0 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,0,0,0,0,0|1,0,1]=2 3 B7R0.6 O=C(O)CCN(C)C M10133339P [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 O=C(O)\C=C/C(N)=O M10014102P [0,0,0,0,0,0|1,0,2]=3 5 B7R0.6 O=C(O)\C=C/C([O-])=O M10251006P [0,0,0,0,0,0|0,0,3]=3 6 B7R0.6 O=C([O-])C#CC([O-])=O M10023271P [0,0,0,0,0,0|0,0,4]=4 7 B7R0.6 O=C([O-])CCC([O-])=O M10041518P [0,0,0,0,0,0|0,0,2]=2 8 B7R0.6 O=C([O-])CCC([O-])=O M10384426P [0,0,0,0,0,0|0,0,2]=2 9 B7R0.6 O=C([O-])\C=C/C(O)=O M10018448P [0,0,0,0,0,0|0,0,3]=3 10 B6R0.4 C#CCCC(O)=O M10083651P [1,0,0,0,0,0|1,0,1]=3 11 B6R0.4 C=CCCC(Cl)=O M10240332P [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 C=C\C=C\C(O)=O M10016890P [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 CC(C)CCC=O M10027096P [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CC(CCC=C)=O M10003621P [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CC(CCCBr)=O M10058337P [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CC(NCCO)=O M10005418P [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CC(O)CCCO M10016886P [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 CC(OCCO)=O M10013697P [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 O=C(Cl)CCCBr M10023246P [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 O=C(N)NCCO M10039744P [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 O=C(O)CCC#N M10140304P [1,0,0,0,0,0|1,0,1]=3 22 B6R0.4 O=C(O)CCCCl M10016891P [1,0,0,0,0,0|1,0,1]=3 23 B6R0.4 O=C(O)CCOC M10045190P [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 O=C(O)CCSC M10017612P [1,0,0,0,0,0|2,0,0]=3 25 B6R0.4 O=C(O)COCC M10016894P [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 O=C([O-])CNCO M10437440P [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 O=CCC[N+]([O-])=O M10302523P [1,0,0,0,0,0|1,0,1]=3 28 B6R0.4 O=[Sn](CCCC)O M10042008P [1,0,0,0,0,0|2,0,1]=4 29 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,1,0,0,0,0|1,0,0]=2 30 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,1,0,0,0,0|1,0,0]=2 31 B8R0.9 O=C(O)\C=C\C(OC)=O M10047363P [0,1,0,0,0,0|0,0,2]=3 32 B8R0.9 O=C(OC)CCC(Cl)=O M10031630P [0,1,0,0,0,0|1,0,0]=2 33 B8R0.23 C=C(NC(C)=O)C(O)=O M10074141P [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [0,1,0,0,0,0|2,0,1]=4 35 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [0,1,0,0,0,0|2,0,1]=4 36 B8R0.23 CN(CC(O)=O)C(N)=N M10285799P [0,1,0,0,0,0|3,0,0]=4 37 B8R0.23 NC(CC([O-])=O)C([O-])=O M10131058P [0,1,0,0,0,0|0,0,2]=3 38 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O M12276677P [0,1,0,0,0,0|0,0,1]=2 39 B8R0.23 O=C(O)C(S)CC(O)=O M10000758P [0,1,0,0,0,0|0,0,0]=1 40 B8R0.23 O=C(O)CN(C)C(N)=N M10146842P [0,1,0,0,0,0|3,0,0]=4 41 B8R0.23 O=C(O)[C@@H](N)CS(C)=O M10096739P [0,1,0,0,0,0|2,0,0]=3 42 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [0,1,0,0,0,0|0,0,1]=2 43 B8R0.23 O=C([O-])[C@@H](N)CC(O)=O M10238865P [0,1,0,0,0,0|0,0,1]=2 44 B8R0.23 O=C([O-])[C@@H](N)CC([O-])=O M10026968P [0,1,0,0,0,0|0,0,2]=3 45 B8R0.23 O=C([O-])[C@@H](N)CC([O-])=O M10057709P [0,1,0,0,0,0|0,0,2]=3 46 B8R0.29 O=C(O)CCC(F)(F)F M10010362P [0,1,0,0,0,0|2,0,1]=4 47 B8R0.29 O=C(O)CCS(=O)(C)=O M10017606P [0,1,0,0,0,0|1,0,1]=3 48 B8R0.29 O=C(O)CCS(=O)(N)=O M10136857P [0,1,0,0,0,0|1,0,1]=3 49 B8R1.3 O=C1CCC(C)=NN1 M10069197P [0,0,0,1,0,0|3,0,0]=4 50 B8R1.3 O=C1CNC(CN1)=O M10003356P [0,0,0,1,0,0|3,0,0]=4 51 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,0,0,1,0,0|2,0,1]=4 52 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,0,0,1,0,0|2,0,1]=4 53 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,0,0,1,0,0|1,0,0]=2 54 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,0,0,1,0,0|1,0,1]=3 55 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,0,0,1,0,0|3,0,0]=4 56 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,0,0,1,0,0|1,0,1]=3 57 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,0,0,1,0,0|1,0,1]=3 58 B8R1.51 O=C1CCS(C1)(=O)=O M10147341P [0,0,0,1,0,0|2,0,1]=4 59 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [0,0,0,1,0,0|2,0,1]=4 60 B8R1.77 O=C(C1C(F)(F)C1)O M10667522P [0,0,0,1,0,0|2,0,1]=4 61 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [0,0,0,1,0,0|2,0,1]=4 62 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,0,0,1,0|2,0,0]=3 63 B6R0.2 CC(N)CC(O)=O M10187780P [0,0,0,0,1,0|2,0,1]=4 64 B6R0.2 CC(O)CC([O-])=O M10005658P [0,0,0,0,1,0|1,0,2]=4 65 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,0,0,0,1,0|1,0,1]=3 66 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [0,0,0,0,1,0|1,0,2]=4 67 B6R0.2 C[C@H](N)CC(O)=O M10057573P [0,0,0,0,1,0|2,0,1]=4 68 B6R0.2 C[C@H](N)CC(O)=O M10302309P [0,0,0,0,1,0|2,0,1]=4 69 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,0,0,0,1,0|1,0,1]=3 70 B6R0.2 O=C(N)CC(N)=N M10224228P [0,0,0,0,1,0|3,0,0]=4 71 B8R0.28 CC(CCC=C(C)C)=O M10003758P [0,0,0,0,0,1|3,0,0]=4 72 B8R0.28 O=C(N)CCCC(N)=O M10036487P [0,0,0,0,0,1|2,0,0]=3 73 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,0,0,0,0,1|3,0,0]=4 74 B8R0.28 O=C(O)COCC(O)=O M10003764P [0,0,0,0,0,1|0,0,0]=1 75 B8R0.28 O=C([O-])CNCC([O-])=O M10023295P [0,0,0,0,0,1|0,0,2]=3 76 B8R0.28 [NH2+]=C(N)SCCC(O)=O M10073898P [0,0,0,0,0,1|2,0,0]=3 77 B5R0.1 CC(CCCl)=O M10089400P [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 CC(OC=O)=O M10041862P [2,0,0,0,0,0|2,0,0]=4 79 B5R0.1 O=C(O)CCF M10011311P [2,0,0,0,0,0|1,0,0]=3 80 B5R0.1 O=C(O)CCO M10012525P [2,0,0,0,0,0|0,0,0]=2 81 B5R0.1 O=[N+](CCO)[O-] M10016784P [2,0,0,0,0,0|1,0,1]=4 82 B5R0.2 O=CNNC=O M10016977P [2,0,0,0,0,0|2,0,0]=4 83 B7R0.2 O=C(O)CC(O)CN M10190010P [1,1,0,0,0,0|1,0,1]=4 84 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [1,1,0,0,0,0|1,0,1]=4 85 B7R0.3 O=C(OC)CCC=O M10126962P [1,1,0,0,0,0|0,0,0]=2 86 B7R0.3 O=C(OC)CCCN M10119950P [1,1,0,0,0,0|1,0,1]=4 87 B7R0.4 O=C(O)CCCC#N M10239045P [1,1,0,0,0,0|1,0,1]=4 88 B7R0.4 O=C(O)CCCCO M10123275P [1,1,0,0,0,0|0,0,1]=3 89 B7R0.4 O=C(O)CCOCC M10062024P [1,1,0,0,0,0|1,0,1]=4 90 B7R0.4 O=C(O)CNCCN M10183221P [1,1,0,0,0,0|1,0,1]=4 91 B7R0.4 O=C(O)COCCC M10276951P [1,1,0,0,0,0|1,0,1]=4 92 B7R0.4 O=C([O-])CCCCO M10233260P [1,1,0,0,0,0|0,0,2]=4 93 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [1,1,0,0,0,0|1,0,1]=4 94 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [1,1,0,0,0,0|1,0,0]=3 95 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [1,1,0,0,0,0|1,0,0]=3 96 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,1,0,0,0,0|1,0,1]=4 97 B7R0.5 CCCC(C)C(O)=O M10209692P [1,1,0,0,0,0|1,0,1]=4 98 B7R0.5 O=C(O)C(Cl)COC M10045189P [1,1,0,0,0,0|2,0,0]=4 99 B7R0.5 O=C(O)C(F)CCN M10193859P [1,1,0,0,0,0|1,0,1]=4 100 B7R0.5 O=C(O)C(N)CCN M10024859P [1,1,0,0,0,0|1,0,1]=4 101 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [1,1,0,0,0,0|2,0,0]=4 102 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [1,1,0,0,0,0|2,0,0]=4 103 B7R0.5 O=C(O)[C@H](N)COC M10505436P [1,1,0,0,0,0|2,0,0]=4 104 B7R0.5 O=C(O)[C@H](N)COC M10505437P [1,1,0,0,0,0|2,0,0]=4 105 B7R0.9 CC(C)(O)CC(O)=O M10016759P [0,1,0,0,1,0|1,0,1]=4 106 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,1,0,0,1,0|1,0,0]=3 107 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [0,1,0,0,1,0|0,0,0]=2 108 B7R0.16 O=C(O)C(O)C(O)=O M10001299P [0,1,0,0,1,0|0,0,0]=2 109 B9R0.1 O=C(O)CCCC(OC)=O M10031796P [0,1,0,0,0,1|0,0,0]=2 110 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O M10014819P [0,1,0,0,0,1|1,0,0]=3 111 B9R0.7 N[C@H](CCC(O)=O)C(O)=O M10005213P [0,1,0,0,0,1|0,0,0]=2 112 B9R0.7 O=C(O)CC[C@H](N)C(N)=O M10017277P [0,1,0,0,0,1|1,0,0]=3 113 B9R0.56 O=C(CCCS(=O)(N)=O)O M10804559P [0,1,0,0,0,1|1,0,1]=4 114 B9R0.24 O=C(OC)CCC(CN)=O M10475373P [0,2,0,0,0,0|1,0,0]=3 115 B9R0.42 O=C(O)C(CC(OC)=O)=C M10103997P [0,2,0,0,0,0|0,0,1]=3 116 B9R0.39 O=C(O)[C@@H](NC(C)=O)CS M10016257P [0,2,0,0,0,0|2,0,0]=4 117 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O M10955521P [0,2,0,0,0,0|1,0,1]=4 118 B9R0.79 N[C@@H]([C@@H](C)C(O)C)C(O)=O M10282294P [0,2,0,0,0,0|1,0,1]=4 119 B9R0.79 O=C(O)[C@@H](Br)[C@@H](Br)C(O)=O M10015757P [0,2,0,0,0,0|0,0,0]=2 120 B9R0.79 O=C(O)[C@@H](S)[C@@H](S)C(O)=O M11185553P [0,2,0,0,0,0|0,0,0]=2 121 B9R0.79 O[C@@H]([C@@H](C(O)=O)O)C(O)=O M10424657P [0,2,0,0,0,0|0,0,0]=2 122 B9R0.79 O[C@H]([C@H](C(O)=O)O)C(O)=O M10723561P [0,2,0,0,0,0|0,0,0]=2 123 B7R1.2 O=C1CC(CC1)=O M10058164P [1,0,0,1,0,0|1,0,0]=3 124 B7R1.2 O=C1NC(CC1)=O M10004579P [1,0,0,1,0,0|1,0,0]=3 125 B7R1.2 O=C1NCC(O1)=O M10040935P [1,0,0,1,0,0|1,0,0]=3 126 B7R1.2 O=C1OC(C)=CC1 M10015036P [1,0,0,1,0,0|1,0,1]=4 127 B7R1.10 O=C1CC(CO)C1 M10810765P [1,0,0,1,0,0|1,0,1]=4 128 B7R1.18 O=C(C1NCC1)O M10164146P [1,0,0,1,0,0|1,0,1]=4 129 B7R1.18 O=C(C1OCC1)O M10006194P [1,0,0,1,0,0|0,0,1]=3 130 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [1,0,0,1,0,0|1,0,1]=4 131 B7R1.18 O=C([C@H]1NCC1)O M10875068P [1,0,0,1,0,0|1,0,1]=4 132 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,0,0,1,0,1|1,0,0]=3 133 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,0,0,1,0,1|0,0,0]=2 134 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O M10758337P [0,0,0,1,0,1|1,0,1]=4 135 B9R1.35 O=C([C@@H]1NC[C@H](O)C1)O M10467856P [0,0,0,1,0,1|1,0,1]=4 136 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,0,0,1,0,1|0,0,0]=2 137 B9R1.35 O=C([C@H]1N=C(N)SC1)O M10145903P [0,0,0,1,0,1|2,0,0]=4 138 B9R1.53 CC(OC1CC(C1)=O)=O M10397990P [0,0,0,1,0,1|2,0,0]=4 139 B9R1.82 O=C(C1CC(C1)=O)OC M10018683P [0,1,0,1,0,0|1,0,0]=3 140 B9R1.82 O=C(C1CC(O)C1)OC M10067430P [0,1,0,1,0,0|1,0,1]=4 141 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC M10393173P [0,1,0,1,0,0|1,0,1]=4 142 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC M10393174P [0,1,0,1,0,0|1,0,1]=4 143 B5R0.5 C=C(F)C(O)=O M10010638P [0,0,0,0,2,0|2,0,0]=4 144 B5R0.5 C[C@@H](O)C(O)=O M10114112P [0,0,0,0,2,0|1,0,1]=4 145 B5R0.5 O=C(C)C([O-])=O M10204094P [0,0,0,0,2,0|1,0,1]=4 146 B5R0.5 O=C(O)C(O)=O M10094285P [0,0,0,0,2,0|0,0,0]=2 147 B5R0.5 O=C([O-])C([O-])=O M10013989P [0,0,0,0,2,0|0,0,2]=4 148 B5R0.5 O=C([O-])C([O-])=O M10082392P [0,0,0,0,2,0|0,0,2]=4 149 B5R0.5 O=C([O-])C([O-])=O M10193068P [0,0,0,0,2,0|0,0,2]=4 150 B5R0.5 O=C([O-])C([O-])=O M10211923P [0,0,0,0,2,0|0,0,2]=4 151 B5R0.5 O=C([O-])C([O-])=O M10271683P [0,0,0,0,2,0|0,0,2]=4 152 B9R0.55 O=C(O)CCCCC(C)=O M10051384P [0,0,0,0,0,2|1,0,0]=3 153 B9R0.55 O=C(O)\C=C\C=C\C(O)=O M10190197P [0,0,0,0,0,2|0,0,2]=4 154 B9R0.55 O=C([O-])CCCCC([O-])=O M10158972P [0,0,0,0,0,2|0,0,2]=4