0 B9R1.35 N[C@@H]1C=C[C@H](C(O)=O)C1 M10732338P [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10732337P [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10737963P [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,0,0,0,0,0|1,0,2]=3 4 B9R1.35 O=C(C1CN(C)CC1)O M10190927P [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 O=C(C1CN(C)CC1)O M10254714P [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O M10758337P [0,0,0,0,0,0|0,0,0]=0 8 B9R1.35 O=C([C@@H]1NC[C@H](O)C1)O M10467856P [0,0,0,0,0,0|0,0,0]=0 9 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,0,0,0,0,0|2,0,2]=4 10 B8R1.7 CC(C1SCCN1)=O M10425066P [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [1,0,0,0,0,0|2,0,0]=3 12 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [1,0,0,0,0,0|2,0,0]=3 13 B8R1.7 O=C(C1=COCC1)O M10633740P [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 O=C(C1CNCC1)O M10088532P [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 O=C(C1CNCC1)O M10307067P [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [1,0,0,0,0,0|0,0,2]=3 18 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [1,0,0,0,0,0|1,0,0]=2 19 B8R1.7 O=C([C@H]1COCC1)O M10421829P [1,0,0,0,0,0|2,0,0]=3 20 B10R1.14 O=C(C1CC(CC1)=O)OC M10218340P [0,1,0,0,0,0|1,0,2]=4 21 B10R1.14 O=C(C1CC(N)CC1)OC M10142186P [0,1,0,0,0,0|2,0,0]=3 22 B10R1.14 O=C([C@@H]1NC[C@H](O)C1)OC M10695627P [0,1,0,0,0,0|0,0,0]=1 23 B10R1.14 O=C([C@H]1NC[C@@H](O)C1)OC M10241709P [0,1,0,0,0,0|0,0,0]=1 24 B10R1.359 O=C(C1CC(F)(F)CC1)O M10176932P [0,1,0,0,0,0|2,0,0]=3 25 B10R1.359 O=C(C1CCS(C1)(=O)=O)O M10066268P [0,1,0,0,0,0|2,0,1]=4 26 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,0,1,0,0,0|3,0,0]=4 27 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,0,1,0,0,0|3,0,0]=4 28 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,0,1,0,0,0|3,0,0]=4 29 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,0,1,0,0,0|0,0,2]=3 30 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [0,0,1,0,0,0|2,0,0]=3 31 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [0,0,1,0,0,0|2,0,0]=3 32 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O M12276677P [0,0,1,0,0,0|1,0,2]=4 33 B8R0.23 O=C(O)C(S)CC(O)=O M10000758P [0,0,1,0,0,0|2,0,1]=4 34 B8R0.23 O=C(O)[C@@H](N)CS(C)=O M10096739P [0,0,1,0,0,0|1,0,1]=3 35 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [0,0,1,0,0,0|1,0,2]=4 36 B8R0.23 O=C([O-])[C@@H](N)CC(O)=O M10238865P [0,0,1,0,0,0|1,0,2]=4 37 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,0,1,0,0,0|3,0,0]=4 38 B8R0.28 O=C(O)COCC(O)=O M10003764P [0,0,1,0,0,0|2,0,1]=4 39 B10R2.357 O=C([C@H]1N[C@@H]2C[C@@H]2C1)N M10942571P [0,0,0,1,0,0|2,0,0]=3 40 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N M10943489P [0,0,0,1,0,0|2,0,0]=3 41 B8R1.23 CC(N1CC(N)C1)=O M10103229P [0,0,0,0,1,0|3,0,0]=4 42 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,0,0,0,1,0|1,0,0]=2 43 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,0,0,0,1,0|1,0,0]=2 44 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,0,0,0,1,0|0,0,2]=3 45 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,0,0,0,1,0|0,0,0]=1 46 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,0,0,0,1,0|2,0,0]=3 47 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,0,0,0,1,0|0,0,0]=1 48 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,0,0,0,1,0|0,0,0]=1 49 B10R1.13 CC(N1CCC(O)CC1)=O M10059548P [0,0,0,0,0,1|3,0,0]=4 50 B10R1.13 O=C(C1CCC(N)CC1)O M10036114P [0,0,0,0,0,1|2,0,0]=3 51 B10R1.13 O=C(C1CCC(O)CC1)O M10149467P [0,0,0,0,0,1|1,0,0]=2 52 B10R1.13 O=C(C1CCN(C)CC1)O M10432345P [0,0,0,0,0,1|3,0,0]=4 53 B10R1.13 O=C([C@H]1CC[C@H](C)CC1)O M10120307P [0,0,0,0,0,1|2,0,0]=3 54 B10R1.13 O=C([C@H]1CC[C@H](F)CC1)O M10803086P [0,0,0,0,0,1|2,0,0]=3 55 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10056733P [0,0,0,0,0,1|2,0,0]=3 56 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10200307P [0,0,0,0,0,1|2,0,0]=3 57 B10R1.113 O=C(C1CC(NCC1)=O)O M10185359P [0,0,0,0,0,1|1,0,2]=4 58 B10R1.113 O=C(C1CN(C)CCC1)O M10163850P [0,0,0,0,0,1|3,0,0]=4 59 B10R1.113 O=C([C@@H]1NCC[C@@H](C)C1)O M10457687P [0,0,0,0,0,1|1,0,0]=2 60 B7R0.4 CC(CCCCBr)=O M10113189P [1,0,1,0,0,0|2,0,0]=4 61 B7R0.4 CC(O)CNCCN M10004602P [1,0,1,0,0,0|1,0,1]=4 62 B7R0.4 CCCCCC(Cl)=O M10005436P [1,0,1,0,0,0|2,0,0]=4 63 B7R0.4 O=C(O)CCCC#N M10239045P [1,0,1,0,0,0|0,0,2]=4 64 B7R0.4 O=C(O)CCCCO M10123275P [1,0,1,0,0,0|1,0,0]=3 65 B7R0.4 O=C(O)CCOCC M10062024P [1,0,1,0,0,0|2,0,0]=4 66 B7R0.4 O=C(O)CNCCN M10183221P [1,0,1,0,0,0|1,0,0]=3 67 B7R0.4 O=C(O)COCCC M10276951P [1,0,1,0,0,0|1,0,0]=3 68 B7R0.4 O=C([O-])CCCCO M10233260P [1,0,1,0,0,0|1,0,1]=4 69 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [1,0,1,0,0,0|0,0,2]=4 70 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [1,0,1,0,0,0|0,0,2]=4 71 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [1,0,1,0,0,0|0,0,2]=4 72 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,0,1,0,0,0|1,0,0]=3 73 B7R0.5 CCCC(C)C(O)=O M10209692P [1,0,1,0,0,0|1,0,0]=3 74 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [1,0,1,0,0,0|1,0,1]=4 75 B7R0.5 O=C(O)C(Cl)COC M10045189P [1,0,1,0,0,0|2,0,0]=4 76 B7R0.5 O=C(O)C(F)CCN M10193859P [1,0,1,0,0,0|2,0,0]=4 77 B7R0.5 O=C(O)C(N)CCN M10024859P [1,0,1,0,0,0|1,0,0]=3 78 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [1,0,1,0,0,0|1,0,0]=3 79 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [1,0,1,0,0,0|1,0,0]=3 80 B7R0.5 O=C(O)[C@H](N)COC M10505436P [1,0,1,0,0,0|1,0,0]=3 81 B7R0.5 O=C(O)[C@H](N)COC M10505437P [1,0,1,0,0,0|1,0,0]=3 82 B7R0.6 C[S+](CCC(O)=O)C M10062116P [1,0,1,0,0,0|2,0,0]=4 83 B7R0.6 O=C(O)CCN(C)C M10133339P [1,0,1,0,0,0|2,0,0]=4 84 B7R1.1 N#C[C@H]1NCCC1 M10414859P [2,0,0,0,0,0|1,0,1]=4 85 B7R1.1 O=CC1OCCC1 M10109701P [2,0,0,0,0,0|1,0,0]=3 86 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [2,0,0,0,0,0|1,0,1]=4 87 B7R1.2 OC1CC(N)CC1 M10107887P [2,0,0,0,0,0|2,0,0]=4 88 B7R1.2 OC1CC(N)CC1 M10126049P [2,0,0,0,0,0|2,0,0]=4 89 B7R1.2 O[C@@H]1C[C@H](N)CC1 M10095935P [2,0,0,0,0,0|2,0,0]=4 90 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127739P [2,0,0,0,0,0|2,0,0]=4 91 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127951P [2,0,0,0,0,0|2,0,0]=4 92 B9R0.24 O=C(OC)CCC(CN)=O M10475373P [0,1,1,0,0,0|0,0,2]=4 93 B9R0.29 CC[C@H](C)[C@H](NC)C(O)=O M10060277P [0,1,1,0,0,0|1,0,0]=3 94 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(O)=O M10112428P [0,1,1,0,0,0|1,0,0]=3 95 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(O)=O M10512441P [0,1,1,0,0,0|1,0,0]=3 96 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O M10955521P [0,1,1,0,0,0|0,0,0]=2 97 B9R0.79 N[C@@H]([C@@H](C)C(O)C)C(O)=O M10282294P [0,1,1,0,0,0|0,0,0]=2 98 B9R0.53 CC(C)CC(N)CC(O)=O M10056453P [0,1,1,0,0,0|2,0,0]=4 99 B9R1.11 O=C(C1=CCCC1)OC M10190686P [1,1,0,0,0,0|1,0,1]=4 100 B9R1.11 O=C(C1CNCC1)OC M10828155P [1,1,0,0,0,0|2,0,0]=4 101 B9R1.11 O=C(C1OCCC1)OC M10233304P [1,1,0,0,0,0|1,0,0]=3 102 B9R1.41 O=C([C@H]1N(C)CCC1)O M10011652P [1,1,0,0,0,0|0,0,0]=2 103 B9R1.163 O=C([C@@]1(C)NCCC1)O M10249798P [1,1,0,0,0,0|0,0,0]=2 104 B9R1.163 O=C([C@]1(C)NCCC1)O M10392222P [1,1,0,0,0,0|0,0,0]=2 105 B9R1.82 O=C(C1CC(C1)=O)OC M10018683P [0,1,0,0,1,0|0,0,2]=4 106 B9R1.82 O=C(C1CC(Cl)C1)OC M10139679P [0,1,0,0,1,0|1,0,0]=3 107 B9R1.82 O=C(C1CC(O)C1)OC M10067430P [0,1,0,0,1,0|0,0,0]=2 108 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC M10393173P [0,1,0,0,1,0|0,0,0]=2 109 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC M10393174P [0,1,0,0,1,0|0,0,0]=2 110 B11R1.3 O=C(C1CCC(OC)CC1)O M10625307P [0,1,0,0,0,1|1,0,0]=3 111 B11R1.3 O=C([C@H]1CC[C@H](CC)CC1)O M10096559P [0,1,0,0,0,1|2,0,0]=4 112 B11R1.22 O=C(C1CCC(O)CC1)OC M10149669P [0,1,0,0,0,1|1,0,0]=3 113 B11R1.22 O=C([C@H]1CC[C@H](O)CC1)OC M10084042P [0,1,0,0,0,1|1,0,0]=3 114 B11R1.645 O=C(O)CN1C(CC(O)C1)=O M10466772P [0,1,0,0,0,1|2,0,0]=4 115 B11R1.730 O=C(C1CC(C)(C)OCC1)O M10267807P [0,1,0,0,0,1|2,0,0]=4 116 B11R1.175 O=C(C1CC(C(O)=O)CC1)O M10059634P [0,2,0,0,0,0|1,0,0]=3 117 B9R1.6 O=C(C1CCCCC1)O M10002681P [0,0,1,1,0,0|2,0,0]=4 118 B9R1.6 O=C(C1CCCCO1)O M10261099P [0,0,1,1,0,0|2,0,0]=4 119 B9R1.6 O=C(C1COCCC1)O M10012480P [0,0,1,1,0,0|1,0,0]=3 120 B9R1.6 O=C(C1NCCNC1)O M10047414P [0,0,1,1,0,0|1,0,0]=3 121 B9R1.6 O=C(C1NCCSC1)O M10168222P [0,0,1,1,0,0|0,1,0]=3 122 B9R1.6 O=C([C@@H]1NCCNC1)O M10723219P [0,0,1,1,0,0|1,0,0]=3 123 B9R1.6 O=C([C@H]1CNCCC1)O M11020814P [0,0,1,1,0,0|2,0,0]=4 124 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,0,1,0,1,0|0,0,2]=4 125 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [0,0,1,0,1,0|2,0,0]=4 126 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,0,1,0,1,0|2,0,0]=4 127 B7R1.10 OC1CC(NC)C1 M10139149P [1,0,0,0,1,0|2,0,0]=4 128 B7R1.18 N=C(C1CCC1)N M10444128P [1,0,0,0,1,0|2,0,0]=4 129 B7R1.18 O=C(C1NCC1)O M10164146P [1,0,0,0,1,0|0,0,0]=2 130 B7R1.18 O=C(C1OCC1)O M10006194P [1,0,0,0,1,0|1,0,0]=3 131 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [1,0,0,0,1,0|0,0,0]=2 132 B7R1.18 O=C([C@H]1NCC1)O M10875068P [1,0,0,0,1,0|0,0,0]=2 133 B7R1.18 OB(C1CCC1)O M10997879P [1,0,0,0,1,0|1,0,1]=4 134 B9R1.13 O=C(O)CC1COCC1 M10746626P [1,0,0,0,0,1|2,0,0]=4 135 B9R1.13 O=C(O)CC1OCCC1 M10043869P [1,0,0,0,0,1|1,0,0]=3 136 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10330790P [1,0,0,0,0,1|0,0,0]=2 137 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10879019P [1,0,0,0,0,1|0,0,0]=2 138 B9R1.13 O=C(O)C[C@H]1CNCC1 M10715094P [1,0,0,0,0,1|2,0,0]=4 139 B11R1.20 CC(NC1CCC(O)CC1)=O M10179554P [0,0,0,0,0,2|2,0,0]=4