R1.41 O=C(O)[C@@H]1CNC[C@@H]1O Amb27186915 [0,0,0,1,0,1|2,0,0]=4 5991 B9R1.41 O=C(O)[C@@H]1CNC[C@H]1O Amb24120417 [0,0,0,1,0,1|2,0,0]=4 5992 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Amb27437088 [0,0,0,1,0,1|2,0,0]=4 5993 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Amb22747315 [0,0,0,1,0,1|2,0,0]=4 5994 B9R1.41 O=C(O)[C@H]1CNC[C@@H]1O Amb27421639 [0,0,0,1,0,1|2,0,0]=4 5995 B9R1.41 O=C(O)[C@H]1CNC[C@H]1O Amb27818119 [0,0,0,1,0,1|2,0,0]=4 5996 B9R1.44 CC1CC1(N)CC(=O)O Amb27816522 [0,0,0,1,0,1|1,0,0]=3 5997 B9R1.44 CC1CC1(N)CC(N)=O Amb27631646 [0,0,0,1,0,1|2,0,0]=4 5998 B9R1.48 CC1CSCCC(=O)N1 Amb27253792 [0,0,0,1,0,1|2,0,0]=4 5999 B9R1.52 C=C1CC(N)C1C(=O)O Amb27590177 [0,0,0,1,0,1|1,0,1]=4 6000 B9R1.52 CC1CC(O)C1C(=O)O Amb28076807 [0,0,0,1,0,1|2,0,0]=4 6001 B9R1.52 CC1CN(C)[C@@H]1C(=O)O Amb30869400 [0,0,0,1,0,1|2,0,0]=4 6002 B9R1.52 CC1CN(C)[C@H]1C(=O)O Amb34915559 [0,0,0,1,0,1|2,0,0]=4 6003 B9R1.52 C[C@H]1C[C@@H](O)[C@H]1C(=O)O Amb28057126 [0,0,0,1,0,1|2,0,0]=4 6004 B9R1.53 CC1CC(CC(=O)O)C1 Amb27461451 [0,0,0,1,0,1|2,0,0]=4 6005 B9R1.53 CN1CC(CC(=O)O)C1 Amb26596162 [0,0,0,1,0,1|2,0,0]=4 6006 B9R1.53 CN1CC(CC(=O)O)C1 Amb28895941 [0,0,0,1,0,1|2,0,0]=4 6007 B9R1.53 C[C@H]1C[C@H](CC(=O)O)C1 Amb27859343 [0,0,0,1,0,1|2,0,0]=4 6008 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [0,0,0,1,0,1|2,0,0]=4 6009 B9R1.59 CCCC1CC1C(=O)O Amb19001459 [0,0,0,1,0,1|2,0,0]=4 6010 B9R1.59 CCCC1OC1C(=O)O Amb24561183 [0,0,0,1,0,1|2,0,0]=4 6011 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O Amb9901777 [0,0,0,1,0,1|2,0,0]=4 6012 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Amb25368727 [0,0,0,1,0,1|2,0,0]=4 6013 B9R1.59 CCC[C@@H]1O[C@H]1C(=O)O Amb27422047 [0,0,0,1,0,1|2,0,0]=4 6014 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O Amb27782329 [0,0,0,1,0,1|2,0,0]=4 6015 B9R1.59 CCC[C@H]1O[C@@H]1C(=O)O Amb27625884 [0,0,0,1,0,1|2,0,0]=4 6016 B9R1.59 COCC1CC1C(=O)O Amb27404704 [0,0,0,1,0,1|1,1,0]=4 6017 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O Amb33098418 [0,0,0,1,0,1|1,1,0]=4 6018 B9R1.59 COC[C@H]1C[C@H]1C(=O)O Amb33098416 [0,0,0,1,0,1|1,1,0]=4 6019 B9R1.59 CSCC1CC1C(=O)O Amb33272939 [0,0,0,1,0,1|1,0,0]=3 6020 B9R1.59 CSC[C@@H]1C[C@H]1C(=O)O Amb33272937 [0,0,0,1,0,1|1,0,0]=3 6021 B9R1.86 CCC1CC1CC(=O)O Amb27249848 [0,0,0,1,0,1|2,0,0]=4 6022 B9R1.137 CC(=O)CC(N)C1CC1 Amb27228240 [0,0,0,1,0,1|2,0,0]=4 6023 B9R1.137 CC(CC(=O)O)C1CC1 Amb6749210 [0,0,0,1,0,1|2,0,0]=4 6024 B9R1.137 NC(=O)CC(N)C1CC1 Amb18988331 [0,0,0,1,0,1|2,0,0]=4 6025 B9R1.137 NC(=O)CC(N)C1CC1 Amb33549860 [0,0,0,1,0,1|2,0,0]=4 6026 B9R1.137 NC(=O)C[C@@H](N)C1CC1 Amb25259754 [0,0,0,1,0,1|2,0,0]=4 6027 B9R1.137 NC(=O)C[C@H](N)C1CC1 Amb28347712 [0,0,0,1,0,1|2,0,0]=4 6028 B9R1.137 NC(CC(=O)O)C1CC1 Amb2683273 [0,0,0,1,0,1|1,0,0]=3 6029 B9R1.137 N[C@@H](CC(=O)O)C1CC1 Amb26989123 [0,0,0,1,0,1|1,0,0]=3 6030 B9R1.137 N[C@@H](CC(=O)O)C1CC1 Amb33329309 [0,0,0,1,0,1|1,0,0]=3 6031 B9R1.137 N[C@H](CC(=O)O)C1CC1 Amb24349802 [0,0,0,1,0,1|1,0,0]=3 6032 B9R1.137 N[C@H](CC(=O)O)C1CC1 Amb33329112 [0,0,0,1,0,1|1,0,0]=3 6033 B9R1.137 O=C(O)CC(O)C1CC1 Amb17231863 [0,0,0,1,0,1|2,0,0]=4 6034 B9R1.137 O=C(O)C[C@@H](O)C1CC1 Amb25367343 [0,0,0,1,0,1|2,0,0]=4 6035 B9R1.137 O=C(O)C[C@H](O)C1CC1 Amb27468740 [0,0,0,1,0,1|2,0,0]=4 6036 B9R1.171 CC(=O)CC1(N)CCC1 Amb25889699 [0,0,0,1,0,1|2,0,0]=4 6037 B9R1.171 CC1(CC(=O)O)CCC1 Amb22735897 [0,0,0,1,0,1|2,0,0]=4 6038 B9R1.171 CC1(CC(=O)O)COC1 Amb20671333 [0,0,0,1,0,1|1,1,0]=4 6039 B9R1.171 NC(=O)CC1(N)CCC1 Amb20622461 [0,0,0,1,0,1|2,0,0]=4 6040 B9R1.171 NC(=O)CC1(N)CCC1 Amb22059756 [0,0,0,1,0,1|2,0,0]=4 6041 B9R1.171 NC(=O)CC1(N)COC1 Amb22039447 [0,0,0,1,0,1|1,1,0]=4 6042 B9R1.171 NC(=O)CC1(N)CSC1 Amb26530400 [0,0,0,1,0,1|1,0,0]=3 6043 B9R1.171 NC1(CC(=O)O)CCC1 Amb20623514 [0,0,0,1,0,1|1,0,0]=3 6044 B9R1.171 NC1(CC(=O)O)CCC1 Amb22059493 [0,0,0,1,0,1|1,0,0]=3 6045 B9R1.171 NC1(CC(=O)O)CNC1 Amb28049161 [0,0,0,1,0,1|1,0,0]=3 6046 B9R1.171 NC1(CC(=O)O)COC1 Amb20671385 [0,0,0,1,0,1|0,1,0]=3 6047 B9R1.171 NC1(CC(=O)O)COC1 Amb33067975 [0,0,0,1,0,1|0,1,0]=3 6048 B9R1.171 NC1(CC(=O)O)CSC1 Amb33253735 [0,0,0,1,0,1|0,0,0]=2 6049 B9R1.171 O=C(O)CC1(F)CCC1 Amb28428638 [0,0,0,1,0,1|2,0,0]=4 6050 B9R1.171 O=C(O)CC1(F)COC1 Amb24564061 [0,0,0,1,0,1|1,1,0]=4 6051 B9R1.171 O=C(O)CC1(O)CCC1 Amb18961452 [0,0,0,1,0,1|2,0,0]=4 6052 B9R1.171 O=C(O)CC1(O)CNC1 Amb25041173 [0,0,0,1,0,1|2,0,0]=4 6053 B9R1.171 O=C(O)CC1(O)COC1 Amb32696745 [0,0,0,1,0,1|1,1,0]=4 6054 B9R1.171 O=C(O)CC1(O)CSC1 Amb27781373 [0,0,0,1,0,1|1,0,0]=3 6055 B9R1.171 O=C(O)CC1(S)CNC1 Amb27451139 [0,0,0,1,0,1|2,0,0]=4 6056 B9R1.177 CSCC1(N)CC(O)C1 Amb33269657 [0,0,0,1,0,1|1,0,1]=4 6057 B9R1.3 CC1CCNC(=O)C1N Amb22229171 [0,1,0,1,0,0|2,0,0]=4 6058 B9R1.3 CC1CSCC(C)C1=O Amb28321902 [0,1,0,1,0,0|2,0,0]=4 6059 B9R1.3 CN1CCCC(N)C1=O Amb23440176 [0,1,0,1,0,0|2,0,0]=4 6060 B9R1.3 CN1CCCC(N)C1=O Amb33536522 [0,1,0,1,0,0|2,0,0]=4 6061 B9R1.3 CN1CCC[C@@H](N)C1=O Amb22745485 [0,1,0,1,0,0|2,0,0]=4 6062 B9R1.3 CN1CCC[C@@H](N)C1=O Amb25709654 [0,1,0,1,0,0|2,0,0]=4 6063 B9R1.3 CN1CCC[C@H](N)C1=O Amb26503808 [0,1,0,1,0,0|2,0,0]=4 6064 B9R1.3 CN1CCC[C@H](N)C1=O Amb33801269 [0,1,0,1,0,0|2,0,0]=4 6065 B9R1.3 C[C@@H]1CCOC(=O)[C@H]1O Amb27197166 [0,1,0,1,0,0|2,0,0]=4 6066 B9R1.3 C[C@H]1CCOC(=O)[C@@H]1O Amb27196773 [0,1,0,1,0,0|2,0,0]=4 6067 B9R1.3 NC1CCCC(=O)C1=O Amb28042602 [0,1,0,1,0,0|1,0,1]=4 6068 B9R1.3 NC1CCCN(O)C1=O Amb25062670 [0,1,0,1,0,0|1,0,0]=3 6069 B9R1.3 N[C@@H]1CCCN(O)C1=O Amb28254924 [0,1,0,1,0,0|1,0,0]=3 6070 B9R1.3 N[C@H]1CCCN(O)C1=O Amb27759969 [0,1,0,1,0,0|1,0,0]=3 6071 B9R1.3 O=C1C(O)CCCC1Br Amb27483787 [0,1,0,1,0,0|2,0,0]=4 6072 B9R1.3 O=C1C(O)COCC1O Amb27221993 [0,1,0,1,0,0|1,1,0]=4 6073 B9R1.3 O=C1[C@H](O)CCC[C@H]1O Amb28052305 [0,1,0,1,0,0|2,0,0]=4 6074 B9R1.37 CC1=C(O)C(=O)C(Br)C1 Amb27768656 [0,1,0,1,0,0|2,0,0]=4 6075 B9R1.37 CC1C(=O)OC(=O)[C@H]1N Amb27664717 [0,1,0,1,0,0|2,0,0]=4 6076 B9R1.37 CC1CC(C)C(O)C1=O Amb27844251 [0,1,0,1,0,0|2,0,0]=4 6077 B9R1.37 CC1OC(=O)C(N)C1C Amb27424680 [0,1,0,1,0,0|1,0,0]=3 6078 B9R1.37 CC1OC(=O)C(O)C1Br Amb27966842 [0,1,0,1,0,0|2,0,0]=4 6079 B9R1.37 CC1OC(=O)C(O)C1I Amb27253078 [0,1,0,1,0,0|2,0,0]=4 6080 B9R1.37 C[C@@H]1OC(=O)[C@@H](N)[C@@H]1C Amb27203003 [0,1,0,1,0,0|1,0,0]=3 6081 B9R1.37 C[C@@H]1OC(=O)[C@@H](N)[C@H]1C Amb25946352 [0,1,0,1,0,0|1,0,0]=3 6082 B9R1.37 C[C@@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27857584 [0,1,0,1,0,0|2,0,0]=4 6083 B9R1.37 C[C@@H]1OC(=O)[C@H](N)[C@@H]1C Amb27961355 [0,1,0,1,0,0|1,0,0]=3 6084 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb25327544 [0,1,0,1,0,0|2,0,0]=4 6085 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1I Amb2612169 [0,1,0,1,0,0|2,0,0]=4 6086 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb24714713 [0,1,0,1,0,0|2,0,0]=4 6087 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27438513 [0,1,0,1,0,0|2,0,0]=4 6088 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@H]1O Amb27640250 [0,1,0,1,0,0|2,0,0]=4 6089 B9R1.37 C[C@H]1OC(=O)[C@H](N)[C@H]1C Amb27421606 [0,1,0,1,0,0|1,0,0]=3 6090 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@@H]1O Amb27642097 [0,1,0,1,0,0|2,0,0]=4 6091 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@H]1O Amb27432207 [0,1,0,1,0,0|2,0,0]=4 6092 B9R1.37 C[C@H]1[C@H](N)C(=O)O[C@@H]1C Amb26415247 [0,1,0,1,0,0|1,0,0]=3 6093 B9R1.37 N[C@H]1CC(=O)N(O)C1=O Amb28249834 [0,1,0,1,0,0|2,0,0]=4 6094 B9R1.45 C=C1CC1C(N)C(=O)O Amb24117258 [0,1,0,1,0,0|1,0,0]=3 6095 B9R1.45 C=C1CC1C(N)C(=O)O Amb27489118 [0,1,0,1,0,0|1,0,0]=3 6096 B9R1.45 C=C1CC1C(O)C(=O)O Amb27816361 [0,1,0,1,0,0|2,0,0]=4 6097 B9R1.45 C=C1C[C@@H]1C(O)C(=O)O Amb28410295 [0,1,0,1,0,0|2,0,0]=4 6098 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O Amb28349320 [0,1,0,1,0,0|1,0,0]=3 6099 B9R1.45 CC1CC1C(C)C(=O)O Amb25708709 [0,1,0,1,0,0|2,0,0]=4 6100 B9R1.45 CC1CC1C(N)C(=O)O Amb33359576 [0,1,0,1,0,0|1,0,0]=3 6101 B9R1.45 CC1CC1C(O)C(=O)O Amb33474336 [0,1,0,1,0,0|2,0,0]=4 6102 B9R1.55 C=C1C[C@@H](C(=O)O)[C@H]1N Amb28055563 [0,1,0,1,0,0|1,0,1]=4 6103 B9R1.55 CC(C)[C@@H]1NC(=O)[C@@H]1N Amb28349277 [0,1,0,1,0,0|2,0,0]=4 6104 B9R1.55 CC(C)[C@@H]1OC(=O)[C@H]1O Amb27196798 [0,1,0,1,0,0|2,0,0]=4 6105 B9R1.55 CC1CC(C(=O)Cl)N1C Amb27594214 [0,1,0,1,0,0|2,0,0]=4 6106 B9R1.55 CC1CC(C(=O)O)N1C Amb28285280 [0,1,0,1,0,0|1,0,0]=3 6107 B9R1.55 CN1CC(C(=O)O)C1=O Amb17593354 [0,1,0,1,0,0|2,0,0]=4 6108 B9R1.55 C[C@@H]1C[C@@H](C(=O)Cl)N1C Amb25336470 [0,1,0,1,0,0|2,0,0]=4 6109 B9R1.55 C[C@@H]1C[C@H](C(=O)Cl)N1C Amb27654275 [0,1,0,1,0,0|2,0,0]=4 6110 B9R1.55 C[C@H]1CC(C(=O)O)[C@@H]1C Amb28132441 [0,1,0,1,0,0|2,0,0]=4 6111 B9R1.55 C[C@H]1C[C@@H](C(=O)Cl)N1C Amb27858264 [0,1,0,1,0,0|2,0,0]=4 6112 B9R1.55 NC1C(=O)NC1C(=O)O Amb25871338 [0,1,0,1,0,0|2,0,0]=4 6113 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O Amb27848566 [0,1,0,1,0,0|2,0,0]=4 6114 B9R1.93 C#CC1CC1(N)C(=O)O Amb23456002 [0,1,0,1,0,0|1,0,1]=4 6115 B9R1.93 C=CC1CC1(N)C(=O)O Amb10068409 [0,1,0,1,0,0|1,0,1]=4 6116 B9R1.93 C=C[C@@H]1C[C@@]1(N)C(=O)O Amb26958678 [0,1,0,1,0,0|1,0,1]=4 6117 B9R1.93 C=C[C@H]1C[C@@]1(N)C(=O)O Amb27221097 [0,1,0,1,0,0|1,0,1]=4 6118 B9R1.93 C=C[C@H]1C[C@]1(N)C(=O)O Amb25105090 [0,1,0,1,0,0|1,0,1]=4 6119 B9R1.93 CC1(C(=O)O)CC1CO Amb24559345 [0,1,0,1,0,0|2,0,0]=4 6120 B9R1.93 CCC1CC1(N)C(=O)O Amb24655862 [0,1,0,1,0,0|1,0,0]=3 6121 B9R1.93 CCC1CC1(O)C(=O)O Amb27607715 [0,1,0,1,0,0|2,0,0]=4 6122 B9R1.93 CC[C@@H]1CC1(N)C(=O)O Amb25104706 [0,1,0,1,0,0|1,0,0]=3 6123 B9R1.93 CC[C@@H]1C[C@@]1(C)C(=O)O Amb33098402 [0,1,0,1,0,0|2,0,0]=4 6124 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O Amb23452849 [0,1,0,1,0,0|1,0,0]=3 6125 B9R1.93 CC[C@@H]1C[C@@]1(N)C(N)=O Amb27215769 [0,1,0,1,0,0|2,0,0]=4 6126 B9R1.93 CC[C@H]1CC1(N)C(=O)O Amb26556180 [0,1,0,1,0,0|1,0,0]=3 6127 B9R1.93 CC[C@H]1C[C@@]1(C)C(=O)O Amb33098405 [0,1,0,1,0,0|2,0,0]=4 6128 B9R1.93 CC[C@H]1C[C@@]1(N)C(N)=O Amb28286397 [0,1,0,1,0,0|2,0,0]=4 6129 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O Amb27961471 [0,1,0,1,0,0|1,0,0]=3 6130 B9R1.93 CC[C@H]1C[C@]1(N)C(N)=O Amb28286982 [0,1,0,1,0,0|2,0,0]=4 6131 B9R1.93 C[C@@]1(C(=O)O)C[C@@H]1CO Amb33098403 [0,1,0,1,0,0|2,0,0]=4 6132 B9R1.93 C[C@@]1(C(=O)O)C[C@H]1CO Amb33098404 [0,1,0,1,0,0|2,0,0]=4 6133 B9R1.93 C[C@]1(C(=O)O)C[C@@H]1CF Amb33098429 [0,1,0,1,0,0|2,0,0]=4 6134 B9R1.93 C[C@]1(C(=O)O)C[C@@H]1CO Amb33098423 [0,1,0,1,0,0|2,0,0]=4 6135 B9R1.93 NC1(C(=O)O)CC1CO Amb25828351 [0,1,0,1,0,0|1,0,0]=3 6136 B9R1.93 NCC1CC1(N)C(=O)O Amb27873291 [0,1,0,1,0,0|1,0,0]=3 6137 B9R1.93 NC[C@@H]1C[C@@]1(N)C(=O)O Amb24763621 [0,1,0,1,0,0|1,0,0]=3 6138 B9R1.93 N[C@@]1(C(=O)O)C[C@H]1CO Amb26405303 [0,1,0,1,0,0|1,0,0]=3 6139 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO Amb2694928 [0,1,0,1,0,0|1,0,0]=3 6140 B9R1.93 N[C@]1(C(=O)O)C[C@H]1CO Amb25101898 [0,1,0,1,0,0|1,0,0]=3 6141 B9R1.93 O=C(O)C1(Cl)CC1CCl Amb24404084 [0,1,0,1,0,0|2,0,0]=4 6142 B9R1.96 CCC1CCC1C(=O)O Amb25727014 [0,1,0,1,0,0|2,0,0]=4 6143 B9R1.96 CCC1CN[C@@H]1C(=O)O Amb30633665 [0,1,0,1,0,0|1,0,0]=3 6144 B9R1.96 COC1CCC1C(=O)O Amb26516125 [0,1,0,1,0,0|1,1,0]=4 6145 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O Amb34912847 [0,1,0,1,0,0|1,1,0]=4 6146 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O Amb26636288 [0,1,0,1,0,0|1,1,0]=4 6147 B9R1.96 C\C=C1/CN[C@@H]1C(=O)O Amb25075476 [0,1,0,1,0,0|1,0,1]=4 6148 B9R1.101 C#CC(=O)C(N)C1CC1 Amb27655830 [0,1,0,1,0,0|2,0,0]=4 6149 B9R1.101 C=CC(=O)C(N)C1CC1 Amb27867676 [0,1,0,1,0,0|2,0,0]=4 6150 B9R1.101 CCC(=O)C(N)C1CC1 Amb27430948 [0,1,0,1,0,0|2,0,0]=4 6151 B9R1.101 COC(=O)C(Br)C1CC1 Amb26638854 [0,1,0,1,0,0|2,0,0]=4 6152 B9R1.101 COC(=O)C(Cl)C1CC1 Amb20623820 [0,1,0,1,0,0|2,0,0]=4 6153 B9R1.101 COC(=O)C(N)C1CC1 Amb13883561 [0,1,0,1,0,0|1,0,0]=3 6154 B9R1.101 COC(=O)C(N)C1CC1 Amb19149335 [0,1,0,1,0,0|1,0,0]=3 6155 B9R1.101 COC(=O)C(O)C1CC1 Amb22059072 [0,1,0,1,0,0|2,0,0]=4 6156 B9R1.101 COC(=O)C(S)C1CC1 Amb24384464 [0,1,0,1,0,0|2,0,0]=4 6157 B9R1.101 COC(=O)N(N)C1CC1 Amb33191645 [0,1,0,1,0,0|2,0,0]=4 6158 B9R1.101 COC(=O)[C@@H](N)C1CC1 Amb2699131 [0,1,0,1,0,0|1,0,0]=3 6159 B9R1.101 COC(=O)[C@@H](N)C1CC1 Amb8630385 [0,1,0,1,0,0|1,0,0]=3 6160 B9R1.101 COC(=O)[C@H](N)C1CC1 Amb2699130 [0,1,0,1,0,0|1,0,0]=3 6161 B9R1.101 COC(=O)[C@H](N)C1CC1 Amb33836774 [0,1,0,1,0,0|1,0,0]=3 6162 B9R1.101 NNC(=O)C(N)C1CC1 Amb27795794 [0,1,0,1,0,0|2,0,0]=4 6163 B9R1.101 N\C(=N/O)C(N)C1CC1 Amb25147192 [0,1,0,1,0,0|2,0,0]=4 6164 B9R1.110 C=C(C)C(N)C1CSC1 Amb35697083 [0,1,0,1,0,0|2,0,0]=4 6165 B9R1.110 CC(=O)C(N)C1CCC1 Amb25062195 [0,1,0,1,0,0|2,0,0]=4 6166 B9R1.110 CC(C(=O)O)C1CCC1 Amb33543919 [0,1,0,1,0,0|2,0,0]=4 6167 B9R1.110 CC(C(=O)O)C1CCO1 Amb26595674 [0,1,0,1,0,0|1,1,0]=4 6168 B9R1.110 CC(C(=O)O)C1CNC1 Amb26649377 [0,1,0,1,0,0|2,0,0]=4 6169 B9R1.110 CC(C(=O)O)C1CNC1 Amb28555391 [0,1,0,1,0,0|2,0,0]=4 6170 B9R1.110 CC(C(=O)O)C1COC1 Amb33313543 [0,1,0,1,0,0|1,1,0]=4 6171 B9R1.110 CC(C(=O)O)N1CCC1 Amb24178905 [0,1,0,1,0,0|2,0,0]=4 6172 B9R1.110 CC(C(=O)O)N1CCC1 Amb33329262 [0,1,0,1,0,0|2,0,0]=4 6173 B9R1.110 C[C@@H](C(=O)O)C1COC1 Amb33727764 [0,1,0,1,0,0|1,1,0]=4 6174 B9R1.110 C[C@H](C(=O)O)C1COC1 Amb33749535 [0,1,0,1,0,0|1,1,0]=4 6175 B9R1.110 NC(=O)C(N)C1CCC1 Amb27237393 [0,1,0,1,0,0|2,0,0]=4 6176 B9R1.110 NC(=O)C(N)C1COC1 Amb33065789 [0,1,0,1,0,0|1,1,0]=4 6177 B9R1.110 NC(C(=O)O)C1=CCC1 Amb27792901 [0,1,0,1,0,0|1,0,1]=4 6178 B9R1.110 NC(C(=O)O)C1CCC1 Amb19149365 [0,1,0,1,0,0|1,0,0]=3 6179 B9R1.110 NC(C(=O)O)C1CNC1 Amb30040080 [0,1,0,1,0,0|1,0,0]=3 6180 B9R1.110 NC(C(=O)O)C1COC1 Amb22405987 [0,1,0,1,0,0|0,1,0]=3 6181 B9R1.110 NC(C(=O)O)C1CSC1 Amb27844776 [0,1,0,1,0,0|0,0,0]=2 6182 B9R1.110 N[C@@H](C(=O)O)C1CCC1 Amb8395977 [0,1,0,1,0,0|1,0,0]=3 6183 B9R1.110 N[C@@H](C(=O)O)C1COC1 Amb22737550 [0,1,0,1,0,0|0,1,0]=3 6184 B9R1.110 N[C@H](C(=O)O)C1CCC1 Amb30633821 [0,1,0,1,0,0|1,0,0]=3 6185 B9R1.110 N[C@H](C(=O)O)C1CCC1 Amb8395976 [0,1,0,1,0,0|1,0,0]=3 6186 B9R1.110 N[C@H](C(=O)O)C1COC1 Amb22737551 [0,1,0,1,0,0|0,1,0]=3 6187 B9R1.110 O=C(O)C(F)C1CCC1 Amb27760713 [0,1,0,1,0,0|2,0,0]=4 6188 B9R1.110 O=C(O)C(F)C1COC1 Amb33165607 [0,1,0,1,0,0|1,1,0]=4 6189 B9R1.110 O=C(O)C(O)C1CCC1 Amb24426901 [0,1,0,1,0,0|2,0,0]=4 6190 B9R1.110 O=C(O)C(O)C1COC1 Amb26860151 [0,1,0,1,0,0|1,1,0]=4 6191 B9R1.110 O=C(O)[C@@H](O)C1CCC1 Amb34164748 [0,1,0,1,0,0|2,0,0]=4 6192 B9R1.110 O=C(O)[C@H](O)C1CCC1 Amb34165382 [0,1,0,1,0,0|2,0,0]=4 6193 B9R1.111 CC(C(=O)O)C1(C)CC1 Amb18832624 [0,1,0,1,0,0|2,0,0]=4 6194 B9R1.111 CC(C(=O)O)C1(F)CC1 Amb27491857 [0,1,0,1,0,0|2,0,0]=4 6195 B9R1.111 CC(C(=O)O)C1(N)CC1 Amb18832571 [0,1,0,1,0,0|2,0,0]=4 6196 B9R1.111 CC(C(=O)O)C1(O)CC1 Amb27875945 [0,1,0,1,0,0|2,0,0]=4 6197 B9R1.111 CC1(C(N)C(=O)O)CC1 Amb25146159 [0,1,0,1,0,0|1,0,0]=3 6198 B9R1.111 CC1(C(N)C(=O)O)CC1 Amb30869387 [0,1,0,1,0,0|1,0,0]=3 6199 B9R1.111 CC1(C(O)C(=O)O)CC1 Amb33361276 [0,1,0,1,0,0|2,0,0]=4 6200 B9R1.111 CC1([C@@H](N)C(=O)O)CC1 Amb27630930 [0,1,0,1,0,0|1,0,0]=3 6201 B9R1.111 CC1([C@H](N)C(=O)O)CC1 Amb27965965 [0,1,0,1,0,0|1,0,0]=3 6202 B9R1.111 CC1([C@H](N)C(=O)O)CC1 Amb28989798 [0,1,0,1,0,0|1,0,0]=3 6203 B9R1.111 C[C@@H](C(=O)O)C1(C)CC1 Amb33738113 [0,1,0,1,0,0|2,0,0]=4 6204 B9R1.111 C[C@H](C(=O)O)C1(C)CC1 Amb33744643 [0,1,0,1,0,0|2,0,0]=4 6205 B9R1.111 NC(C(=O)O)C1(N)CC1 Amb26850724 [0,1,0,1,0,0|1,0,0]=3 6206 B9R1.111 NC(C(=O)O)C1(S)CC1 Amb27785321 [0,1,0,1,0,0|1,0,0]=3 6207 B9R1.111 NC1(C(O)C(=O)O)CC1 Amb27235816 [0,1,0,1,0,0|2,0,0]=4 6208 B9R1.111 N[C@@H](C(=O)O)C1(O)CC1 Amb22751391 [0,1,0,1,0,0|1,0,0]=3 6209 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 Amb24117270 [0,1,0,1,0,0|1,0,0]=3 6210 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 Amb27216712 [0,1,0,1,0,0|1,0,0]=3 6211 B9R1.127 CCC1(C)CC1C(=O)O Amb18285802 [0,1,0,1,0,0|2,0,0]=4 6212 B9R1.132 CCC1COC(=O)C1N Amb28285145 [0,1,0,1,0,0|1,0,0]=3 6213 B9R1.132 CC[C@@H]1COC(=O)[C@H]1N Amb28345688 [0,1,0,1,0,0|1,0,0]=3 6214 B9R1.132 CO[C@H]1COC(=O)[C@@H]1O Amb27432154 [0,1,0,1,0,0|1,1,0]=4 6215 B9R1.132 NC1C(=O)OCC1CO Amb27804109 [0,1,0,1,0,0|2,0,0]=4 6216 B9R1.132 NC1C(=O)OCC1CS Amb27637863 [0,1,0,1,0,0|2,0,0]=4 6217 B9R1.141 C[C@H]1[C@@H](C)[C@]1(C)C(=O)O Amb28248727 [0,1,0,1,0,0|2,0,0]=4 6218 B9R1.159 CC1(C(=O)O)CCC1N Amb28397422 [0,1,0,1,0,0|2,0,0]=4 6219 B9R1.159 CC1CCC1(C)C(=O)O Amb28397417 [0,1,0,1,0,0|2,0,0]=4 6220 B9R1.159 CC1CCC1(N)C(=O)O Amb23456072 [0,1,0,1,0,0|1,0,0]=3 6221 B9R1.159 C[C@@H]1CC[C@@]1(C)C(=O)O Amb27655982 [0,1,0,1,0,0|2,0,0]=4 6222 B9R1.159 C[C@@H]1CC[C@@]1(N)C(=O)O Amb26027352 [0,1,0,1,0,0|1,0,0]=3 6223 B9R1.159 C[C@@H]1CC[C@@]1(N)C(N)=O Amb28346845 [0,1,0,1,0,0|2,0,0]=4 6224 B9R1.159 C[C@@H]1CC[C@]1(N)C(=O)O Amb24586126 [0,1,0,1,0,0|1,0,0]=3 6225 B9R1.159 C[C@H]1CC[C@@]1(N)C(=O)O Amb28056437 [0,1,0,1,0,0|1,0,0]=3 6226 B9R1.159 C[C@]1(C(=O)O)CC[C@H]1N Amb27961498 [0,1,0,1,0,0|2,0,0]=4 6227 B9R1.159 NC1(C(=O)O)CCC1O Amb27482724 [0,1,0,1,0,0|1,0,0]=3 6228 B9R1.159 NC1CCC1(F)C(=O)O Amb27768660 [0,1,0,1,0,0|2,0,0]=4 6229 B9R1.159 N[C@@H]1CC[C@]1(F)C(=O)O Amb27188263 [0,1,0,1,0,0|2,0,0]=4 6230 B9R1.159 N[C@H]1CC[C@@]1(N)C(=O)O Amb27216513 [0,1,0,1,0,0|1,0,0]=3 6231 B9R1.159 N[C@]1(C(=O)O)CC[C@@H]1O Amb28058284 [0,1,0,1,0,0|1,0,0]=3 6232 B9R1.159 O=C(O)C1(O)CCC1Br Amb28137512 [0,1,0,1,0,0|2,0,0]=4 6233 B9R1.188 COC(=O)C1(C)CC1C Amb26415550 [0,1,0,1,0,0|2,0,0]=4 6234 B9R1.188 COC(=O)C1(N)CC1Br Amb24728828 [0,1,0,1,0,0|2,0,0]=4 6235 B9R1.188 COC(=O)[C@]1(C)C[C@H]1C Amb27636165 [0,1,0,1,0,0|2,0,0]=4 6236 B9R1.188 COC(=O)[C@]1(N)C[C@@H]1Br Amb28137741 [0,1,0,1,0,0|2,0,0]=4 6237 B9R1.188 COC(=O)[C@]1(N)C[C@@H]1C Amb27419940 [0,1,0,1,0,0|1,0,0]=3 6238 B9R1.188 COC(=O)[C@]1(N)C[C@H]1C Amb27619292 [0,1,0,1,0,0|1,0,0]=3 6239 B9R1.5 NC1CCCCCC1=O Amb18276126 [0,1,0,1,0,0|2,0,0]=4 6240 B9R1.5 NC1CCCCCC1=O Amb28934932 [0,1,0,1,0,0|2,0,0]=4 6241 B9R1.5 NC1CCCCNC1=O Amb19958477 [0,1,0,1,0,0|2,0,0]=4 6242 B9R1.5 NC1CCCCNC1=O Amb9721937 [0,1,0,1,0,0|2,0,0]=4 6243 B9R1.5 NC1CSCCNC1=O Amb25336468 [0,1,0,1,0,0|1,0,0]=3 6244 B9R1.5 NC1CSCCNC1=O Amb32412582 [0,1,0,1,0,0|1,0,0]=3 6245 B9R1.5 N[C@@H]1CCCCNC1=O Amb10608775 [0,1,0,1,0,0|2,0,0]=4 6246 B9R1.5 N[C@@H]1CCCCNC1=O Amb20670688 [0,1,0,1,0,0|2,0,0]=4 6247 B9R1.5 N[C@@H]1CSCCC[C@H]1O Amb27231398 [0,1,0,1,0,0|1,0,1]=4 6248 B9R1.5 N[C@@H]1CSCCNC1=O Amb19374458 [0,1,0,1,0,0|1,0,0]=3 6249 B9R1.5 N[C@@H]1CSCCNC1=O Amb32414615 [0,1,0,1,0,0|1,0,0]=3 6250 B9R1.5 N[C@H]1CCCCNC1=O Amb19929579 [0,1,0,1,0,0|2,0,0]=4 6251 B9R1.5 N[C@H]1CCCCNC1=O Amb532926 [0,1,0,1,0,0|2,0,0]=4 6252 B9R1.5 N[C@H]1COCCNC1=O Amb27234381 [0,1,0,1,0,0|1,1,0]=4 6253 B9R1.5 N[C@H]1CSCCNC1=O Amb10067826 [0,1,0,1,0,0|1,0,0]=3 6254 B9R1.11 C#CC(=O)C1CCCN1 Amb26983722 [0,1,0,1,0,0|2,0,0]=4 6255 B9R1.11 C#CC(=O)[C@@H]1CCCN1 Amb33132129 [0,1,0,1,0,0|2,0,0]=4 6256 B9R1.11 C#CC(=O)[C@H]1CCCN1 Amb30038901 [0,1,0,1,0,0|2,0,0]=4 6257 B9R1.11 C=C(CO)[C@@H]1CCCN1 Amb27473829 [0,1,0,1,0,0|2,0,0]=4 6258 B9R1.11 C=CC(=O)C1CCCN1 Amb24376988 [0,1,0,1,0,0|2,0,0]=4 6259 B9R1.11 C=CC(=O)C1CCSC1 Amb24393990 [0,1,0,1,0,0|2,0,0]=4 6260 B9R1.11 C=CC(=O)[C@@H]1CCCN1 Amb33132130 [0,1,0,1,0,0|2,0,0]=4 6261 B9R1.11 C=CC(=O)[C@H]1CCCN1 Amb33132116 [0,1,0,1,0,0|2,0,0]=4 6262 B9R1.11 CCC(=O)C1CCCN1 Amb17231849 [0,1,0,1,0,0|2,0,0]=4 6263 B9R1.11 CCC(=O)C1CCCN1 Amb32666386 [0,1,0,1,0,0|2,0,0]=4 6264 B9R1.11 CCC(=O)C1CCSC1 Amb25139897 [0,1,0,1,0,0|2,0,0]=4 6265 B9R1.11 CCC(=O)[C@@H]1CCCN1 Amb26856430 [0,1,0,1,0,0|2,0,0]=4 6266 B9R1.11 CCC(=O)[C@@H]1CCCN1 Amb32663156 [0,1,0,1,0,0|2,0,0]=4 6267 B9R1.11 CCC(=O)[C@H]1CCCN1 Amb33132117 [0,1,0,1,0,0|2,0,0]=4 6268 B9R1.11 CNC(=O)C1CCCN1 Amb10609065 [0,1,0,1,0,0|2,0,0]=4 6269 B9R1.11 CNC(=O)C1CCCN1 Amb9717334 [0,1,0,1,0,0|2,0,0]=4 6270 B9R1.11 CNC(=O)[C@@H]1CCCN1 Amb10874670 [0,1,0,1,0,0|2,0,0]=4 6271 B9R1.11 CNC(=O)[C@@H]1CCCN1 Amb15740702 [0,1,0,1,0,0|2,0,0]=4 6272 B9R1.11 CNC(=O)[C@@H]1CCCN1 Amb22587500 [0,1,0,1,0,0|2,0,0]=4 6273 B9R1.11 CNC(=O)[C@H]1CCCN1 Amb22232105 [0,1,0,1,0,0|2,0,0]=4 6274 B9R1.11 CNC(=O)[C@H]1CCCN1 Amb22587598 [0,1,0,1,0,0|2,0,0]=4 6275 B9R1.11 COC(=N)C1CCSC1 Amb29863240 [0,1,0,1,0,0|2,0,0]=4 6276 B9R1.11 COC(=O)C1=CCSC1 Amb22235064 [0,1,0,1,0,0|1,0,1]=4 6277 B9R1.11 COC(=O)C1C=CCN1 Amb17621965 [0,1,0,1,0,0|1,0,1]=4 6278 B9R1.11 COC(=O)C1C=CCN1 Amb2720249 [0,1,0,1,0,0|1,0,1]=4 6279 B9R1.11 COC(=O)C1CCCC1 Amb4021254 [0,1,0,1,0,0|2,0,0]=4 6280 B9R1.11 COC(=O)C1CCCN1 Amb33539333 [0,1,0,1,0,0|1,0,0]=3 6281 B9R1.11 COC(=O)C1CCCN1 Amb5492762 [0,1,0,1,0,0|1,0,0]=3 6282 B9R1.11 COC(=O)C1CCCO1 Amb8392933 [0,1,0,1,0,0|2,0,0]=4 6283 B9R1.11 COC(=O)C1CCCS1 Amb23590656 [0,1,0,1,0,0|2,0,0]=4 6284 B9R1.11 COC(=O)C1CCC[NH2+]1 Amb22045239 [0,1,0,1,0,0|1,0,1]=4 6285 B9R1.11 COC(=O)C1CCC[NH2+]1 Amb33513046 [0,1,0,1,0,0|1,0,1]=4 6286 B9R1.11 COC(=O)C1CCNC1 Amb2695367 [0,1,0,1,0,0|2,0,0]=4 6287 B9R1.11 COC(=O)C1CCNC1 Amb9721388 [0,1,0,1,0,0|2,0,0]=4 6288 B9R1.11 COC(=O)C1CCNN1 Amb27218833 [0,1,0,1,0,0|2,0,0]=4 6289 B9R1.11 COC(=O)C1CCOC1 Amb10610344 [0,1,0,1,0,0|1,1,0]=4 6290 B9R1.11 COC(=O)C1CCSC1 Amb24598032 [0,1,0,1,0,0|1,0,0]=3 6291 B9R1.11 COC(=O)C1CCSS1 Amb33483432 [0,1,0,1,0,0|2,0,0]=4 6292 B9R1.11 COC(=O)C1COCN1 Amb27754634 [0,1,0,1,0,0|0,1,0]=3 6293 B9R1.11 COC(=O)C1CSCN1 Amb1154599 [0,1,0,1,0,0|0,0,0]=2 6294 B9R1.11 COC(=O)C1CSCN1 Amb2967255 [0,1,0,1,0,0|0,0,0]=2 6295 B9R1.11 COC(=O)C1NCCS1 Amb3941401 [0,1,0,1,0,0|2,0,0]=4 6296 B9R1.11 COC(=O)[C@@H]1C=CCN1 Amb16183938 [0,1,0,1,0,0|1,0,1]=4 6297 B9R1.11 COC(=O)[C@@H]1C=CCN1 Amb22800018 [0,1,0,1,0,0|1,0,1]=4 6298 B9R1.11 COC(=O)[C@@H]1CC=NN1 Amb24340266 [0,1,0,1,0,0|2,0,0]=4 6299 B9R1.11 COC(=O)[C@@H]1CCCN1 Amb2700050 [0,1,0,1,0,0|1,0,0]=3 6300 B9R1.11 COC(=O)[C@@H]1CCCN1 Amb2720243 [0,1,0,1,0,0|1,0,0]=3 6301 B9R1.11 COC(=O)[C@@H]1CCCO1 Amb25113406 [0,1,0,1,0,0|2,0,0]=4 6302 B9R1.11 COC(=O)[C@@H]1CCNC1 Amb20241764 [0,1,0,1,0,0|2,0,0]=4 6303 B9R1.11 COC(=O)[C@@H]1CCNC1 Amb22225397 [0,1,0,1,0,0|2,0,0]=4 6304 B9R1.11 COC(=O)[C@@H]1CCNC1 Amb22405891 [0,1,0,1,0,0|2,0,0]=4 6305 B9R1.11 COC(=O)[C@@H]1CCOC1 Amb27167435 [0,1,0,1,0,0|1,1,0]=4 6306 B9R1.11 COC(=O)[C@@H]1CSC=N1 Amb28286149 [0,1,0,1,0,0|0,0,2]=4 6307 B9R1.11 COC(=O)[C@@H]1CSCN1 Amb5759061 [0,1,0,1,0,0|0,0,0]=2 6308 B9R1.11 COC(=O)[C@@H]1CSCN1 Amb9860665 [0,1,0,1,0,0|0,0,0]=2 6309 B9R1.11 COC(=O)[C@H]1C=CCN1 Amb27430886 [0,1,0,1,0,0|1,0,1]=4 6310 B9R1.11 COC(=O)[C@H]1CC=NN1 Amb25976015 [0,1,0,1,0,0|2,0,0]=4 6311 B9R1.11 COC(=O)[C@H]1CCCN1 Amb10844896 [0,1,0,1,0,0|1,0,0]=3 6312 B9R1.11 COC(=O)[C@H]1CCCN1 Amb2700059 [0,1,0,1,0,0|1,0,0]=3 6313 B9R1.11 COC(=O)[C@H]1CCC[NH2+]1 Amb6366044 [0,1,0,1,0,0|1,0,1]=4 6314 B9R1.11 COC(=O)[C@H]1CCNC1 Amb22405890 [0,1,0,1,0,0|2,0,0]=4 6315 B9R1.11 COC(=O)[C@H]1CCNC1 Amb22744897 [0,1,0,1,0,0|2,0,0]=4 6316 B9R1.11 COC(=O)[C@H]1CCNC1 Amb28398077 [0,1,0,1,0,0|2,0,0]=4 6317 B9R1.11 COC(=O)[C@H]1CCOC1 Amb23439173 [0,1,0,1,0,0|1,1,0]=4 6318 B9R1.11 COC(=O)[C@H]1CSCN1 Amb25865131 [0,1,0,1,0,0|0,0,0]=2 6319 B9R1.11 NCC(=O)C1CCSC1 Amb18201886 [0,1,0,1,0,0|2,0,0]=4 6320 B9R1.11 NNC(=O)C1CCCN1 Amb18061830 [0,1,0,1,0,0|2,0,0]=4 6321 B9R1.11 NNC(=O)C1CSCN1 Amb24730884 [0,1,0,1,0,0|1,0,0]=3 6322 B9R1.11 NNC(=O)[C@@H]1CSCN1 Amb25865010 [0,1,0,1,0,0|1,0,0]=3 6323 B9R1.11 NNC(=O)[C@H]1CSCN1 Amb28049813 [0,1,0,1,0,0|1,0,0]=3 6324 B9R1.11 NOC(=O)C1CCOC1 Amb22170066 [0,1,0,1,0,0|1,1,0]=4 6325 B9R1.11 N\C(=N/O)C1CCCN1 Amb24749080 [0,1,0,1,0,0|2,0,0]=4 6326 B9R1.11 N\C(=N/O)C1CCSC1 Amb33033682 [0,1,0,1,0,0|2,0,0]=4 6327 B9R1.11 O=C(CBr)C1CCSC1 Amb28388771 [0,1,0,1,0,0|2,0,0]=4 6328 B9R1.11 O=C(CCl)C1CCSC1 Amb27753331 [0,1,0,1,0,0|2,0,0]=4 6329 B9R1.11 O=C(CO)C1CCCC1 Amb28194788 [0,1,0,1,0,0|2,0,0]=4 6330 B9R1.11 O=C(CO)C1CCOC1 Amb27390723 [0,1,0,1,0,0|1,1,0]=4 6331 B9R1.11 O=C(NO)C1CCCC1 Amb6262531 [0,1,0,1,0,0|2,0,0]=4 6332 B9R1.11 O=C(NO)C1CCCN1 Amb25127054 [0,1,0,1,0,0|1,0,0]=3 6333 B9R1.11 O=C(NO)C1CCCN1 Amb33204459 [0,1,0,1,0,0|1,0,0]=3 6334 B9R1.11 O=C(NO)C1CCCO1 Amb6264210 [0,1,0,1,0,0|2,0,0]=4 6335 B9R1.11 O=C(NO)C1CCCS1 Amb27170986 [0,1,0,1,0,0|2,0,0]=4 6336 B9R1.11 O=C(NO)C1CCNC1 Amb27856778 [0,1,0,1,0,0|2,0,0]=4 6337 B9R1.11 O=C(NO)C1CSCN1 Amb27762965 [0,1,0,1,0,0|0,0,0]=2 6338 B9R1.11 O=C(NO)[C@@H]1CCCN1 Amb27410904 [0,1,0,1,0,0|1,0,0]=3 6339 B9R1.11 O=C(NO)[C@@H]1CCNC1 Amb35675145 [0,1,0,1,0,0|2,0,0]=4 6340 B9R1.11 O=C(NO)[C@H]1CCCO1 Amb27837680 [0,1,0,1,0,0|2,0,0]=4 6341 B9R1.11 O=C(NO)[C@H]1CCNC1 Amb35593664 [0,1,0,1,0,0|2,0,0]=4 6342 B9R1.15 CC[C@@H]1CCCOC1=O Amb26601602 [0,1,0,1,0,0|2,0,0]=4 6343 B9R1.15 CC[C@H]1CCCOC1=O Amb24477860 [0,1,0,1,0,0|2,0,0]=4 6344 B9R1.15 CNC1CCCCC1=O Amb28984230 [0,1,0,1,0,0|2,0,0]=4 6345 B9R1.15 CNC1CCCCC1=O Amb3644506 [0,1,0,1,0,0|2,0,0]=4 6346 B9R1.15 CNC1CCCNC1=O Amb28934961 [0,1,0,1,0,0|2,0,0]=4 6347 B9R1.15 N#CC1CSCCC1=O Amb18831716 [0,1,0,1,0,0|1,0,1]=4 6348 B9R1.15 NCC1CCCCC1=O Amb18203259 [0,1,0,1,0,0|2,0,0]=4 6349 B9R1.15 NCC1CCCNC1=O Amb19514595 [0,1,0,1,0,0|2,0,0]=4 6350 B9R1.15 NCC1CCCNC1=O Amb23586199 [0,1,0,1,0,0|2,0,0]=4 6351 B9R1.15 NCC1CSCCC1O Amb18202213 [0,1,0,1,0,0|1,0,1]=4 6352 B9R1.33 CCCC1COCC1=O Amb35639022 [0,1,0,1,0,0|2,0,0]=4 6353 B9R1.33 CNCC1C=NOC1=O Amb28287807 [0,1,0,1,0,0|1,0,1]=4 6354 B9R1.33 COCC1COCC1=O Amb35639023 [0,1,0,1,0,0|1,1,0]=4 6355 B9R1.33 CSCC1CCCC1=O Amb27838797 [0,1,0,1,0,0|2,0,0]=4 6356 B9R1.33 CSCC1CNCC1O Amb27970651 [0,1,0,1,0,0|1,0,1]=4 6357 B9R1.33 CSC[C@H]1CNC[C@@H]1O Amb25174892 [0,1,0,1,0,0|1,0,1]=4 6358 B9R1.69 CC1=CCC(C)C(=O)O1 Amb6600560 [0,1,0,1,0,0|2,0,0]=4 6359 B9R1.69 CC1CC(=O)C(C)CS1 Amb4399940 [0,1,0,1,0,0|2,0,0]=4 6360 B9R1.69 CC1CCC(N)C(=O)N1 Amb26015847 [0,1,0,1,0,0|2,0,0]=4 6361 B9R1.69 CC1CCC(O)C(=O)O1 Amb28285159 [0,1,0,1,0,0|2,0,0]=4 6362 B9R1.69 CN1CCC(=O)C(N)C1 Amb18832618 [0,1,0,1,0,0|2,0,0]=4 6363 B9R1.69 C[C@H]1C[C@@H](C)COC1=O Amb27251551 [0,1,0,1,0,0|2,0,0]=4 6364 B9R1.69 NC1CC(O)CCC1=O Amb28430066 [0,1,0,1,0,0|2,0,0]=4 6365 B9R1.69 NC1CC(O)CNC1=O Amb25076949 [0,1,0,1,0,0|2,0,0]=4 6366 B9R1.69 NC1CCC(=O)OC1=O Amb27838431 [0,1,0,1,0,0|1,0,1]=4 6367 B9R1.69 N[C@@H]1C[C@H](O)CNC1=O Amb22745558 [0,1,0,1,0,0|2,0,0]=4 6368 B9R1.69 N[C@@H]1C[C@H](O)CNC1=O Amb22755435 [0,1,0,1,0,0|2,0,0]=4 6369 B9R1.69 N[C@H]1CCC(O)NC1=O Amb26317903 [0,1,0,1,0,0|2,0,0]=4 6370 B9R1.69 N[C@H]1C[C@@H](O)CNC1=O Amb25277394 [0,1,0,1,0,0|2,0,0]=4 6371 B9R1.82 CC1CC(C(=O)NO)C1 Amb27203488 [0,1,0,1,0,0|2,0,0]=4 6372 B9R1.82 COC(=O)C1CC(=O)N1 Amb24711580 [0,1,0,1,0,0|2,0,0]=4 6373 B9R1.82 COC(=O)C1CC(C)C1 Amb25771219 [0,1,0,1,0,0|2,0,0]=4 6374 B9R1.82 COC(=O)C1CC(C)N1 Amb33743739 [0,1,0,1,0,0|1,0,0]=3 6375 B9R1.82 COC(=O)C1CC(C)N1 Amb33743758 [0,1,0,1,0,0|1,0,0]=3 6376 B9R1.82 COC(=O)C1CC(C)O1 Amb22737249 [0,1,0,1,0,0|2,0,0]=4 6377 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Amb22747568 [0,1,0,1,0,0|2,0,0]=4 6378 B9R1.82 COC(=O)[C@@H]1CC(=S)N1 Amb24478569 [0,1,0,1,0,0|2,0,0]=4 6379 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 Amb24056487 [0,1,0,1,0,0|2,0,0]=4 6380 B9R1.82 COC(=O)[C@@H]1C[C@H](C)O1 Amb26885653 [0,1,0,1,0,0|2,0,0]=4 6381 B9R1.88 CCC1CC1C(=O)NO Amb28320567 [0,1,0,1,0,0|2,0,0]=4 6382 B9R1.88 CC[C@@H]1C[C@H]1C(=O)OC Amb27228248 [0,1,0,1,0,0|2,0,0]=4 6383 B9R1.88 COC(=O)C1CC1OC Amb35717357 [0,1,0,1,0,0|1,1,0]=4 6384 B9R1.88 COC1CC1C(=O)NO Amb35725289 [0,1,0,1,0,0|1,1,0]=4 6385 B9R1.135 COC[C@@H]1NC(=O)[C@@H]1O Amb27451137 [0,1,0,1,0,0|0,1,1]=4 6386 B9R1.186 C#CC(=O)C1(N)CCC1 Amb26490631 [0,1,0,1,0,0|2,0,0]=4 6387 B9R1.186 C=CC(=O)C1(N)CCC1 Amb28254899 [0,1,0,1,0,0|2,0,0]=4 6388 B9R1.186 CC1(C(=O)NO)CNC1 Amb27850420 [0,1,0,1,0,0|2,0,0]=4 6389 B9R1.186 CCC(=O)C1(N)CCC1 Amb25724474 [0,1,0,1,0,0|2,0,0]=4 6390 B9R1.186 COC(=O)C1(Br)CCC1 Amb19888941 [0,1,0,1,0,0|2,0,0]=4 6391 B9R1.186 COC(=O)C1(C)CCC1 Amb25769800 [0,1,0,1,0,0|2,0,0]=4 6392 B9R1.186 COC(=O)C1(C)CNC1 Amb23440179 [0,1,0,1,0,0|2,0,0]=4 6393 B9R1.186 COC(=O)C1(C)CNC1 Amb27266219 [0,1,0,1,0,0|2,0,0]=4 6394 B9R1.186 COC(=O)C1(C)COC1 Amb22233680 [0,1,0,1,0,0|1,1,0]=4 6395 B9R1.186 COC(=O)C1(F)CCC1 Amb28456663 [0,1,0,1,0,0|2,0,0]=4 6396 B9R1.186 COC(=O)C1(F)CNC1 Amb23440178 [0,1,0,1,0,0|2,0,0]=4 6397 B9R1.186 COC(=O)C1(F)CNC1 Amb26635445 [0,1,0,1,0,0|2,0,0]=4 6398 B9R1.186 COC(=O)C1(N)CCC1 Amb2694934 [0,1,0,1,0,0|1,0,0]=3 6399 B9R1.186 COC(=O)C1(N)CCC1 Amb8630071 [0,1,0,1,0,0|1,0,0]=3 6400 B9R1.186 COC(=O)C1(N)CNC1 Amb22489791 [0,1,0,1,0,0|1,0,0]=3 6401 B9R1.186 COC(=O)C1(N)CNC1 Amb25281339 [0,1,0,1,0,0|1,0,0]=3 6402 B9R1.186 COC(=O)C1(N)COC1 Amb22406058 [0,1,0,1,0,0|0,1,0]=3 6403 B9R1.186 COC(=O)C1(N)CSC1 Amb28321140 [0,1,0,1,0,0|0,0,0]=2 6404 B9R1.186 COC(=O)C1(O)CCC1 Amb24116780 [0,1,0,1,0,0|2,0,0]=4 6405 B9R1.186 COC(=O)C1(O)CNC1 Amb26934971 [0,1,0,1,0,0|2,0,0]=4 6406 B9R1.186 COC(=O)C1(O)CNC1 Amb32674604 [0,1,0,1,0,0|2,0,0]=4 6407 B9R1.186 COC(=O)C1(O)COC1 Amb35585370 [0,1,0,1,0,0|1,1,0]=4 6408 B9R1.186 COC(=O)C1(O)CSC1 Amb27655731 [0,1,0,1,0,0|1,0,0]=3 6409 B9R1.186 N\C(=N/O)C1(N)CCC1 Amb33033665 [0,1,0,1,0,0|2,0,0]=4 6410 B9R1.186 O=C(NO)C1(F)CCC1 Amb28061828 [0,1,0,1,0,0|2,0,0]=4 6411 B9R1.6 C=C(O)C1CNCCN1 Amb28286928 [0,1,0,1,0,0|2,0,0]=4 6412 B9R1.6 C=C(O)C1CNCCN1 Amb30594212 [0,1,0,1,0,0|2,0,0]=4 6413 B9R1.6 CC(=O)C1CCCCN1 Amb21962174 [0,1,0,1,0,0|2,0,0]=4 6414 B9R1.6 CC(=O)C1CCCCN1 Amb2700057 [0,1,0,1,0,0|2,0,0]=4 6415 B9R1.6 CC(=O)C1CCCNC1 Amb22496258 [0,1,0,1,0,0|2,0,0]=4 6416 B9R1.6 CC(=O)C1CCCNC1 Amb3941186 [0,1,0,1,0,0|2,0,0]=4 6417 B9R1.6 CC(=O)C1CCSCC1 Amb24748894 [0,1,0,1,0,0|2,0,0]=4 6418 B9R1.6 CC(=O)C1COCCN1 Amb24761214 [0,1,0,1,0,0|1,1,0]=4 6419 B9R1.6 CC(=O)C1CSCCN1 Amb25305093 [0,1,0,1,0,0|1,0,0]=3 6420 B9R1.6 CC(=O)[C@@H]1CCCCN1 Amb26891406 [0,1,0,1,0,0|2,0,0]=4 6421 B9R1.6 CC(=O)[C@@H]1CCCCN1 Amb28555630 [0,1,0,1,0,0|2,0,0]=4 6422 B9R1.6 CC(=O)[C@@H]1CCCNC1 Amb33131879 [0,1,0,1,0,0|2,0,0]=4 6423 B9R1.6 CC(=O)[C@H]1CCCCN1 Amb25072730 [0,1,0,1,0,0|2,0,0]=4 6424 B9R1.6 CC(=O)[C@H]1CCCCN1 Amb28935031 [0,1,0,1,0,0|2,0,0]=4 6425 B9R1.6 CC(=O)[C@H]1CCCNC1 Amb33131684 [0,1,0,1,0,0|2,0,0]=4 6426 B9R1.6 CC(O)C1CSCCN1 Amb35583306 [0,1,0,1,0,0|1,0,1]=4 6427 B9R1.6 NC(=O)C1CC=CCN1 Amb31030970 [0,1,0,1,0,0|2,0,0]=4 6428 B9R1.6 NC(=O)C1CCCCN1 Amb2370929 [0,1,0,1,0,0|2,0,0]=4 6429 B9R1.6 NC(=O)C1CCCCN1 Amb433771 [0,1,0,1,0,0|2,0,0]=4 6430 B9R1.6 NC(=O)C1CCCNC1 Amb33527502 [0,1,0,1,0,0|2,0,0]=4 6431 B9R1.6 NC(=O)C1CCCNC1 Amb9702850 [0,1,0,1,0,0|2,0,0]=4 6432 B9R1.6 NC(=O)C1CCSCC1 Amb27252383 [0,1,0,1,0,0|2,0,0]=4 6433 B9R1.6 NC(=O)C1CNCCN1 Amb1158016 [0,1,0,1,0,0|2,0,0]=4 6434 B9R1.6 NC(=O)C1COCCN1 Amb22059486 [0,1,0,1,0,0|1,1,0]=4 6435 B9R1.6 NC(=O)C1COCCN1 Amb31308018 [0,1,0,1,0,0|1,1,0]=4 6436 B9R1.6 NC(=O)C1CSCCN1 Amb4004499 [0,1,0,1,0,0|1,0,0]=3 6437 B9R1.6 NC(=O)[C@@H]1CCCCN1 Amb25315367 [0,1,0,1,0,0|2,0,0]=4 6438 B9R1.6 NC(=O)[C@@H]1CCCNC1 Amb25757310 [0,1,0,1,0,0|2,0,0]=4 6439 B9R1.6 NC(=O)[C@@H]1CCCNC1 Amb31204722 [0,1,0,1,0,0|2,0,0]=4 6440 B9R1.6 NC(=O)[C@@H]1CNCCN1 Amb24183728 [0,1,0,1,0,0|2,0,0]=4 6441 B9R1.6 NC(=O)[C@@H]1CSCCN1 Amb27950510 [0,1,0,1,0,0|1,0,0]=3 6442 B9R1.6 NC(=O)[C@H]1CCCCN1 Amb27490731 [0,1,0,1,0,0|2,0,0]=4 6443 B9R1.6 NC(=O)[C@H]1CCCNC1 Amb23401436 [0,1,0,1,0,0|2,0,0]=4 6444 B9R1.6 NC(=O)[C@H]1CCCNC1 Amb23439159 [0,1,0,1,0,0|2,0,0]=4 6445 B9R1.6 NC(=O)[C@H]1CCSCN1 Amb27613173 [0,1,0,1,0,0|1,0,0]=3 6446 B9R1.6 NC(=O)[C@H]1CNCCN1 Amb27355135 [0,1,0,1,0,0|2,0,0]=4 6447 B9R1.6 NC(=O)[C@H]1CNCCN1 Amb8420820 [0,1,0,1,0,0|2,0,0]=4 6448 B9R1.6 NC(=O)[C@H]1COCCN1 Amb27591943 [0,1,0,1,0,0|1,1,0]=4 6449 B9R1.6 NC(=O)[C@H]1COCCN1 Amb27838503 [0,1,0,1,0,0|1,1,0]=4 6450 B9R1.6 O=C(Cl)C1CCSCC1 Amb6572254 [0,1,0,1,0,0|2,0,0]=4 6451 B9R1.6 O=C(O)C1=CCCCN1 Amb23585365 [0,1,0,1,0,0|1,0,1]=4 6452 B9R1.6 O=C(O)C1=CCCSC1 Amb19515066 [0,1,0,1,0,0|1,0,1]=4 6453 B9R1.6 O=C(O)C1=NCCCN1 Amb25379456 [0,1,0,1,0,0|1,0,1]=4 6454 B9R1.6 O=C(O)C1=NNCCC1 Amb18642590 [0,1,0,1,0,0|1,0,1]=4 6455 B9R1.6 O=C(O)C1C=CCCC1 Amb18642396 [0,1,0,1,0,0|2,0,0]=4 6456 B9R1.6 O=C(O)C1C=CCCN1 Amb25145978 [0,1,0,1,0,0|1,0,1]=4 6457 B9R1.6 O=C(O)C1C=CCCN1 Amb35750834 [0,1,0,1,0,0|1,0,1]=4 6458 B9R1.6 O=C(O)C1C=CCNC1 Amb18642497 [0,1,0,1,0,0|1,0,1]=4 6459 B9R1.6 O=C(O)C1C=CCNC1 Amb35747468 [0,1,0,1,0,0|1,0,1]=4 6460 B9R1.6 O=C(O)C1C=CSCN1 Amb26922618 [0,1,0,1,0,0|0,0,1]=3 6461 B9R1.6 O=C(O)C1CC=CCC1 Amb2695197 [0,1,0,1,0,0|2,0,0]=4 6462 B9R1.6 O=C(O)C1CC=CCN1 Amb2698158 [0,1,0,1,0,0|1,0,0]=3 6463 B9R1.6 O=C(O)C1CC=CCO1 Amb18642584 [0,1,0,1,0,0|2,0,0]=4 6464 B9R1.6 O=C(O)C1CCCCC1 Amb2721294 [0,1,0,1,0,0|2,0,0]=4 6465 B9R1.6 O=C(O)C1CCCCN1 Amb6754083 [0,1,0,1,0,0|1,0,0]=3 6466 B9R1.6 O=C(O)C1CCCCN1 Amb9703161 [0,1,0,1,0,0|1,0,0]=3 6467 B9R1.6 O=C(O)C1CCCCO1 Amb2723689 [0,1,0,1,0,0|2,0,0]=4 6468 B9R1.6 O=C(O)C1CCCCS1 Amb18202314 [0,1,0,1,0,0|2,0,0]=4 6469 B9R1.6 O=C(O)C1CCCNC1 Amb6239367 [0,1,0,1,0,0|1,0,0]=3 6470 B9R1.6 O=C(O)C1CCCNC1 Amb9703145 [0,1,0,1,0,0|1,0,0]=3 6471 B9R1.6 O=C(O)C1CCCOC1 Amb1102367 [0,1,0,1,0,0|1,1,0]=4 6472 B9R1.6 O=C(O)C1CCCSC1 Amb33545067 [0,1,0,1,0,0|1,0,0]=3 6473 B9R1.6 O=C(O)C1CCCSS1 Amb24480090 [0,1,0,1,0,0|2,0,0]=4 6474 B9R1.6 O=C(O)C1CCNCC1 Amb2720245 [0,1,0,1,0,0|2,0,0]=4 6475 B9R1.6 O=C(O)C1CCNCC1 Amb932842 [0,1,0,1,0,0|2,0,0]=4 6476 B9R1.6 O=C(O)C1CCOCC1 Amb426862 [0,1,0,1,0,0|1,1,0]=4 6477 B9R1.6 O=C(O)C1CCOCN1 Amb28042897 [0,1,0,1,0,0|0,1,0]=3 6478 B9R1.6 O=C(O)C1CCSCC1 Amb6572253 [0,1,0,1,0,0|1,0,0]=3 6479 B9R1.6 O=C(O)C1CCSCN1 Amb1102215 [0,1,0,1,0,0|0,0,0]=2 6480 B9R1.6 O=C(O)C1CCSCN1 Amb22284134 [0,1,0,1,0,0|0,0,0]=2 6481 B9R1.6 O=C(O)C1CCSSC1 Amb26422767 [0,1,0,1,0,0|1,0,0]=3 6482 B9R1.6 O=C(O)C1CN=CNC1 Amb25146022 [0,1,0,1,0,0|1,0,1]=4 6483 B9R1.6 O=C(O)C1CN=CNC1 Amb28935019 [0,1,0,1,0,0|1,0,1]=4 6484 B9R1.6 O=C(O)C1CNCCN1 Amb22490977 [0,1,0,1,0,0|1,0,0]=3 6485 B9R1.6 O=C(O)C1CNCCN1 Amb2690349 [0,1,0,1,0,0|1,0,0]=3 6486 B9R1.6 O=C(O)C1CNCCN1 Amb2720318 [0,1,0,1,0,0|1,0,0]=3 6487 B9R1.6 O=C(O)C1CNCCO1 Amb16232076 [0,1,0,1,0,0|2,0,0]=4 6488 B9R1.6 O=C(O)C1CNCCO1 Amb2696640 [0,1,0,1,0,0|2,0,0]=4 6489 B9R1.6 O=C(O)C1CNCCS1 Amb8631056 [0,1,0,1,0,0|2,0,0]=4 6490 B9R1.6 O=C(O)C1COCCN1 Amb10607157 [0,1,0,1,0,0|0,1,0]=3 6491 B9R1.6 O=C(O)C1COCCN1 Amb2694767 [0,1,0,1,0,0|0,1,0]=3 6492 B9R1.6 O=C(O)C1COCCO1 Amb5399760 [0,1,0,1,0,0|1,1,0]=4 6493 B9R1.6 O=C(O)C1CSCC=N1 Amb25887246 [0,1,0,1,0,0|0,0,1]=3 6494 B9R1.6 O=C(O)C1CSCCN1 Amb19888398 [0,1,0,1,0,0|0,0,0]=2 6495 B9R1.6 O=C(O)C1CSCCN1 Amb2695006 [0,1,0,1,0,0|0,0,0]=2 6496 B9R1.6 O=C(O)C1CSCCS1 Amb20622962 [0,1,0,1,0,0|1,0,0]=3 6497 B9R1.6 O=C(O)C1C[NH2+]CC[NH2+]1 Amb5722241 [0,1,0,1,0,0|1,0,1]=4 6498 B9R1.6 O=C(O)C1NCCCN1 Amb27473323 [0,1,0,1,0,0|1,0,0]=3 6499 B9R1.6 O=C(O)C1NCCCO1 Amb33193117 [0,1,0,1,0,0|1,0,0]=3 6500 B9R1.6 O=C(O)C1NCCCS1 Amb22899084 [0,1,0,1,0,0|1,0,0]=3 6501 B9R1.6 O=C(O)C1OCCCO1 Amb24715581 [0,1,0,1,0,0|2,0,0]=4 6502 B9R1.6 O=C(O)C1SCCCS1 Amb22167283 [0,1,0,1,0,0|2,0,0]=4 6503 B9R1.6 O=C(O)C1SCSCS1 Amb1233865 [0,1,0,1,0,0|1,0,0]=3 6504 B9R1.6 O=C(O)N1CCSCC1 Amb24099831 [0,1,0,1,0,0|2,0,0]=4 6505 B9R1.6 O=C(O)[C@@H]1CC=CCC1 Amb19131346 [0,1,0,1,0,0|2,0,0]=4 6506 B9R1.6 O=C(O)[C@@H]1CCC=CN1 Amb19888332 [0,1,0,1,0,0|1,0,1]=4 6507 B9R1.6 O=C(O)[C@@H]1CCC=NN1 Amb27468483 [0,1,0,1,0,0|1,0,1]=4 6508 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb2690345 [0,1,0,1,0,0|1,0,0]=3 6509 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb8384272 [0,1,0,1,0,0|1,0,0]=3 6510 B9R1.6 O=C(O)[C@@H]1CCCCO1 Amb22746821 [0,1,0,1,0,0|2,0,0]=4 6511 B9R1.6 O=C(O)[C@@H]1CCCNC1 Amb16232354 [0,1,0,1,0,0|1,0,0]=3 6512 B9R1.6 O=C(O)[C@@H]1CCCNC1 Amb8628966 [0,1,0,1,0,0|1,0,0]=3 6513 B9R1.6 O=C(O)[C@@H]1CCCNN1 Amb30666630 [0,1,0,1,0,0|1,0,0]=3 6514 B9R1.6 O=C(O)[C@@H]1CCCOC1 Amb26885613 [0,1,0,1,0,0|1,1,0]=4 6515 B9R1.6 O=C(O)[C@@H]1CCCSC1 Amb27826589 [0,1,0,1,0,0|1,0,0]=3 6516 B9R1.6 O=C(O)[C@@H]1CNCCN1 Amb6307277 [0,1,0,1,0,0|1,0,0]=3 6517 B9R1.6 O=C(O)[C@@H]1CNCCN1 Amb6307319 [0,1,0,1,0,0|1,0,0]=3 6518 B9R1.6 O=C(O)[C@@H]1CNCCO1 Amb22737231 [0,1,0,1,0,0|2,0,0]=4 6519 B9R1.6 O=C(O)[C@@H]1CNCCO1 Amb8631069 [0,1,0,1,0,0|2,0,0]=4 6520 B9R1.6 O=C(O)[C@@H]1COCCN1 Amb10576585 [0,1,0,1,0,0|0,1,0]=3 6521 B9R1.6 O=C(O)[C@@H]1COCCN1 Amb2696709 [0,1,0,1,0,0|0,1,0]=3 6522 B9R1.6 O=C(O)[C@@H]1COCCO1 Amb23438856 [0,1,0,1,0,0|1,1,0]=4 6523 B9R1.6 O=C(O)[C@@H]1CSCCN1 Amb22386830 [0,1,0,1,0,0|0,0,0]=2 6524 B9R1.6 O=C(O)[C@@H]1CSCCN1 Amb8630483 [0,1,0,1,0,0|0,0,0]=2 6525 B9R1.6 O=C(O)[C@H]1CC=CCC1 Amb17611453 [0,1,0,1,0,0|2,0,0]=4 6526 B9R1.6 O=C(O)[C@H]1CCC=NN1 Amb27596226 [0,1,0,1,0,0|1,0,1]=4 6527 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb2700060 [0,1,0,1,0,0|1,0,0]=3 6528 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb8515100 [0,1,0,1,0,0|1,0,0]=3 6529 B9R1.6 O=C(O)[C@H]1CCCCO1 Amb26865454 [0,1,0,1,0,0|2,0,0]=4 6530 B9R1.6 O=C(O)[C@H]1CCCNC1 Amb8384271 [0,1,0,1,0,0|1,0,0]=3 6531 B9R1.6 O=C(O)[C@H]1CCCNC1 Amb8389307 [0,1,0,1,0,0|1,0,0]=3 6532 B9R1.6 O=C(O)[C@H]1CCCNN1 Amb27154761 [0,1,0,1,0,0|1,0,0]=3 6533 B9R1.6 O=C(O)[C@H]1CCCSC1 Amb27809148 [0,1,0,1,0,0|1,0,0]=3 6534 B9R1.6 O=C(O)[C@H]1CCSCN1 Amb25773953 [0,1,0,1,0,0|0,0,0]=2 6535 B9R1.6 O=C(O)[C@H]1CNCCN1 Amb20241207 [0,1,0,1,0,0|1,0,0]=3 6536 B9R1.6 O=C(O)[C@H]1CNCCN1 Amb2694998 [0,1,0,1,0,0|1,0,0]=3 6537 B9R1.6 O=C(O)[C@H]1CNCCN1 Amb8628465 [0,1,0,1,0,0|1,0,0]=3 6538 B9R1.6 O=C(O)[C@H]1CNCCO1 Amb10067023 [0,1,0,1,0,0|2,0,0]=4 6539 B9R1.6 O=C(O)[C@H]1CNCCO1 Amb22737232 [0,1,0,1,0,0|2,0,0]=4 6540 B9R1.6 O=C(O)[C@H]1COCCN1 Amb16232575 [0,1,0,1,0,0|0,1,0]=3 6541 B9R1.6 O=C(O)[C@H]1COCCN1 Amb2696766 [0,1,0,1,0,0|0,1,0]=3 6542 B9R1.6 O=C(O)[C@H]1COCCO1 Amb26430807 [0,1,0,1,0,0|1,1,0]=4 6543 B9R1.6 O=C(O)[C@H]1CSCCN1 Amb2700568 [0,1,0,1,0,0|0,0,0]=2 6544 B9R1.6 O=[PH](O)C1CCCCN1 Amb28131021 [0,1,0,1,0,0|2,0,0]=4 6545 B9R1.23 CCC1CC(N)C(=O)O1 Amb27647519 [0,1,0,1,0,0|1,0,0]=3 6546 B9R1.23 CCC1CC(O)C(=O)O1 Amb28049114 [0,1,0,1,0,0|2,0,0]=4 6547 B9R1.23 CCC1OC(=O)C(F)S1 Amb27232508 [0,1,0,1,0,0|2,0,0]=4 6548 B9R1.23 CC[C@@H]1C[C@@H](O)C(=O)O1 Amb27472678 [0,1,0,1,0,0|2,0,0]=4 6549 B9R1.23 CC[C@@H]1C[C@H](O)C(=O)O1 Amb27184446 [0,1,0,1,0,0|2,0,0]=4 6550 B9R1.23 CC[C@@H]1OC(=O)[C@@H](F)S1 Amb28123499 [0,1,0,1,0,0|2,0,0]=4 6551 B9R1.23 CC[C@H]1C[C@@H](O)C(=O)O1 Amb27428268 [0,1,0,1,0,0|2,0,0]=4 6552 B9R1.23 CC[C@H]1OC(=O)[C@@H](F)S1 Amb24514953 [0,1,0,1,0,0|2,0,0]=4 6553 B9R1.23 C[C@@H]1C[C@@H](CN)OC1=O Amb27440489 [0,1,0,1,0,0|2,0,0]=4 6554 B9R1.23 C[C@H]1C[C@@H](CO)OC1=O Amb28429767 [0,1,0,1,0,0|2,0,0]=4 6555 B9R1.23 NC1CC(CO)OC1=O Amb18642829 [0,1,0,1,0,0|1,0,0]=3 6556 B9R1.23 NC[C@@H]1C[C@H](N)C(=O)O1 Amb27851651 [0,1,0,1,0,0|1,0,0]=3 6557 B9R1.23 N[C@H]1C[C@@H](CO)OC1=O Amb28059280 [0,1,0,1,0,0|1,0,0]=3 6558 B9R1.23 N[C@H]1C[C@H](CBr)OC1=O Amb27233512 [0,1,0,1,0,0|1,0,0]=3 6559 B9R1.23 O=C1OC(CBr)CC1O Amb27760415 [0,1,0,1,0,0|2,0,0]=4 6560 B9R1.23 O=C1OC(CCl)CC1O Amb27841626 [0,1,0,1,0,0|2,0,0]=4 6561 B9R1.23 O=C1O[C@@H](CO)C[C@@H]1O Amb27783829 [0,1,0,1,0,0|2,0,0]=4 6562 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [0,1,0,1,0,0|2,0,0]=4 6563 B9R1.35 C=C1CNC(C(N)=O)C1 Amb27640101 [0,1,0,1,0,0|2,0,0]=4 6564 B9R1.35 C=C1CN[C@@H](C(=O)O)C1 Amb27795857 [0,1,0,1,0,0|1,0,0]=3 6565 B9R1.35 C=C1CN[C@H](C(=O)O)C1 Amb27400250 [0,1,0,1,0,0|1,0,0]=3 6566 B9R1.35 CC1=CC(C(=O)O)NC1 Amb27751727 [0,1,0,1,0,0|1,0,1]=4 6567 B9R1.35 CC1=CC(C(=O)O)SC1 Amb10809142 [0,1,0,1,0,0|2,0,0]=4 6568 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [0,1,0,1,0,0|1,0,1]=4 6569 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [0,1,0,1,0,0|1,0,1]=4 6570 B9R1.35 CC1=NC(C(=O)O)CO1 Amb20621597 [0,1,0,1,0,0|0,1,1]=4 6571 B9R1.35 CC1=NC(C(=O)O)CS1 Amb18124720 [0,1,0,1,0,0|0,0,1]=3 6572 B9R1.35 CC1=NC(C(=O)[O-])CS1 Amb22734629 [0,1,0,1,0,0|0,0,2]=4 6573 B9R1.35 CC1=NCC(C(=O)O)N1 Amb24599993 [0,1,0,1,0,0|1,0,0]=3 6574 B9R1.35 CC1=NCC(C(=O)O)S1 Amb27958674 [0,1,0,1,0,0|2,0,0]=4 6575 B9R1.35 CC1=NC[C@H](C(=O)O)N1 Amb27827434 [0,1,0,1,0,0|1,0,0]=3 6576 B9R1.35 CC1=NOC(C(=O)O)C1 Amb7088977 [0,1,0,1,0,0|1,0,1]=4 6577 B9R1.35 CC1=NO[C@H](C(=O)O)C1 Amb25189709 [0,1,0,1,0,0|1,0,1]=4 6578 B9R1.35 CC1=N[C@@H](C(=O)O)CS1 Amb32676192 [0,1,0,1,0,0|0,0,1]=3 6579 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [0,1,0,1,0,0|1,0,1]=4 6580 B9R1.35 CC1=N[C@H](C(=O)O)CS1 Amb35648200 [0,1,0,1,0,0|0,0,1]=3 6581 B9R1.35 CC1CC(C(=O)O)CN1 Amb18832566 [0,1,0,1,0,0|1,0,0]=3 6582 B9R1.35 CC1CC(C(=O)O)CO1 Amb25922998 [0,1,0,1,0,0|1,1,0]=4 6583 B9R1.35 CC1CC(C(=O)O)SS1 Amb28385584 [0,1,0,1,0,0|2,0,0]=4 6584 B9R1.35 CC1CC(C(N)=O)CN1 Amb27665690 [0,1,0,1,0,0|2,0,0]=4 6585 B9R1.35 CC1CCC(C(=O)O)C1 Amb18642624 [0,1,0,1,0,0|2,0,0]=4 6586 B9R1.35 CC1CCC(C(=O)O)N1 Amb18832572 [0,1,0,1,0,0|1,0,0]=3 6587 B9R1.35 CC1CCC(C(=O)O)N1 Amb32652343 [0,1,0,1,0,0|1,0,0]=3 6588 B9R1.35 CC1CCC(C(=O)O)O1 Amb17593370 [0,1,0,1,0,0|2,0,0]=4 6589 B9R1.35 CC1CCC(C(=O)O)S1 Amb25719281 [0,1,0,1,0,0|2,0,0]=4 6590 B9R1.35 CC1CC[C@H](C(=O)O)N1 Amb22748252 [0,1,0,1,0,0|1,0,0]=3 6591 B9R1.35 CC1CNC(C(N)=O)C1 Amb27783370 [0,1,0,1,0,0|2,0,0]=4 6592 B9R1.35 CC1CN[C@H](C(=O)O)C1 Amb33756822 [0,1,0,1,0,0|1,0,0]=3 6593 B9R1.35 CC1CN[C@H](C(=O)O)C1 Amb8386516 [0,1,0,1,0,0|1,0,0]=3 6594 B9R1.35 CC1COC(C(=O)O)C1 Amb32679237 [0,1,0,1,0,0|2,0,0]=4 6595 B9R1.35 CC1NC(C(=O)O)CS1 Amb9718451 [0,1,0,1,0,0|0,0,0]=2 6596 B9R1.35 CC1NC(C(N)=O)CS1 Amb28194888 [0,1,0,1,0,0|1,0,0]=3 6597 B9R1.35 CC1N[C@H](C(=O)O)CS1 Amb16203706 [0,1,0,1,0,0|0,0,0]=2 6598 B9R1.35 CN1C=NC(C(=O)O)C1 Amb28934983 [0,1,0,1,0,0|1,0,1]=4 6599 B9R1.35 CN1C=NC(C(=O)O)C1 Amb8393352 [0,1,0,1,0,0|1,0,1]=4 6600 B9R1.35 CN1CCC(C(=O)O)C1 Amb3941190 [0,1,0,1,0,0|2,0,0]=4 6601 B9R1.35 CN1CCC(C(=O)O)C1 Amb9154860 [0,1,0,1,0,0|2,0,0]=4 6602 B9R1.35 CN1CC[C@@H](C(=O)O)C1 Amb22746030 [0,1,0,1,0,0|2,0,0]=4 6603 B9R1.35 CN1CC[C@@H](C(=O)O)C1 Amb22756448 [0,1,0,1,0,0|2,0,0]=4 6604 B9R1.35 CN1CC[C@H](C(=O)O)C1 Amb26635487 [0,1,0,1,0,0|2,0,0]=4 6605 B9R1.35 C[C@@H]1C=N[C@H](C(=O)O)C1 Amb27468755 [0,1,0,1,0,0|1,0,1]=4 6606 B9R1.35 C[C@@H]1CCC(C(=O)O)O1 Amb33423875 [0,1,0,1,0,0|2,0,0]=4 6607 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)C1 Amb28429501 [0,1,0,1,0,0|2,0,0]=4 6608 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Amb31308105 [0,1,0,1,0,0|1,0,0]=3 6609 B9R1.35 C[C@@H]1CC[C@@H](C(N)=O)N1 Amb28456271 [0,1,0,1,0,0|2,0,0]=4 6610 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)C1 Amb10843961 [0,1,0,1,0,0|2,0,0]=4 6611 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb24399449 [0,1,0,1,0,0|1,0,0]=3 6612 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb32652487 [0,1,0,1,0,0|1,0,0]=3 6613 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 Amb22886534 [0,1,0,1,0,0|2,0,0]=4 6614 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 Amb19888348 [0,1,0,1,0,0|1,0,0]=3 6615 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 Amb33812626 [0,1,0,1,0,0|1,0,0]=3 6616 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CO1 Amb27961253 [0,1,0,1,0,0|1,1,0]=4 6617 B9R1.35 C[C@@H]1O[C@H](C(=O)O)CS1 Amb26951854 [0,1,0,1,0,0|1,0,0]=3 6618 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb24598417 [0,1,0,1,0,0|1,0,0]=3 6619 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb35745779 [0,1,0,1,0,0|1,0,0]=3 6620 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 Amb24651587 [0,1,0,1,0,0|2,0,0]=4 6621 B9R1.35 C[C@H]1CC[C@@H](C(N)=O)N1 Amb28059269 [0,1,0,1,0,0|2,0,0]=4 6622 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 Amb33871500 [0,1,0,1,0,0|1,0,0]=3 6623 B9R1.35 C[C@H]1CC[C@H](C(N)=O)N1 Amb27204783 [0,1,0,1,0,0|2,0,0]=4 6624 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 Amb19887682 [0,1,0,1,0,0|1,0,0]=3 6625 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 Amb23439040 [0,1,0,1,0,0|1,0,0]=3 6626 B9R1.35 C[C@H]1N[C@@H](C(=O)O)CS1 Amb28198473 [0,1,0,1,0,0|0,0,0]=2 6627 B9R1.35 C[C@H]1O[C@H](C(=O)O)CS1 Amb27252305 [0,1,0,1,0,0|1,0,0]=3 6628 B9R1.35 NC(=O)C1CC(F)CN1 Amb21963545 [0,1,0,1,0,0|2,0,0]=4 6629 B9R1.35 NC(=O)C1CC(F)CN1 Amb32666337 [0,1,0,1,0,0|2,0,0]=4 6630 B9R1.35 NC(=O)C1CC(O)CN1 Amb1152420 [0,1,0,1,0,0|2,0,0]=4 6631 B9R1.35 NC(=O)C1CC(O)CN1 Amb32668520 [0,1,0,1,0,0|2,0,0]=4 6632 B9R1.35 NC(=O)C1CSC(=O)N1 Amb27595631 [0,1,0,1,0,0|1,0,1]=4 6633 B9R1.35 NC(=O)[C@@H]1CC(F)CN1 Amb22747998 [0,1,0,1,0,0|2,0,0]=4 6634 B9R1.35 NC(=O)[C@@H]1CC(O)CN1 Amb28054059 [0,1,0,1,0,0|2,0,0]=4 6635 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 Amb22745766 [0,1,0,1,0,0|2,0,0]=4 6636 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 Amb22745768 [0,1,0,1,0,0|2,0,0]=4 6637 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 Amb24061354 [0,1,0,1,0,0|2,0,0]=4 6638 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 Amb28985696 [0,1,0,1,0,0|2,0,0]=4 6639 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 Amb10808100 [0,1,0,1,0,0|2,0,0]=4 6640 B9R1.35 NC(=O)[C@@H]1C[C@H](O)CN1 Amb27476480 [0,1,0,1,0,0|2,0,0]=4 6641 B9R1.35 NC(=O)[C@H]1C[C@@H](O)CN1 Amb27628841 [0,1,0,1,0,0|2,0,0]=4 6642 B9R1.35 NC(=O)[C@H]1C[C@H](F)CN1 Amb27205380 [0,1,0,1,0,0|2,0,0]=4 6643 B9R1.35 NC(=O)[C@H]1C[C@H](O)CN1 Amb24586279 [0,1,0,1,0,0|2,0,0]=4 6644 B9R1.35 NC1=NC(C(=O)O)CS1 Amb6566424 [0,1,0,1,0,0|0,0,2]=4 6645 B9R1.35 NC1=N[C@H](C(=O)O)CS1 Amb27976059 [0,1,0,1,0,0|0,0,2]=4 6646 B9R1.35 NC1CCC(C(=O)O)C1 Amb10066880 [0,1,0,1,0,0|2,0,0]=4 6647 B9R1.35 NC1CCC(C(=O)O)C1 Amb2694935 [0,1,0,1,0,0|2,0,0]=4 6648 B9R1.35 NC1CN[C@H](C(=O)O)C1 Amb28145911 [0,1,0,1,0,0|1,0,0]=3 6649 B9R1.35 NC1COC(C(=O)O)C1 Amb18642828 [0,1,0,1,0,0|2,0,0]=4 6650 B9R1.35 NC1CSC(C(=O)O)C1 Amb18831415 [0,1,0,1,0,0|2,0,0]=4 6651 B9R1.35 N[C@@H]1CCC(C(=O)O)C1 Amb27263056 [0,1,0,1,0,0|2,0,0]=4 6652 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 Amb10066881 [0,1,0,1,0,0|2,0,0]=4 6653 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 Amb33801942 [0,1,0,1,0,0|2,0,0]=4 6654 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Amb33801272 [0,1,0,1,0,0|2,0,0]=4 6655 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Amb8516357 [0,1,0,1,0,0|2,0,0]=4 6656 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 Amb19515889 [0,1,0,1,0,0|1,0,0]=3 6657 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 Amb25992752 [0,1,0,1,0,0|1,0,0]=3 6658 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 Amb10070446 [0,1,0,1,0,0|1,0,0]=3 6659 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 Amb10603136 [0,1,0,1,0,0|1,0,0]=3 6660 B9R1.35 N[C@@H]1CO[C@@H](C(=O)O)C1 Amb25691536 [0,1,0,1,0,0|2,0,0]=4 6661 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Amb22746692 [0,1,0,1,0,0|2,0,0]=4 6662 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Amb8516356 [0,1,0,1,0,0|2,0,0]=4 6663 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Amb10066883 [0,1,0,1,0,0|2,0,0]=4 6664 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Amb22756038 [0,1,0,1,0,0|2,0,0]=4 6665 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 Amb27255323 [0,1,0,1,0,0|1,0,0]=3 6666 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Amb10070445 [0,1,0,1,0,0|1,0,0]=3 6667 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Amb10603131 [0,1,0,1,0,0|1,0,0]=3 6668 B9R1.35 N[C@H]1CO[C@H](C(=O)O)C1 Amb24117069 [0,1,0,1,0,0|2,0,0]=4 6669 B9R1.35 O=C(O)C1CC(Cl)CN1 Amb28436107 [0,1,0,1,0,0|1,0,0]=3 6670 B9R1.35 O=C(O)C1CC(F)CN1 Amb10608925 [0,1,0,1,0,0|1,0,0]=3 6671 B9R1.35 O=C(O)C1CC(I)CN1 Amb27467588 [0,1,0,1,0,0|1,0,0]=3 6672 B9R1.35 O=C(O)C1CC(O)CN1 Amb32666298 [0,1,0,1,0,0|1,0,0]=3 6673 B9R1.35 O=C(O)C1CC(O)CN1 Amb33481348 [0,1,0,1,0,0|1,0,0]=3 6674 B9R1.35 O=C(O)C1CC(O)CN1 Amb9702801 [0,1,0,1,0,0|1,0,0]=3 6675 B9R1.35 O=C(O)C1CC(O)CO1 Amb18642869 [0,1,0,1,0,0|2,0,0]=4 6676 B9R1.35 O=C(O)C1CCC(Br)C1 Amb2695404 [0,1,0,1,0,0|2,0,0]=4 6677 B9R1.35 O=C(O)C1CCC(F)C1 Amb22886545 [0,1,0,1,0,0|2,0,0]=4 6678 B9R1.35 O=C(O)C1CCC(I)C1 Amb23456141 [0,1,0,1,0,0|2,0,0]=4 6679 B9R1.35 O=C(O)C1CCC(O)C1 Amb21963572 [0,1,0,1,0,0|2,0,0]=4 6680 B9R1.35 O=C(O)C1CCC(S)C1 Amb27403449 [0,1,0,1,0,0|2,0,0]=4 6681 B9R1.35 O=C(O)C1CSC(=S)N1 Amb7089160 [0,1,0,1,0,0|0,0,1]=3 6682 B9R1.35 O=C(O)C1CSS(=O)C1 Amb27165800 [0,1,0,1,0,0|2,0,0]=4 6683 B9R1.35 O=C(O)C1C[C@H](O)CN1 Amb34913473 [0,1,0,1,0,0|1,0,0]=3 6684 B9R1.35 O=C(O)C1NC(O)CS1 Amb26536906 [0,1,0,1,0,0|2,0,0]=4 6685 B9R1.35 O=C(O)[C@@H]1CC(O)CN1 Amb25743296 [0,1,0,1,0,0|1,0,0]=3 6686 B9R1.35 O=C(O)[C@@H]1CC(S)CN1 Amb28430216 [0,1,0,1,0,0|1,0,0]=3 6687 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [0,1,0,1,0,0|1,0,1]=4 6688 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Amb22746558 [0,1,0,1,0,0|2,0,0]=4 6689 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Amb27784295 [0,1,0,1,0,0|2,0,0]=4 6690 B9R1.35 O=C(O)[C@@H]1CC[C@H](S)C1 Amb26438302 [0,1,0,1,0,0|2,0,0]=4 6691 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 Amb9809722 [0,1,0,1,0,0|0,0,1]=3 6692 B9R1.35 O=C(O)[C@@H]1C[C@@H](Br)CN1 Amb10603132 [0,1,0,1,0,0|1,0,0]=3 6693 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 Amb16232298 [0,1,0,1,0,0|1,0,0]=3 6694 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 Amb8386381 [0,1,0,1,0,0|1,0,0]=3 6695 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 Amb1994991 [0,1,0,1,0,0|1,0,0]=3 6696 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CO1 Amb28287549 [0,1,0,1,0,0|2,0,0]=4 6697 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 Amb22831348 [0,1,0,1,0,0|1,0,0]=3 6698 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 Amb10603137 [0,1,0,1,0,0|1,0,0]=3 6699 B9R1.35 O=C(O)[C@@H]1C[C@H](Cl)CN1 Amb27630657 [0,1,0,1,0,0|1,0,0]=3 6700 B9R1.35 O=C(O)[C@@H]1C[C@H](Cl)CN1 Amb35749342 [0,1,0,1,0,0|1,0,0]=3 6701 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Amb10603139 [0,1,0,1,0,0|1,0,0]=3 6702 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Amb22757085 [0,1,0,1,0,0|1,0,0]=3 6703 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb22748218 [0,1,0,1,0,0|1,0,0]=3 6704 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb8384483 [0,1,0,1,0,0|1,0,0]=3 6705 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb8629987 [0,1,0,1,0,0|1,0,0]=3 6706 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 Amb27783148 [0,1,0,1,0,0|1,0,0]=3 6707 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 Amb28994765 [0,1,0,1,0,0|1,0,0]=3 6708 B9R1.35 O=C(O)[C@H]1CC(F)CN1 Amb27447262 [0,1,0,1,0,0|1,0,0]=3 6709 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Amb26960428 [0,1,0,1,0,0|2,0,0]=4 6710 B9R1.35 O=C(O)[C@H]1CC[C@H](O)N1 Amb27421972 [0,1,0,1,0,0|1,0,0]=3 6711 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Amb10839999 [0,1,0,1,0,0|1,0,0]=3 6712 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Amb33726117 [0,1,0,1,0,0|1,0,0]=3 6713 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 Amb5718663 [0,1,0,1,0,0|1,0,0]=3 6714 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 Amb5719209 [0,1,0,1,0,0|1,0,0]=3 6715 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 Amb10067741 [0,1,0,1,0,0|1,0,0]=3 6716 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 Amb28989995 [0,1,0,1,0,0|1,0,0]=3 6717 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 Amb16230723 [0,1,0,1,0,0|1,0,0]=3 6718 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 Amb8628928 [0,1,0,1,0,0|1,0,0]=3 6719 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [0,1,0,1,0,0|2,0,0]=4 6720 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [0,1,0,1,0,0|1,0,1]=4 6721 B9R1.35 O=C1CC(C(=O)O)NN1 Amb18642739 [0,1,0,1,0,0|2,0,0]=4 6722 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [0,1,0,1,0,0|2,0,0]=4 6723 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [0,1,0,1,0,0|1,0,1]=4 6724 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [0,1,0,1,0,0|2,0,0]=4 6725 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [0,1,0,1,0,0|1,0,1]=4 6726 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [0,1,0,1,0,0|1,0,1]=4 6727 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [0,1,0,1,0,0|2,0,0]=4 6728 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [0,1,0,1,0,0|1,0,1]=4 6729 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [0,1,0,1,0,0|1,0,0]=3 6730 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [0,1,0,1,0,0|1,0,0]=3 6731 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [0,1,0,1,0,0|1,0,0]=3 6732 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [0,1,0,1,0,0|1,0,0]=3 6733 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [0,1,0,1,0,0|2,0,0]=4 6734 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [0,1,0,1,0,0|2,0,0]=4 6735 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [0,1,0,1,0,0|2,0,0]=4 6736 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [0,1,0,1,0,0|2,0,0]=4 6737 B9R1.35 O=C1NC(C(=O)Cl)CS1 Amb28040993 [0,1,0,1,0,0|1,0,1]=4 6738 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [0,1,0,1,0,0|0,1,1]=4 6739 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [0,1,0,1,0,0|0,0,1]=3 6740 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [0,1,0,1,0,0|1,0,1]=4 6741 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [0,1,0,1,0,0|1,0,1]=4 6742 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [0,1,0,1,0,0|1,0,1]=4 6743 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [0,1,0,1,0,0|0,1,1]=4 6744 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [0,1,0,1,0,0|0,0,1]=3 6745 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [0,1,0,1,0,0|0,1,1]=4 6746 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [0,1,0,1,0,0|0,0,1]=3 6747 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [0,1,0,1,0,0|1,0,1]=4 6748 B9R1.40 CC1(C)CCCOC1=O Amb19888333 [0,1,0,1,0,0|2,0,0]=4 6749 B9R1.40 CC1(C)CSCCC1=O Amb26625951 [0,1,0,1,0,0|2,0,0]=4 6750 B9R1.40 CC1(N)CCCNC1=O Amb32410904 [0,1,0,1,0,0|2,0,0]=4 6751 B9R1.40 CC1(O)CCSCC1N Amb32944498 [0,1,0,1,0,0|1,0,1]=4 6752 B9R1.40 C[C@]1(N)CCCNC1=O Amb28285706 [0,1,0,1,0,0|2,0,0]=4 6753 B9R1.95 CCC1CC(C(=O)O)C1 Amb23456004 [0,1,0,1,0,0|2,0,0]=4 6754 B9R1.95 CCN1CC(C(=O)O)C1 Amb24117130 [0,1,0,1,0,0|2,0,0]=4 6755 B9R1.95 CNC1CC(C(=O)O)C1 Amb20622656 [0,1,0,1,0,0|2,0,0]=4 6756 B9R1.95 CNC1CC(C(=O)O)C1 Amb32668940 [0,1,0,1,0,0|2,0,0]=4 6757 B9R1.95 CN[C@H]1C[C@@H](C(=O)O)C1 Amb28903920 [0,1,0,1,0,0|2,0,0]=4 6758 B9R1.95 CN[C@H]1C[C@@H](C(=O)O)C1 Amb32667482 [0,1,0,1,0,0|2,0,0]=4 6759 B9R1.95 COC1CC(C(=O)O)C1 Amb8011538 [0,1,0,1,0,0|1,1,0]=4 6760 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 Amb23440276 [0,1,0,1,0,0|1,1,0]=4 6761 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 Amb23440277 [0,1,0,1,0,0|1,1,0]=4 6762 B9R1.95 NCC1CC(C(=O)O)C1 Amb26631130 [0,1,0,1,0,0|2,0,0]=4 6763 B9R1.95 NCC1CC(C(=O)O)C1 Amb31307793 [0,1,0,1,0,0|2,0,0]=4 6764 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 Amb34136858 [0,1,0,1,0,0|2,0,0]=4 6765 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 Amb34148892 [0,1,0,1,0,0|2,0,0]=4 6766 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 Amb33715808 [0,1,0,1,0,0|2,0,0]=4 6767 B9R1.95 O=C(O)C1CC(CBr)C1 Amb19958667 [0,1,0,1,0,0|2,0,0]=4 6768 B9R1.95 O=C(O)C1CC(CF)C1 Amb27186059 [0,1,0,1,0,0|2,0,0]=4 6769 B9R1.95 O=C(O)C1CC(CO)C1 Amb22002175 [0,1,0,1,0,0|2,0,0]=4 6770 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 Amb34162163 [0,1,0,1,0,0|2,0,0]=4 6771 B9R1.112 CC(=O)C(N)CC1CC1 Amb33132583 [0,1,0,1,0,0|2,0,0]=4 6772 B9R1.112 CC(CC1CC1)C(=O)O Amb28075498 [0,1,0,1,0,0|2,0,0]=4 6773 B9R1.112 CC(NC1CC1)C(=O)O Amb9620653 [0,1,0,1,0,0|2,0,0]=4 6774 B9R1.112 CC(OC1CC1)C(=O)O Amb27667232 [0,1,0,1,0,0|2,0,0]=4 6775 B9R1.112 C[C@@H](CC1CC1)C(=O)O Amb10844014 [0,1,0,1,0,0|2,0,0]=4 6776 B9R1.112 C[C@@H](NC1CC1)C(=O)O Amb24398132 [0,1,0,1,0,0|2,0,0]=4 6777 B9R1.112 C[C@H](CC1CC1)C(=O)O Amb33749387 [0,1,0,1,0,0|2,0,0]=4 6778 B9R1.112 NC(=O)C(N)CC1CC1 Amb25767604 [0,1,0,1,0,0|2,0,0]=4 6779 B9R1.112 NC(=O)C(N)CC1CC1 Amb34199787 [0,1,0,1,0,0|2,0,0]=4 6780 B9R1.112 NC(CC1CC1)C(=O)O Amb23399727 [0,1,0,1,0,0|1,0,0]=3 6781 B9R1.112 NC(CC1CC1)C(=O)O Amb4019455 [0,1,0,1,0,0|1,0,0]=3 6782 B9R1.112 N[C@@H](CC1CC1)C(=O)O Amb24329024 [0,1,0,1,0,0|1,0,0]=3 6783 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O Amb28252257 [0,1,0,1,0,0|0,1,0]=3 6784 B9R1.112 N[C@H](CC1CC1)C(=O)O Amb2699114 [0,1,0,1,0,0|1,0,0]=3 6785 B9R1.112 O=C(O)C(F)CC1CC1 Amb27838541 [0,1,0,1,0,0|2,0,0]=4 6786 B9R1.112 O=C(O)C(O)CC1CC1 Amb25082516 [0,1,0,1,0,0|2,0,0]=4 6787 B9R1.112 O=C(O)C(S)CC1CC1 Amb18296302 [0,1,0,1,0,0|2,0,0]=4 6788 B9R1.112 O=C(O)[C@@H](O)CC1CC1 Amb23401512 [0,1,0,1,0,0|2,0,0]=4 6789 B9R1.112 O=C(O)[C@H](O)CC1CC1 Amb26014645 [0,1,0,1,0,0|2,0,0]=4 6790 B9R1.163 CC(=O)C1(C)CCCN1 Amb25789427 [0,1,0,1,0,0|2,0,0]=4 6791 B9R1.163 CC(=O)C1(N)CCCC1 Amb1091405 [0,1,0,1,0,0|2,0,0]=4 6792 B9R1.163 CC(=O)C1(N)CCCC1 Amb22283948 [0,1,0,1,0,0|2,0,0]=4 6793 B9R1.163 CC(=O)C1(N)CCOC1 Amb24427660 [0,1,0,1,0,0|1,1,0]=4 6794 B9R1.163 CC(=O)[C@@]1(C)CCCN1 Amb33307927 [0,1,0,1,0,0|2,0,0]=4 6795 B9R1.163 CC(=O)[C@]1(C)CCCN1 Amb33307921 [0,1,0,1,0,0|2,0,0]=4 6796 B9R1.163 CC1(C(=O)O)CC=CC1 Amb27882689 [0,1,0,1,0,0|2,0,0]=4 6797 B9R1.163 CC1(C(=O)O)CCCC1 Amb482493 [0,1,0,1,0,0|2,0,0]=4 6798 B9R1.163 CC1(C(=O)O)CCCN1 Amb15701407 [0,1,0,1,0,0|1,0,0]=3 6799 B9R1.163 CC1(C(=O)O)CCCN1 Amb22587331 [0,1,0,1,0,0|1,0,0]=3 6800 B9R1.163 CC1(C(=O)O)CCCO1 Amb1088877 [0,1,0,1,0,0|2,0,0]=4 6801 B9R1.163 CC1(C(=O)O)CCCS1 Amb20623191 [0,1,0,1,0,0|2,0,0]=4 6802 B9R1.163 CC1(C(=O)O)CCNC1 Amb20634439 [0,1,0,1,0,0|2,0,0]=4 6803 B9R1.163 CC1(C(=O)O)CCNC1 Amb2683246 [0,1,0,1,0,0|2,0,0]=4 6804 B9R1.163 CC1(C(=O)O)CCOC1 Amb18280535 [0,1,0,1,0,0|1,1,0]=4 6805 B9R1.163 CC1(C(=O)O)CCSC1 Amb27782020 [0,1,0,1,0,0|1,0,0]=3 6806 B9R1.163 CC1(C(=O)O)CNCO1 Amb32672096 [0,1,0,1,0,0|2,0,0]=4 6807 B9R1.163 CC1(C(=O)O)NCCS1 Amb27860566 [0,1,0,1,0,0|2,0,0]=4 6808 B9R1.163 CC1(C(N)=O)CCCN1 Amb20061427 [0,1,0,1,0,0|2,0,0]=4 6809 B9R1.163 CC1(C(N)=O)CSSC1 Amb10068414 [0,1,0,1,0,0|2,0,0]=4 6810 B9R1.163 C[C@@]1(C(=O)O)C=CCN1 Amb27883467 [0,1,0,1,0,0|1,0,1]=4 6811 B9R1.163 C[C@@]1(C(=O)O)CCCN1 Amb10603262 [0,1,0,1,0,0|1,0,0]=3 6812 B9R1.163 C[C@@]1(C(=O)O)CCCN1 Amb22405952 [0,1,0,1,0,0|1,0,0]=3 6813 B9R1.163 C[C@@]1(C(=O)O)CCCO1 Amb27600317 [0,1,0,1,0,0|2,0,0]=4 6814 B9R1.163 C[C@@]1(C(=O)O)CCNC1 Amb26869183 [0,1,0,1,0,0|2,0,0]=4 6815 B9R1.163 C[C@@]1(C(N)=O)CCCN1 Amb24410858 [0,1,0,1,0,0|2,0,0]=4 6816 B9R1.163 C[C@@]1(C(N)=O)CCCN1 Amb33457642 [0,1,0,1,0,0|2,0,0]=4 6817 B9R1.163 C[C@]1(C(=O)O)CCCN1 Amb22406107 [0,1,0,1,0,0|1,0,0]=3 6818 B9R1.163 C[C@]1(C(=O)O)CCCN1 Amb8630480 [0,1,0,1,0,0|1,0,0]=3 6819 B9R1.163 C[C@]1(C(=O)O)CCCO1 Amb24117235 [0,1,0,1,0,0|2,0,0]=4 6820 B9R1.163 C[C@]1(C(=O)O)CCNC1 Amb24346794 [0,1,0,1,0,0|2,0,0]=4 6821 B9R1.163 C[C@]1(C(N)=O)CCCN1 Amb25146194 [0,1,0,1,0,0|2,0,0]=4 6822 B9R1.163 NC(=O)C1(N)CCCC1 Amb19265774 [0,1,0,1,0,0|2,0,0]=4 6823 B9R1.163 NC(=O)C1(N)CCCC1 Amb8628017 [0,1,0,1,0,0|2,0,0]=4 6824 B9R1.163 NC(=O)C1(N)CCNC1 Amb27874404 [0,1,0,1,0,0|2,0,0]=4 6825 B9R1.163 NC(=O)C1(N)CCOC1 Amb25835775 [0,1,0,1,0,0|1,1,0]=4 6826 B9R1.163 NC(=O)C1(N)CCOC1 Amb32708549 [0,1,0,1,0,0|1,1,0]=4 6827 B9R1.163 NC(=O)C1(N)CCSC1 Amb18279185 [0,1,0,1,0,0|1,0,0]=3 6828 B9R1.163 NC(=O)C1(O)CCSC1 Amb24116837 [0,1,0,1,0,0|2,0,0]=4 6829 B9R1.163 NC1(C(=O)Cl)CCCC1 Amb27236109 [0,1,0,1,0,0|2,0,0]=4 6830 B9R1.163 NC1(C(=O)O)CC=CC1 Amb2683267 [0,1,0,1,0,0|1,0,0]=3 6831 B9R1.163 NC1(C(=O)O)CCCC1 Amb1838882 [0,1,0,1,0,0|1,0,0]=3 6832 B9R1.163 NC1(C(=O)O)CCNC1 Amb8630265 [0,1,0,1,0,0|1,0,0]=3 6833 B9R1.163 NC1(C(=O)O)CCOC1 Amb16232669 [0,1,0,1,0,0|0,1,0]=3 6834 B9R1.163 NC1(C(=O)O)CCOC1 Amb22274600 [0,1,0,1,0,0|0,1,0]=3 6835 B9R1.163 NC1(C(=O)O)CCSC1 Amb9724111 [0,1,0,1,0,0|0,0,0]=2 6836 B9R1.163 NC1(C(=O)O)OCCO1 Amb25887263 [0,1,0,1,0,0|2,0,0]=4 6837 B9R1.163 N[C@@]1(C(=O)O)CCNC1 Amb6893795 [0,1,0,1,0,0|1,0,0]=3 6838 B9R1.163 N[C@@]1(C(=O)O)CCOC1 Amb20241211 [0,1,0,1,0,0|0,1,0]=3 6839 B9R1.163 N[C@@]1(C(=O)O)CCSC1 Amb27972704 [0,1,0,1,0,0|0,0,0]=2 6840 B9R1.163 N[C@]1(C(=O)O)CCNC1 Amb6893796 [0,1,0,1,0,0|1,0,0]=3 6841 B9R1.163 N[C@]1(C(=O)O)CCOC1 Amb20241209 [0,1,0,1,0,0|0,1,0]=3 6842 B9R1.163 O=C(O)C1(Br)CCCC1 Amb17595053 [0,1,0,1,0,0|2,0,0]=4 6843 B9R1.163 O=C(O)C1(Cl)CCCC1 Amb32716554 [0,1,0,1,0,0|2,0,0]=4 6844 B9R1.163 O=C(O)C1(Cl)CCOC1 Amb33127967 [0,1,0,1,0,0|1,1,0]=4 6845 B9R1.163 O=C(O)C1(F)CC=CC1 Amb35789531 [0,1,0,1,0,0|2,0,0]=4 6846 B9R1.163 O=C(O)C1(F)CCCC1 Amb26957187 [0,1,0,1,0,0|2,0,0]=4 6847 B9R1.163 O=C(O)C1(F)CCNC1 Amb24120613 [0,1,0,1,0,0|2,0,0]=4 6848 B9R1.163 O=C(O)C1(F)CCNC1 Amb32992647 [0,1,0,1,0,0|2,0,0]=4 6849 B9R1.163 O=C(O)C1(F)CCOC1 Amb24420228 [0,1,0,1,0,0|1,1,0]=4 6850 B9R1.163 O=C(O)C1(O)CCCC1 Amb1159211 [0,1,0,1,0,0|2,0,0]=4 6851 B9R1.163 O=C(O)C1(O)CCNC1 Amb22500918 [0,1,0,1,0,0|2,0,0]=4 6852 B9R1.163 O=C(O)C1(O)CCNC1 Amb22899772 [0,1,0,1,0,0|2,0,0]=4 6853 B9R1.163 O=C(O)C1(O)CCOC1 Amb26332318 [0,1,0,1,0,0|1,1,0]=4 6854 B9R1.163 O=C(O)C1(O)CCSC1 Amb18944714 [0,1,0,1,0,0|1,0,0]=3 6855 B9R1.163 O=C(O)C1(S)CCCC1 Amb27185727 [0,1,0,1,0,0|2,0,0]=4 6856 B9R1.163 O=C(O)C1(S)CCCN1 Amb28383197 [0,1,0,1,0,0|1,0,0]=3 6857 B9R1.163 O=C(O)[C@@]1(F)CCCN1 Amb22748241 [0,1,0,1,0,0|1,0,0]=3 6858 B9R1.163 O=C(O)[C@@]1(O)CCSC1 Amb28119971 [0,1,0,1,0,0|1,0,0]=3 6859 B9R1.163 O=C(O)[C@]1(F)CCCN1 Amb27216006 [0,1,0,1,0,0|1,0,0]=3 6860 B9R1.163 [NH3+]C1(C(=O)O)CC[NH2+]C1 Amb22583868 [0,1,0,1,0,0|1,0,1]=4 6861 B9R1.152 C=C1CC(C)(C(=O)O)C1 Amb25887446 [0,1,0,1,0,0|2,0,0]=4 6862 B9R1.152 C=C1CC(N)(C(=O)O)C1 Amb34145346 [0,1,0,1,0,0|1,0,0]=3 6863 B9R1.152 C=C1CC(O)(C(=O)O)C1 Amb28201676 [0,1,0,1,0,0|2,0,0]=4 6864 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [0,1,0,1,0,0|2,0,0]=4 6865 B9R1.152 CC1(C(=O)O)CC(Cl)C1 Amb27460159 [0,1,0,1,0,0|2,0,0]=4 6866 B9R1.152 CC1(C(=O)O)CC(F)C1 Amb32906768 [0,1,0,1,0,0|2,0,0]=4 6867 B9R1.152 CC1(C(=O)O)CC(N)C1 Amb25889781 [0,1,0,1,0,0|2,0,0]=4 6868 B9R1.152 CC1(C(=O)O)CC(N)C1 Amb33456976 [0,1,0,1,0,0|2,0,0]=4 6869 B9R1.152 CC1(C(=O)O)CC(O)C1 Amb33361249 [0,1,0,1,0,0|2,0,0]=4 6870 B9R1.152 CC1CC(C)(C(=O)O)C1 Amb23448860 [0,1,0,1,0,0|2,0,0]=4 6871 B9R1.152 CC1CC(N)(C(=O)O)C1 Amb25821754 [0,1,0,1,0,0|1,0,0]=3 6872 B9R1.152 CC1CC(N)(C(=O)O)C1 Amb30585229 [0,1,0,1,0,0|1,0,0]=3 6873 B9R1.152 CC1CC(N)(C(N)=O)C1 Amb27465840 [0,1,0,1,0,0|2,0,0]=4 6874 B9R1.152 CN1CC(C)(C(=O)O)C1 Amb27264651 [0,1,0,1,0,0|2,0,0]=4 6875 B9R1.152 CN1CC(N)(C(=O)O)C1 Amb28312895 [0,1,0,1,0,0|1,0,0]=3 6876 B9R1.152 CN1CC(O)(C(=O)O)C1 Amb28347279 [0,1,0,1,0,0|2,0,0]=4 6877 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 Amb23440223 [0,1,0,1,0,0|2,0,0]=4 6878 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 Amb24730954 [0,1,0,1,0,0|2,0,0]=4 6879 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 Amb23439475 [0,1,0,1,0,0|2,0,0]=4 6880 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 Amb25275111 [0,1,0,1,0,0|2,0,0]=4 6881 B9R1.152 NC(=O)[C@]1(N)C[C@@H](O)C1 Amb33328633 [0,1,0,1,0,0|2,0,0]=4 6882 B9R1.152 NC(=O)[C@]1(N)C[C@@H](O)C1 Amb33328634 [0,1,0,1,0,0|2,0,0]=4 6883 B9R1.152 NC1(C(=O)O)CC(F)C1 Amb26579071 [0,1,0,1,0,0|1,0,0]=3 6884 B9R1.152 NC1(C(=O)O)CC(F)C1 Amb30585191 [0,1,0,1,0,0|1,0,0]=3 6885 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb26585144 [0,1,0,1,0,0|1,0,0]=3 6886 B9R1.152 NC1(C(=O)O)CC(O)C1 Amb28992378 [0,1,0,1,0,0|1,0,0]=3 6887 B9R1.152 NC1CC(F)(C(=O)O)C1 Amb25784332 [0,1,0,1,0,0|2,0,0]=4 6888 B9R1.152 NC1CC(F)(C(=O)O)C1 Amb33484269 [0,1,0,1,0,0|2,0,0]=4 6889 B9R1.152 NC1CC(O)(C(=O)O)C1 Amb27194402 [0,1,0,1,0,0|2,0,0]=4 6890 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 Amb26959446 [0,1,0,1,0,0|1,0,0]=3 6891 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 Amb32655998 [0,1,0,1,0,0|1,0,0]=3 6892 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 Amb22746505 [0,1,0,1,0,0|1,0,0]=3 6893 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb25297893 [0,1,0,1,0,0|1,0,0]=3 6894 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 Amb32679390 [0,1,0,1,0,0|1,0,0]=3 6895 B9R1.152 O=C(O)C1(F)CC(F)C1 Amb34162941 [0,1,0,1,0,0|2,0,0]=4 6896 B9R1.152 O=C(O)C1(F)CC(O)C1 Amb34142466 [0,1,0,1,0,0|2,0,0]=4 6897 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 Amb34912853 [0,1,0,1,0,0|2,0,0]=4 6898 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 Amb34161934 [0,1,0,1,0,0|2,0,0]=4 6899 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 Amb34147022 [0,1,0,1,0,0|2,0,0]=4 6900 B9R1.152 O=C(O)[C@]1(O)C[C@H](O)C1 Amb34136524 [0,1,0,1,0,0|2,0,0]=4 6901 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [0,1,0,1,0,0|2,0,0]=4 6902 B9R1.165 CC(=O)C(C)(N)C1CC1 Amb27468046 [0,1,0,1,0,0|2,0,0]=4 6903 B9R1.165 CC(C)(C(=O)O)C1CC1 Amb33544781 [0,1,0,1,0,0|2,0,0]=4 6904 B9R1.165 CC(Cl)(C(=O)O)C1CC1 Amb27448215 [0,1,0,1,0,0|2,0,0]=4 6905 B9R1.165 CC(F)(C(=O)O)C1CC1 Amb27782191 [0,1,0,1,0,0|2,0,0]=4 6906 B9R1.165 CC(N)(C(=O)O)C1CC1 Amb22492372 [0,1,0,1,0,0|1,0,0]=3 6907 B9R1.165 CC(N)(C(=O)O)C1CC1 Amb33551932 [0,1,0,1,0,0|1,0,0]=3 6908 B9R1.165 CC(N)(C(=O)O)C1CC1 Amb9725301 [0,1,0,1,0,0|1,0,0]=3 6909 B9R1.165 CC(N)(C(N)=O)C1CC1 Amb18949661 [0,1,0,1,0,0|2,0,0]=4 6910 B9R1.165 CC(N)(C(N)=O)C1CC1 Amb19374801 [0,1,0,1,0,0|2,0,0]=4 6911 B9R1.165 CC(O)(C(=O)O)C1CC1 Amb18952003 [0,1,0,1,0,0|2,0,0]=4 6912 B9R1.165 C[C@@](N)(C(=O)O)C1CC1 Amb27975393 [0,1,0,1,0,0|1,0,0]=3 6913 B9R1.165 C[C@@](N)(C(=O)O)[C@@H]1CO1 Amb27215310 [0,1,0,1,0,0|0,1,0]=3 6914 B9R1.165 C[C@@](N)(C(=O)O)[C@H]1CO1 Amb28346272 [0,1,0,1,0,0|0,1,0]=3 6915 B9R1.165 C[C@](N)(C(=O)O)C1CC1 Amb25975990 [0,1,0,1,0,0|1,0,0]=3 6916 B9R1.165 O=C(O)C(F)(F)C1CC1 Amb26390617 [0,1,0,1,0,0|2,0,0]=4 6917 B9R1.179 CCCC1(C(=O)O)CC1 Amb18062273 [0,1,0,1,0,0|2,0,0]=4 6918 B9R1.179 COCC1(C(=O)O)CC1 Amb10608153 [0,1,0,1,0,0|1,1,0]=4 6919 B9R1.179 CSCC1(C(=O)O)CC1 Amb25195907 [0,1,0,1,0,0|1,0,0]=3 6920 B9R1.179 CSCC1(C(C)=O)CC1 Amb33271703 [0,1,0,1,0,0|2,0,0]=4 6921 B9R1.19 CC(C)(O)C1CSCN1 Amb27202115 [0,1,0,1,0,0|1,0,1]=4 6922 B9R1.19 CC(C)(O)[C@@H]1CSCN1 Amb28042654 [0,1,0,1,0,0|1,0,1]=4 6923 B9R1.19 CP(=O)(O)C1CCCN1 Amb27799028 [0,1,0,1,0,0|2,0,0]=4 6924 B9R1.19 O=P(O)(O)C1CCCN1 Amb24479952 [0,1,0,1,0,0|2,0,0]=4 6925 B9R1.19 O=P(O)(O)C1CCCN1 Amb33716526 [0,1,0,1,0,0|2,0,0]=4 6926 B9R1.19 O=P(O)(O)[C@H]1CCCN1 Amb27876707 [0,1,0,1,0,0|2,0,0]=4 6927 B9R1.65 CC1CC1(N)P(=O)(O)O Amb27185735 [0,1,0,1,0,0|2,0,0]=4 6928 B9R1.90 CC[C@@H]1C(=O)N[C@H]1SC Amb27636377 [0,1,0,1,0,0|2,0,0]=4 6929 B9R1.116 CCC(C(=O)O)C1CC1 Amb18832627 [0,1,0,1,0,0|2,0,0]=4 6930 B9R1.116 CNC(C(=O)O)C1CC1 Amb18975569 [0,1,0,1,0,0|1,0,0]=3 6931 B9R1.116 CNC(C(N)=O)C1CC1 Amb18975566 [0,1,0,1,0,0|2,0,0]=4 6932 B9R1.116 COC(C(=O)O)C1CC1 Amb24524177 [0,1,0,1,0,0|2,0,0]=4 6933 B9R1.116 NCC(C(=O)O)C1CC1 Amb26482230 [0,1,0,1,0,0|1,0,0]=3 6934 B9R1.116 NCC(C(N)=O)C1CC1 Amb27642892 [0,1,0,1,0,0|2,0,0]=4 6935 B9R1.116 NOC(C(=O)O)C1CC1 Amb26560827 [0,1,0,1,0,0|1,0,0]=3 6936 B9R1.116 NOC(C(=O)O)C1CC1 Amb32655968 [0,1,0,1,0,0|1,0,0]=3 6937 B9R1.116 O=C(O)C(CF)C1CC1 Amb27816769 [0,1,0,1,0,0|2,0,0]=4 6938 B9R1.116 O=C(O)C(NO)C1CC1 Amb27410795 [0,1,0,1,0,0|1,0,0]=3 6939 B9R1.119 C#CC1(C(=O)O)CCC1 Amb25975068 [0,1,0,1,0,0|2,0,0]=4 6940 B9R1.119 C=CC1(C(=O)O)CCC1 Amb25112500 [0,1,0,1,0,0|2,0,0]=4 6941 B9R1.119 CC(=O)C1(CN)CCC1 Amb25984648 [0,1,0,1,0,0|2,0,0]=4 6942 B9R1.119 CCC1(C(=O)O)CCC1 Amb20622799 [0,1,0,1,0,0|2,0,0]=4 6943 B9R1.119 CCC1(C(=O)O)CNC1 Amb25250552 [0,1,0,1,0,0|2,0,0]=4 6944 B9R1.119 CCC1(C(=O)O)COC1 Amb16233482 [0,1,0,1,0,0|1,1,0]=4 6945 B9R1.119 CCC1(C(=O)O)CSC1 Amb27192075 [0,1,0,1,0,0|1,0,0]=3 6946 B9R1.119 CNC1(C(=O)O)CCC1 Amb18285791 [0,1,0,1,0,0|1,0,0]=3 6947 B9R1.119 CNC1(C(=O)O)CCC1 Amb28895922 [0,1,0,1,0,0|1,0,0]=3 6948 B9R1.119 CNC1(C(=O)O)COC1 Amb25888932 [0,1,0,1,0,0|0,1,0]=3 6949 B9R1.119 CNC1(C(=O)O)COC1 Amb33295337 [0,1,0,1,0,0|0,1,0]=3 6950 B9R1.119 CNC1(C(C)=O)CCC1 Amb25694506 [0,1,0,1,0,0|2,0,0]=4 6951 B9R1.119 CNC1(C(N)=O)CCC1 Amb18523737 [0,1,0,1,0,0|2,0,0]=4 6952 B9R1.119 CNC1(C(N)=O)CNC1 Amb24653151 [0,1,0,1,0,0|2,0,0]=4 6953 B9R1.119 CNC1(C(N)=O)CNC1 Amb33483509 [0,1,0,1,0,0|2,0,0]=4 6954 B9R1.119 CNC1(C(N)=O)CSC1 Amb27202422 [0,1,0,1,0,0|1,0,0]=3 6955 B9R1.119 COC1(C(=O)O)CCC1 Amb23596685 [0,1,0,1,0,0|2,0,0]=4 6956 B9R1.119 COC1(C(=O)O)CNC1 Amb22737546 [0,1,0,1,0,0|2,0,0]=4 6957 B9R1.119 COC1(C(=O)O)CNC1 Amb27217798 [0,1,0,1,0,0|2,0,0]=4 6958 B9R1.119 COC1(C(=O)O)CSC1 Amb27253480 [0,1,0,1,0,0|1,0,0]=3 6959 B9R1.119 CSC1(C(=O)O)CCC1 Amb25721376 [0,1,0,1,0,0|2,0,0]=4 6960 B9R1.119 N#CC1(C(=O)O)CCC1 Amb9677773 [0,1,0,1,0,0|1,0,1]=4 6961 B9R1.119 N#CC1(C(=O)O)COC1 Amb32648347 [0,1,0,1,0,0|0,1,1]=4 6962 B9R1.119 NCC1(C(=O)O)CCC1 Amb18284930 [0,1,0,1,0,0|1,0,0]=3 6963 B9R1.119 NCC1(C(=O)O)CCC1 Amb22371111 [0,1,0,1,0,0|1,0,0]=3 6964 B9R1.119 NCC1(C(=O)O)COC1 Amb33804840 [0,1,0,1,0,0|0,1,0]=3 6965 B9R1.119 NCC1(C(N)=O)CCC1 Amb18908293 [0,1,0,1,0,0|2,0,0]=4 6966 B9R1.119 NCC1(C(N)=O)CSC1 Amb27621956 [0,1,0,1,0,0|1,0,0]=3 6967 B9R1.119 O=C(O)C1(CBr)CCC1 Amb26332547 [0,1,0,1,0,0|2,0,0]=4 6968 B9R1.119 O=C(O)C1(CBr)COC1 Amb26916740 [0,1,0,1,0,0|1,1,0]=4 6969 B9R1.119 O=C(O)C1(CF)CCC1 Amb26609390 [0,1,0,1,0,0|2,0,0]=4 6970 B9R1.119 O=C(O)C1(CF)CNC1 Amb34158350 [0,1,0,1,0,0|2,0,0]=4 6971 B9R1.119 O=C(O)C1(CF)COC1 Amb25212429 [0,1,0,1,0,0|1,1,0]=4 6972 B9R1.119 O=C(O)C1(CI)CCC1 Amb27436444 [0,1,0,1,0,0|2,0,0]=4 6973 B9R1.119 O=C(O)C1(CO)CCC1 Amb20248637 [0,1,0,1,0,0|2,0,0]=4 6974 B9R1.119 O=C(O)C1(CO)CNC1 Amb24622488 [0,1,0,1,0,0|2,0,0]=4 6975 B9R1.119 O=C(O)C1(CO)COC1 Amb20668032 [0,1,0,1,0,0|1,1,0]=4 6976 B9R1.119 O=C(O)C1(NO)CCC1 Amb28127460 [0,1,0,1,0,0|1,0,0]=3 6977 B9R1.119 O=CC1(C(=O)O)CCC1 Amb24519608 [0,1,0,1,0,0|2,0,0]=4 6978 B9R1.130 CC1CC1(C#N)C(=O)O Amb28457724 [0,1,0,1,0,0|1,0,1]=4 6979 B9R1.130 CC1CC1(CN)C(=O)O Amb24502348 [0,1,0,1,0,0|1,0,0]=3 6980 B9R1.130 CC1CC1(CN)C(=O)O Amb33747377 [0,1,0,1,0,0|1,0,0]=3 6981 B9R1.130 CC1CC1(CO)C(=O)O Amb27876946 [0,1,0,1,0,0|2,0,0]=4 6982 B9R1.130 CN[C@]1(C(=O)O)C[C@H]1C Amb28347002 [0,1,0,1,0,0|1,0,0]=3 6983 B9R1.130 CSC1(C(=O)O)CC1C Amb24540432 [0,1,0,1,0,0|2,0,0]=4 6984 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Amb33734028 [0,1,0,1,0,0|1,0,0]=3 6985 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Amb33742278 [0,1,0,1,0,0|1,0,0]=3 6986 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb18124322 [0,1,0,1,0,0|1,0,0]=3 6987 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb32674857 [0,1,0,1,0,0|1,0,0]=3 6988 B9R1.36 CC1(C)C[C@@H](N)C(=O)O1 Amb28196700 [0,1,0,1,0,0|1,0,0]=3 6989 B9R1.36 CC1(C)C[C@@H](O)C(=O)O1 Amb27472564 [0,1,0,1,0,0|2,0,0]=4 6990 B9R1.36 CC1(C)C[C@H](N)C(=O)O1 Amb24476611 [0,1,0,1,0,0|1,0,0]=3 6991 B9R1.36 CC1(C)C[C@H](O)C(=O)O1 Amb28205922 [0,1,0,1,0,0|2,0,0]=4 6992 B9R1.36 CC1CC(C)(C)OC1=O Amb24444118 [0,1,0,1,0,0|2,0,0]=4 6993 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [0,1,0,1,0,0|2,0,0]=4 6994 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [0,1,0,1,0,0|2,0,0]=4 6995 B9R1.161 CC(C)C1CC1C(=O)O Amb18285139 [0,1,0,1,0,0|2,0,0]=4 6996 B9R1.161 CC(C)[C@@H]1C[C@H]1C(=O)O Amb33360310 [0,1,0,1,0,0|2,0,0]=4 6997 B9R1.161 CC(C)[C@@H]1O[C@H]1C(=O)O Amb28252782 [0,1,0,1,0,0|2,0,0]=4 6998 B9R1.161 CC(N)C1CC1C(=O)O Amb27441985 [0,1,0,1,0,0|2,0,0]=4 6999 B9R1.161 CC(O)C1CC1C(=O)O Amb25888760 [0,1,0,1,0,0|2,0,0]=4 7000 B9R1.161 CC(O)[C@@H]1C[C@@H]1C(=O)O Amb28457538 [0,1,0,1,0,0|2,0,0]=4 7001 B9R1.161 CC(O)[C@@H]1C[C@H]1C(=O)O Amb27489157 [0,1,0,1,0,0|2,0,0]=4 7002 B9R1.164 CC1(C)CC(C(=O)O)C1 Amb33542624 [0,1,0,1,0,0|2,0,0]=4 7003 B9R1.164 CC1(C)CC(C(=O)O)N1 Amb24117447 [0,1,0,1,0,0|1,0,0]=3 7004 B9R1.164 CC1(Cl)CC(C(=O)O)C1 Amb28364447 [0,1,0,1,0,0|2,0,0]=4 7005 B9R1.164 CC1(F)CC(C(=O)O)C1 Amb23439467 [0,1,0,1,0,0|2,0,0]=4 7006 B9R1.164 CC1(O)CC(C(=O)O)C1 Amb33545096 [0,1,0,1,0,0|2,0,0]=4 7007 B9R1.164 C[C@]1(Cl)C[C@@H](C(=O)O)C1 Amb27170444 [0,1,0,1,0,0|2,0,0]=4 7008 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 Amb26394027 [0,1,0,1,0,0|2,0,0]=4 7009 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 Amb28350729 [0,1,0,1,0,0|2,0,0]=4 7010 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 Amb23440037 [0,1,0,1,0,0|2,0,0]=4 7011 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 Amb23440038 [0,1,0,1,0,0|2,0,0]=4 7012 B9R1.169 CC1(Br)CC1(C)C(=O)O Amb27792919 [0,1,0,1,0,0|2,0,0]=4 7013 B9R1.169 CC1(C)CC1(N)C(=O)O Amb35788491 [0,1,0,1,0,0|1,0,0]=3 7014 B9R1.169 CC1(C)CC1(N)C(=O)O Amb4296872 [0,1,0,1,0,0|1,0,0]=3 7015 B9R1.169 CC1(C)C[C@@]1(N)C(=O)O Amb4296946 [0,1,0,1,0,0|1,0,0]=3 7016 B9R1.169 CC1(C)C[C@@]1(N)C(N)=O Amb25887316 [0,1,0,1,0,0|2,0,0]=4 7017 B9R1.169 CC1(C)C[C@]1(N)C(N)=O Amb28254983 [0,1,0,1,0,0|2,0,0]=4 7018 B9R1.169 C[C@]1(Br)C[C@@]1(C)C(=O)O Amb27419957 [0,1,0,1,0,0|2,0,0]=4 7019 B9R1.169 NC1(C(=O)O)CC1(F)F Amb25233043 [0,1,0,1,0,0|2,0,0]=4 7020 B9R1.169 N[C@]1(C(=O)O)CC1(F)F Amb25874004 [0,1,0,1,0,0|2,0,0]=4 7021 B9R2.17 N[C@]12C[C@H]1COC2=O Amb27420696 [0,0,0,2,0,0|1,0,0]=3 7022 B9R2.19 O=C1NCC2CC1N2 Amb27801865 [0,0,0,2,0,0|2,0,0]=4 7023 B9R2.39 O=C1CC2CC1CS2 Amb27199157 [0,0,0,2,0,0|2,0,0]=4 7024 B9R2.39 O=C1CC2CCC1N2 Amb26502233 [0,0,0,2,0,0|2,0,0]=4 7025 B9R2.39 O=C1CC2CNC1C2 Amb26860988 [0,0,0,2,0,0|2,0,0]=4 7026 B9R2.39 O=C1C[C@H]2CC[C@@H]1N2 Amb27421729 [0,0,0,2,0,0|2,0,0]=4 7027 B9R2.39 O=C1NC2CNC1C2 Amb18641690 [0,0,0,2,0,0|2,0,0]=4 7028 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 Amb22587593 [0,0,0,2,0,0|2,0,0]=4 7029 B9R2.39 O=C1OC2CCC1C2 Amb31379084 [0,0,0,2,0,0|2,0,0]=4 7030 B9R2.39 O=C1OC2CNC1C2 Amb15692521 [0,0,0,2,0,0|1,0,0]=3 7031 B9R2.39 O=C1OC2CNC1C2 Amb28934913 [0,0,0,2,0,0|1,0,0]=3 7032 B9R2.39 O=C1OC2CN[C@H]1C2 Amb27637868 [0,0,0,2,0,0|1,0,0]=3 7033 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 Amb19516242 [0,0,0,2,0,0|1,0,0]=3 7034 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 Amb27779719 [0,0,0,2,0,0|1,0,0]=3 7035 B9R2.7 O=C1N[C@@H]2CCN[C@H]12 Amb27796913 [0,0,0,2,0,0|2,0,0]=4 7036 B9R2.7 O=C1O[C@H]2SCCN12 Amb27245733 [0,0,0,2,0,0|2,0,0]=4 7037 B9R2.144 O=C(O)C12CCC1C2 Amb28252733 [0,0,0,2,0,0|2,0,0]=4 7038 B9R2.148 O=C(O)C1C2CCC21 Amb24350799 [0,0,0,2,0,0|2,0,0]=4 7039 B9R2.150 O=C(O)C1CC2CC21 Amb25049722 [0,0,0,2,0,0|2,0,0]=4 7040 B9R2.145 O=C(O)C12CC(C1)C2 Amb22493631 [0,0,0,2,0,0|2,0,0]=4 7041 B9R2.143 O=C(O)C1CC12CC2 Amb8010165 [0,0,0,2,0,0|2,0,0]=4 7042 B9R2.143 O=C(O)[C@@H]1CC12CC2 Amb28071386 [0,0,0,2,0,0|2,0,0]=4 7043 B9R0.48 CCCC(C)C#CC(=O)O Amb27981033 [0,0,0,0,0,2|2,0,0]=4 7044 B9R0.48 CCCC(C)CCC(=O)O Amb28193257 [0,0,0,0,0,2|2,0,0]=4 7045 B9R0.48 CCCC(C)OCC(=O)O Amb18124782 [0,0,0,0,0,2|2,0,0]=4 7046 B9R0.48 CCCC(C)\C=C\C(=O)O Amb33474963 [0,0,0,0,0,2|2,0,0]=4 7047 B9R0.48 CCCC(N)C#CC(=O)O Amb33168957 [0,0,0,0,0,2|1,0,0]=3 7048 B9R0.48 CCCC(N)CCC(=O)O Amb1014101 [0,0,0,0,0,2|1,0,0]=3 7049 B9R0.48 CCCC(O)CCC(=O)O Amb17689110 [0,0,0,0,0,2|2,0,0]=4 7050 B9R0.48 CCCC(O)\C=C\C(=O)O Amb27790698 [0,0,0,0,0,2|2,0,0]=4 7051 B9R0.48 CCC[C@@H](O)CCC(=O)O Amb28050107 [0,0,0,0,0,2|2,0,0]=4 7052 B9R0.48 CCC[C@@H](O)\C=C\C(=O)O Amb27961045 [0,0,0,0,0,2|2,0,0]=4 7053 B9R0.48 CCC[C@H](C)CCC(=O)O Amb24446759 [0,0,0,0,0,2|2,0,0]=4 7054 B9R0.48 CCC[C@H](O)CCC(=O)O Amb27618330 [0,0,0,0,0,2|2,0,0]=4 7055 B9R0.48 CNCC(C)C#CC(=O)O Amb33169001 [0,0,0,0,0,2|2,0,0]=4 7056 B9R0.48 COCC(C)C#CC(=O)O Amb33168980 [0,0,0,0,0,2|1,1,0]=4 7057 B9R0.48 COCC(C)NCC(=O)O Amb33549979 [0,0,0,0,0,2|1,1,0]=4 7058 B9R0.48 COCC(C)NCC(=O)O Amb7766445 [0,0,0,0,0,2|1,1,0]=4 7059 B9R0.48 COCC(C)OCC(=O)O Amb27807862 [0,0,0,0,0,2|1,1,0]=4 7060 B9R0.48 COCC(Cl)CCC(=O)O Amb27456486 [0,0,0,0,0,2|1,1,0]=4 7061 B9R0.48 COCC(N)C#CC(=O)O Amb33168967 [0,0,0,0,0,2|0,1,0]=3 7062 B9R0.48 COCC(N)CCC(=O)O Amb33036364 [0,0,0,0,0,2|0,1,0]=3 7063 B9R0.48 COCC(O)CCC(=O)O Amb33036250 [0,0,0,0,0,2|1,1,0]=4 7064 B9R0.48 CSCC(C)NCC(N)=O Amb27865220 [0,0,0,0,0,2|2,0,0]=4 7065 B9R0.48 CSCC(N)C#CC(=O)O Amb33168963 [0,0,0,0,0,2|0,0,0]=2 7066 B9R0.48 CSCC(N)CCC(=O)O Amb33272065 [0,0,0,0,0,2|0,0,0]=2 7067 B9R0.48 CSCC(O)CCC(=O)O Amb27490998 [0,0,0,0,0,2|1,0,0]=3 7068 B9R0.48 CSSC(C)CCC(=O)O Amb27843301 [0,0,0,0,0,2|2,0,0]=4 7069 B9R0.48 NC(CCF)CCC(=O)O Amb33480872 [0,0,0,0,0,2|2,0,0]=4 7070 B9R0.48 NCCC(N)CCC(=O)O Amb27390542 [0,0,0,0,0,2|2,0,0]=4 7071 B9R0.48 N[C@H](CCS)CCC(=O)O Amb27857300 [0,0,0,0,0,2|2,0,0]=4