0 B9R1.35 O=C(C1=CC=C(Br)N1)O M10202057P [0,0,0,0,0,0|1,0,3]=4 1 B9R1.35 O=C(C1=CN=C(C)N1)O M10031064P [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,0,0,0,0,0|1,0,0]=1 3 B9R1.35 O=C(C1CN(C)CC1)O M10190927P [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 O=C(C1CN(C)CC1)O M10254714P [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O M10758337P [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C([C@@H]1NC[C@H](O)C1)O M10467856P [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 O=C([C@H]1N=C(N)SC1)O M10145903P [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 O=C1OC[C@H](C(C)C)N1 M10146629P [0,0,0,0,0,0|3,0,1]=4 11 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [1,0,0,0,0,0|0,0,1]=2 12 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [1,0,0,0,0,0|1,0,1]=3 13 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [1,0,0,0,0,0|1,0,1]=3 14 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [1,0,0,0,0,0|0,0,1]=2 15 B8R1.1 O=C1OCC(CO)O1 M10023416P [1,0,0,0,0,0|2,0,1]=4 16 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [1,0,0,0,0,0|1,0,1]=3 17 B8R1.7 CC(C1SCCN1)=O M10425066P [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [1,0,0,0,0,0|2,0,1]=4 19 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [1,0,0,0,0,0|2,0,1]=4 20 B8R1.7 O=C(C1=COCC1)O M10633740P [1,0,0,0,0,0|2,0,1]=4 21 B8R1.7 O=C(C1CNCC1)O M10088532P [1,0,0,0,0,0|2,0,0]=3 22 B8R1.7 O=C(C1CNCC1)O M10307067P [1,0,0,0,0,0|2,0,0]=3 23 B8R1.7 O=C(N1SC=CN1)O M10410181P [1,0,0,0,0,0|2,0,1]=4 24 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [1,0,0,0,0,0|1,0,1]=3 27 B8R1.7 O=C([C@H]1COCC1)O M10421829P [1,0,0,0,0,0|2,0,0]=3 28 B10R1.14 O=C(C1CC(CC1)=O)OC M10218340P [0,1,0,0,0,0|1,0,0]=2 29 B10R1.14 O=C(C1CC(N)CC1)OC M10142186P [0,1,0,0,0,0|2,0,1]=4 30 B10R1.359 O=C(C1CC(F)(F)CC1)O M10176932P [0,1,0,0,0,0|2,0,1]=4 31 B10R1.359 O=C(C1CCS(C1)(=O)=O)O M10066268P [0,1,0,0,0,0|2,0,0]=3 32 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,0,1,0,0,0|2,0,1]=4 33 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,0,1,0,0,0|3,0,0]=4 34 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,0,1,0,0,0|1,0,1]=3 35 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,0,1,0,0,0|1,0,1]=3 36 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,0,1,0,0,0|3,0,0]=4 37 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,0,1,0,0,0|2,0,0]=3 38 B8R0.9 O=C(O)\C=C\C(OC)=O M10047363P [0,0,1,0,0,0|2,0,1]=4 39 B8R0.9 O=C(OC)CCC(Cl)=O M10031630P [0,0,1,0,0,0|3,0,0]=4 40 B8R0.23 C=C(NC(C)=O)C(O)=O M10074141P [0,0,1,0,0,0|0,0,2]=3 41 B8R0.23 O=C(O)C(S)CC(O)=O M10000758P [0,0,1,0,0,0|3,0,0]=4 42 B8R0.23 O=C(O)[C@@H](N)CS(C)=O M10096739P [0,0,1,0,0,0|3,0,0]=4 43 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [0,0,1,0,0,0|3,0,0]=4 44 B8R0.28 O=C(N)CCCC(N)=O M10036487P [0,0,1,0,0,0|1,0,0]=2 45 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,0,1,0,0,0|3,0,0]=4 46 B8R0.28 O=C(O)COCC(O)=O M10003764P [0,0,1,0,0,0|2,0,0]=3 47 B8R0.28 O=C([O-])CNCC([O-])=O M10023295P [0,0,1,0,0,0|2,0,1]=4 48 B8R0.28 [NH2+]=C(N)SCCC(O)=O M10073898P [0,0,1,0,0,0|2,0,0]=3 49 B10R2.357 O=C([C@H]1N[C@@H]2C[C@@H]2C1)N M10942571P [0,0,0,1,0,0|2,0,1]=4 50 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N M10943489P [0,0,0,1,0,0|2,0,1]=4 51 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,0,0,0,1,0|2,0,1]=4 52 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,0,0,0,1,0|2,0,1]=4 53 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,0,0,0,1,0|0,0,0]=1 54 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,0,0,0,1,0|1,0,2]=4 55 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,0,0,0,1,0|3,0,0]=4 56 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,0,0,0,1,0|1,0,2]=4 57 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,0,0,0,1,0|1,0,2]=4 58 B10R1.13 O=C(C1CCC(N)CC1)O M10036114P [0,0,0,0,0,1|2,0,1]=4 59 B10R1.13 O=C(C1CCC(O)CC1)O M10149467P [0,0,0,0,0,1|1,0,2]=4 60 B10R1.13 O=C(C1CCN(C)CC1)O M10432345P [0,0,0,0,0,1|3,0,0]=4 61 B10R1.13 O=C([C@H]1CC[C@H](C)CC1)O M10120307P [0,0,0,0,0,1|2,0,1]=4 62 B10R1.13 O=C([C@H]1CC[C@H](F)CC1)O M10803086P [0,0,0,0,0,1|2,0,1]=4 63 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10056733P [0,0,0,0,0,1|2,0,1]=4 64 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10200307P [0,0,0,0,0,1|2,0,1]=4 65 B10R1.113 O=C(C1=CC=NC(N1)=O)O M10568203P [0,0,0,0,0,1|0,0,3]=4 66 B10R1.113 O=C(C1CC(NCC1)=O)O M10185359P [0,0,0,0,0,1|1,0,0]=2 67 B10R1.113 O=C(C1CN(C)CCC1)O M10163850P [0,0,0,0,0,1|3,0,0]=4 68 B10R1.113 O=C([C@@H]1NCC[C@@H](C)C1)O M10457687P [0,0,0,0,0,1|2,0,1]=4 69 B7R0.3 O=C(OC)CCC=O M10126962P [1,0,1,0,0,0|2,0,0]=4 70 B7R0.4 O=C(O)CCCC#N M10239045P [1,0,1,0,0,0|0,0,2]=4 71 B7R0.4 O=C(O)CCCCO M10123275P [1,0,1,0,0,0|0,0,2]=4 72 B7R0.4 O=C(O)CCOCC M10062024P [1,0,1,0,0,0|2,0,0]=4 73 B7R0.4 O=C(O)CNCCN M10183221P [1,0,1,0,0,0|1,0,1]=4 74 B7R0.4 O=C(O)COCCC M10276951P [1,0,1,0,0,0|1,0,1]=4 75 B7R0.4 O=C([O-])CCCCO M10233260P [1,0,1,0,0,0|1,0,1]=4 76 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [1,0,1,0,0,0|0,0,2]=4 77 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [1,0,1,0,0,0|0,0,1]=3 78 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [1,0,1,0,0,0|0,0,1]=3 79 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,0,1,0,0,0|1,0,1]=4 80 B7R0.5 CCCC(C)C(O)=O M10209692P [1,0,1,0,0,0|1,0,1]=4 81 B7R0.5 O=C(O)C(F)CCN M10193859P [1,0,1,0,0,0|2,0,0]=4 82 B7R0.5 O=C(O)C(N)CCN M10024859P [1,0,1,0,0,0|1,0,0]=3 83 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [1,0,1,0,0,0|1,0,1]=4 84 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [1,0,1,0,0,0|1,0,1]=4 85 B7R0.5 O=C(O)[C@H](N)COC M10505436P [1,0,1,0,0,0|1,0,1]=4 86 B7R0.5 O=C(O)[C@H](N)COC M10505437P [1,0,1,0,0,0|1,0,1]=4 87 B7R0.6 CC(CCC([O-])=O)=O M10183682P [1,0,1,0,0,0|1,0,1]=4 88 B7R0.6 O=C(C)CCC([O-])=O M10015062P [1,0,1,0,0,0|1,0,1]=4 89 B7R1.1 O=CC1OCCC1 M10109701P [2,0,0,0,0,0|1,0,1]=4 90 B7R1.2 O=C1CC(CC1)=O M10058164P [2,0,0,0,0,0|1,0,1]=4 91 B7R1.2 O=C1NC(CC1)=O M10004579P [2,0,0,0,0,0|0,0,1]=3 92 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [2,0,0,0,0,0|2,0,0]=4 93 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [0,1,1,0,0,0|1,0,1]=4 94 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [0,1,1,0,0,0|1,0,1]=4 95 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O M10014819P [0,1,1,0,0,0|0,0,0]=2 96 B9R0.7 N[C@H](CCC(O)=O)C(O)=O M10005213P [0,1,1,0,0,0|0,0,0]=2 97 B9R0.7 O=C(O)CC[C@H](N)C(N)=O M10017277P [0,1,1,0,0,0|1,0,0]=3 98 B9R0.8 O=C(OC)[C@@H](N)CCCN M10242020P [0,1,1,0,0,0|1,0,1]=4 99 B9R0.8 [Zn+]OC([C@@H](N)CCSC)=O M10287809P [0,1,1,0,0,0|2,0,0]=4 100 B9R0.47 O=C(O)[C@@H](N)CCCCN M10073031P [0,1,1,0,0,0|1,0,1]=4 101 B9R0.47 O=C(O)[C@@H](N)CCCCN M10197723P [0,1,1,0,0,0|1,0,1]=4 102 B9R0.24 O=C(OC)CCC(CN)=O M10475373P [0,1,1,0,0,0|2,0,0]=4 103 B9R0.39 O=C(O)[C@@H](NC(C)=O)CS M10016257P [0,1,1,0,0,0|1,0,0]=3 104 B9R0.11 CC(C)(OC(C)=O)C(Br)=O M10243419P [0,1,1,0,0,0|2,0,0]=4 105 B9R0.1 O=C(O)CCCC(OC)=O M10031796P [0,1,1,0,0,0|1,0,0]=3 106 B9R0.56 O=C(CCCS(=O)(N)=O)O M10804559P [0,1,1,0,0,0|1,0,0]=3 107 B9R1.11 O=C(C1CNCC1)OC M10828155P [1,1,0,0,0,0|2,0,0]=4 108 B9R1.11 O=C(C1OCCC1)OC M10233304P [1,1,0,0,0,0|1,0,1]=4 109 B9R1.41 O=C([C@H]1N(C)CCC1)O M10011652P [1,1,0,0,0,0|0,0,1]=3 110 B9R1.163 O=C([C@@]1(C)NCCC1)O M10249798P [1,1,0,0,0,0|0,0,1]=3 111 B9R1.163 O=C([C@]1(C)NCCC1)O M10392222P [1,1,0,0,0,0|0,0,1]=3 112 B9R1.82 O=C(C1CC(C1)=O)OC M10018683P [0,1,0,0,1,0|1,0,0]=3 113 B11R1.15 O=C(N1CC(CC1)=O)OCC M10133793P [0,2,0,0,0,0|2,0,0]=4 114 B11R1.865 O=C([C@H]1CCC(N1C)=O)OC M10715719P [0,2,0,0,0,0|0,0,0]=2 115 B11R1.175 O=C(C1CC(C(O)=O)CC1)O M10059634P [0,2,0,0,0,0|1,0,1]=4 116 B9R1.69 O=C1C(N)CCC(N1)=O M10042789P [0,0,1,1,0,0|1,0,0]=3 117 B9R1.69 O=C1C(N)CCC(N1)=O M11187066P [0,0,1,1,0,0|1,0,0]=3 118 B9R1.93 O=C([C@]1(N)[C@H](C=C)C1)O M10788000P [0,0,1,1,0,0|1,0,0]=3 119 B11R2.139 O=C1NC2NC(NC2N1)=O M10012285P [0,0,0,1,0,1|2,0,0]=4 120 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,0,1,0,1,0|1,0,0]=3 121 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,0,1,0,1,0|1,0,1]=4 122 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [0,0,1,0,1,0|1,0,0]=3 123 B7R0.16 O=C(O)C(O)C(O)=O M10001299P [0,0,1,0,1,0|2,0,0]=4 124 B7R1.10 O=C1CC(CO)C1 M10810765P [1,0,0,0,1,0|1,0,1]=4 125 B7R1.18 O=C(C1NCC1)O M10164146P [1,0,0,0,1,0|0,0,0]=2 126 B7R1.18 O=C(C1OCC1)O M10006194P [1,0,0,0,1,0|1,0,0]=3 127 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [1,0,0,0,1,0|0,0,0]=2 128 B7R1.18 O=C([C@H]1NCC1)O M10875068P [1,0,0,0,1,0|0,0,0]=2 129 B9R0.55 O=C(O)CCCCC(C)=O M10051384P [0,0,1,0,0,1|1,0,0]=3 130 B9R0.55 O=C([O-])CCCCC([O-])=O M10158972P [0,0,1,0,0,1|1,0,1]=4 131 B9R1.13 O=C(O)CC1COCC1 M10746626P [1,0,0,0,0,1|2,0,0]=4 132 B9R1.13 O=C(O)CC1OCCC1 M10043869P [1,0,0,0,0,1|1,0,1]=4 133 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10330790P [1,0,0,0,0,1|0,0,1]=3 134 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10879019P [1,0,0,0,0,1|0,0,1]=3 135 B9R1.13 O=C(O)C[C@H]1CNCC1 M10715094P [1,0,0,0,0,1|2,0,0]=4 136 B11R1.20 CC(OC1CCC(CC1)=O)=O M10244760P [0,0,0,0,0,2|2,0,0]=4