0 B8R0.2 CCC(C)C(C([O-])=O)=O M10422004P [0,0,0,0,0,0|1,0,2]=3 1 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [0,0,0,0,0,0|1,0,0]=1 3 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO M10954945P [0,0,0,0,0,0|3,0,1]=4 4 B7R0.2 CC(N)CC(C)CC M10003248P [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 O=C(Cl)OC(C)CC M10149751P [1,0,0,0,0,0|2,0,0]=3 6 B7R0.2 O=C(O)CC(O)CN M10190010P [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [1,0,0,0,0,0|2,0,0]=3 8 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [1,0,0,0,0,0|0,0,2]=3 9 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [1,0,0,0,0,0|0,0,2]=3 10 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [1,0,0,0,0,0|0,0,2]=3 11 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,0,0,0,0,0|2,0,1]=4 12 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,0,0,0,0,0|1,0,0]=2 13 B7R0.5 CCCC(C)C(O)=O M10209692P [1,0,0,0,0,0|1,0,0]=2 14 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [1,0,0,0,0,0|1,0,2]=4 15 B7R0.5 O=C(O)C(Cl)COC M10045189P [1,0,0,0,0,0|2,0,0]=3 16 B7R0.5 O=C(O)C(F)CCN M10193859P [1,0,0,0,0,0|2,0,0]=3 17 B7R0.5 O=C(O)C(N)CCN M10024859P [1,0,0,0,0,0|1,0,0]=2 18 B7R0.5 O=C(O)C(OCC)=O M10016281P [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [1,0,0,0,0,0|1,0,0]=2 20 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [1,0,0,0,0,0|1,0,0]=2 21 B7R0.5 O=C(O)[C@H](N)COC M10505436P [1,0,0,0,0,0|1,0,0]=2 22 B7R0.5 O=C(O)[C@H](N)COC M10505437P [1,0,0,0,0,0|1,0,0]=2 23 B7R0.10 CCC(C)C(C)C=O M10218111P [1,0,0,0,0,0|1,0,0]=2 24 B7R0.10 NCC(C)[C@@H](CO)N M10491820P [1,0,0,0,0,0|1,0,1]=3 25 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [1,0,0,0,0,0|1,0,1]=3 26 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [1,0,0,0,0,0|1,0,1]=3 27 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [1,0,0,0,0,0|1,0,2]=4 28 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [1,0,0,0,0,0|1,0,2]=4 29 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [1,0,0,0,0,0|1,0,0]=2 30 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [1,0,0,0,0,0|1,0,0]=2 31 B7R0.16 O=C(O)C(N(C)C)=O M10218436P [1,0,0,0,0,0|2,0,1]=4 32 B9R0.6 CC(C(N)C(OCC)=O)=O M10164762P [0,1,0,0,0,0|2,0,1]=4 33 B9R0.27 CCC(C(F)C(OC)=O)=O M10808281P [0,1,0,0,0,0|2,0,1]=4 34 B9R0.29 CC[C@H](C)[C@H](NC)C(O)=O M10060277P [0,1,0,0,0,0|0,0,0]=1 35 B9R0.41 CCC(CC)[C@@H](N)C(O)=O M10130394P [0,1,0,0,0,0|0,0,0]=1 36 B9R0.41 CCC(CC)[C@H](N)C(O)=O M10130389P [0,1,0,0,0,0|0,0,0]=1 37 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(O)=O M10112428P [0,1,0,0,0,0|1,0,0]=2 38 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(O)=O M10512441P [0,1,0,0,0,0|1,0,0]=2 39 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O M10955521P [0,1,0,0,0,0|0,0,0]=1 40 B9R0.79 N[C@@H]([C@@H](C)C(O)C)C(O)=O M10282294P [0,1,0,0,0,0|0,0,0]=1 41 B9R1.37 O=C1C(C(C)C(C)C1)=O M10124286P [0,0,0,1,0,0|2,0,1]=4 42 B9R1.41 O=C([C@H]1N(C)CCC1)O M10011652P [0,0,0,1,0,0|2,0,0]=3 43 B9R1.93 O=C([C@]1(N)[C@H](C=C)C1)O M10788000P [0,0,0,1,0,0|0,0,2]=3 44 B6R0.1 C=CC(O)CCC M10066392P [2,0,0,0,0,0|2,0,0]=4 45 B6R0.1 CC(OC)CCO M10044895P [2,0,0,0,0,0|1,0,1]=4 46 B6R0.1 CCCC(C)C=O M10004549P [2,0,0,0,0,0|1,0,0]=3 47 B6R0.1 CCC[C@H](N)CO M10176483P [2,0,0,0,0,0|0,0,1]=3 48 B6R0.2 CC(N)CC(O)=O M10187780P [2,0,0,0,0,0|1,0,0]=3 49 B6R0.2 CC(O)CC([O-])=O M10005658P [2,0,0,0,0,0|1,0,1]=4 50 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [2,0,0,0,0,0|1,0,0]=3 51 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [2,0,0,0,0,0|1,0,1]=4 52 B6R0.2 C[C@H](N)CC(O)=O M10057573P [2,0,0,0,0,0|1,0,0]=3 53 B6R0.2 C[C@H](N)CC(O)=O M10302309P [2,0,0,0,0,0|1,0,0]=3 54 B6R0.2 C[C@H](O)CC(O)=O M10084600P [2,0,0,0,0,0|1,0,0]=3 55 B6R0.2 C[S+](CC([O-])=O)C M10065707P [2,0,0,0,0,0|1,0,1]=4 56 B6R0.2 O=C([O-])CN(C)C M10154757P [2,0,0,0,0,0|1,0,1]=4 57 B6R0.4 C#CCCC(O)=O M10083651P [2,0,0,0,0,0|0,0,2]=4 58 B6R0.4 CC(CCCBr)=O M10058337P [2,0,0,0,0,0|2,0,0]=4 59 B6R0.4 CC\C=C\C(O)=O M10016889P [2,0,0,0,0,0|0,0,2]=4 60 B6R0.4 O=C(Cl)CCCBr M10023246P [2,0,0,0,0,0|2,0,0]=4 61 B6R0.4 O=C(O)CCC#N M10140304P [2,0,0,0,0,0|1,0,1]=4 62 B6R0.4 O=C(O)CCCCl M10016891P [2,0,0,0,0,0|1,0,0]=3 63 B6R0.4 O=C(O)CCOC M10045190P [2,0,0,0,0,0|1,0,0]=3 64 B6R0.4 O=C(O)CCSC M10017612P [2,0,0,0,0,0|1,0,0]=3 65 B6R0.4 O=C(O)COCC M10016894P [2,0,0,0,0,0|1,0,0]=3 66 B6R0.4 O=[Sn](CCCC)O M10042008P [2,0,0,0,0,0|1,0,0]=3 67 B6R0.3 CC(C(S)CC)=O M10426560P [2,0,0,0,0,0|2,0,0]=4 68 B6R0.3 CC(NC)C(O)=O M10015418P [2,0,0,0,0,0|2,0,0]=4 69 B6R0.3 CC(OC)C(O)=O M10062023P [2,0,0,0,0,0|2,0,0]=4 70 B6R0.3 CCC(B(O)O)C M10538835P [2,0,0,0,0,0|2,0,0]=4 71 B6R0.3 CCC(Br)C(Br)=O M10192304P [2,0,0,0,0,0|2,0,0]=4 72 B6R0.3 CCC(C(O)=O)=C M10055842P [2,0,0,0,0,0|1,0,1]=4 73 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [2,0,0,0,0,0|2,0,0]=4 74 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [2,0,0,0,0,0|1,0,0]=3 75 B6R0.3 N[C@H](CS)C(O)=O M10832565P [2,0,0,0,0,0|1,0,0]=3 76 B6R0.3 O=C(O)C(N)CS M10631134P [2,0,0,0,0,0|1,0,0]=3 77 B6R0.3 O=C(O)C(O)CCl M10035208P [2,0,0,0,0,0|2,0,0]=4 78 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [2,0,0,0,0,0|1,0,0]=3 79 B8R0.5 CC(OC(C)=O)COC M10497504P [1,1,0,0,0,0|2,0,0]=4 80 B8R0.19 O=C(OC)CC(O)CCl M10115529P [1,1,0,0,0,0|2,0,0]=4 81 B8R0.19 O=C(OC)C[C@@H](O)CCl M10538831P [1,1,0,0,0,0|2,0,0]=4 82 B8R0.19 O=C(OC)C[C@H](O)CCl M10508237P [1,1,0,0,0,0|2,0,0]=4 83 B8R0.34 CC(CC(SC)(C)C)=O M10180522P [1,1,0,0,0,0|2,0,0]=4 84 B8R0.3 CCCC(Br)C(OC)=O M10159141P [1,1,0,0,0,0|1,0,0]=3 85 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [1,1,0,0,0,0|0,0,0]=2 86 B8R0.3 O=C(OC)C(Br)CCBr M10437848P [1,1,0,0,0,0|2,0,0]=4 87 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [1,1,0,0,0,0|1,0,0]=3 88 B8R0.8 O=C(O)C(O)CCSC M10014771P [1,1,0,0,0,0|1,0,0]=3 89 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [1,1,0,0,0,0|0,0,0]=2 90 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [1,1,0,0,0,0|0,0,0]=2 91 B8R0.8 O=C([O-])C(O)CCSC M10066845P [1,1,0,0,0,0|1,0,1]=4 92 B8R0.12 C=CC[C@@](C)(N)C(O)=O M10630880P [1,1,0,0,0,0|0,0,2]=4 93 B8R0.27 CC(C)(C)[C@@H](N)C(O)=O M10195289P [1,1,0,0,0,0|0,0,0]=2 94 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O M10042100P [1,1,0,0,0,0|0,0,0]=2 95 B8R0.27 CC(C)(O)[C@H](N)C(O)=O M10042094P [1,1,0,0,0,0|0,0,0]=2 96 B8R0.27 N[C@@H](C(C)(C)C)C(N)=O M10458628P [1,1,0,0,0,0|1,0,0]=3 97 B8R0.27 O=C(O)C(N)C(F)(F)F M10628470P [1,1,0,0,0,0|2,0,0]=4 98 B8R0.37 CC(C)C(C)(N)C(N)=O M10244521P [1,1,0,0,0,0|1,0,0]=3 99 B8R0.37 CC(C)[C@@](C)(N)C(O)=O M10273652P [1,1,0,0,0,0|0,0,0]=2 100 B8R0.37 CC(C)[C@](C)(N)C(O)=O M10273653P [1,1,0,0,0,0|0,0,0]=2 101 B10R0.154 CC(C)(C)[C@@H](O)[C@H](N)C(O)=O M10800288P [0,2,0,0,0,0|1,0,0]=3 102 B10R0.38 O=C(OC)C(C)C(OC)OC M10464197P [0,2,0,0,0,0|2,0,0]=4 103 B8R1.1 O=C1NCC(CN)C1 M10938946P [1,0,0,1,0,0|2,0,0]=4 104 B8R1.1 O=C1OCC(CO)O1 M10023416P [1,0,0,1,0,0|2,0,0]=4 105 B8R1.4 O=C1CN(C)CCC1 M10077248P [1,0,0,1,0,0|2,0,0]=4 106 B8R1.4 O=C1NCCC(O)C1 M10882636P [1,0,0,1,0,0|2,0,0]=4 107 B8R1.4 O=C1NCCN(C)C1 M10224934P [1,0,0,1,0,0|2,0,0]=4 108 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [1,0,0,1,0,0|2,0,0]=4 109 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [1,0,0,1,0,0|1,0,0]=3 110 B8R1.5 O=C1C(C)CCCC1 M10014758P [1,0,0,1,0,0|2,0,0]=4 111 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [1,0,0,1,0,0|2,0,0]=4 112 B8R1.5 O=C1C(N)CCCC1 M10098058P [1,0,0,1,0,0|1,0,0]=3 113 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 M10123131P [1,0,0,1,0,0|1,0,1]=4 114 B8R1.5 O[C@H]1[C@@H](N)CCCC1 M10821370P [1,0,0,1,0,0|1,0,1]=4 115 B8R1.5 O[C@H]1[C@H](N)CCCC1 M10123132P [1,0,0,1,0,0|1,0,1]=4 116 B8R1.7 CC(C1SCCN1)=O M10425066P [1,0,0,1,0,0|2,0,0]=4 117 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [1,0,0,1,0,0|2,0,0]=4 118 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [1,0,0,1,0,0|2,0,0]=4 119 B8R1.7 O=C(C1CNCC1)O M10088532P [1,0,0,1,0,0|2,0,0]=4 120 B8R1.7 O=C(C1CNCC1)O M10307067P [1,0,0,1,0,0|2,0,0]=4 121 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [1,0,0,1,0,0|2,0,0]=4 122 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [1,0,0,1,0,0|0,0,2]=4 123 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [1,0,0,1,0,0|1,0,0]=3 124 B8R1.7 O=C([C@H]1COCC1)O M10421829P [1,0,0,1,0,0|2,0,0]=4 125 B8R1.23 O=C(C1CC(C)C1)O M10293834P [1,0,0,1,0,0|1,0,0]=3 126 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [1,0,0,1,0,0|2,0,0]=4 127 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [1,0,0,1,0,0|1,0,1]=4 128 B8R1.23 O=C(C1CC(O)C1)O M10825846P [1,0,0,1,0,0|2,0,0]=4 129 B8R1.23 O=C(C1CN(C)C1)O M11014439P [1,0,0,1,0,0|2,0,0]=4 130 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [1,0,0,1,0,0|2,0,0]=4 131 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [1,0,0,1,0,0|2,0,0]=4 132 B8R1.54 O=C(O)C(C1CC1)=O M10127074P [1,0,0,1,0,0|1,0,1]=4 133 B8R1.78 O=C(C1(N)CCC1)O M10174204P [1,0,0,1,0,0|0,0,0]=2 134 B8R1.78 O=C(C1(N)CCC1)O M10633940P [1,0,0,1,0,0|0,0,0]=2 135 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [1,0,0,1,0,0|1,0,1]=4 136 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [1,0,0,1,0,0|1,0,0]=3 137 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [1,0,0,1,0,0|1,0,0]=3 138 B10R1.113 O=C(C1CN(C)CCC1)O M10163850P [0,0,0,1,0,1|2,0,0]=4 139 B10R1.113 O=C([C@@H]1NCC[C@@H](C)C1)O M10457687P [0,0,0,1,0,1|0,0,0]=2 140 B10R1.34 O[C@@H]1[C@@H]([C@@H](CO)OC1=O)O M10193842P [0,1,0,1,0,0|2,0,0]=4 141 B10R1.61 O=C(C1C(O)CCCC1)O M10015822P [0,1,0,1,0,0|2,0,0]=4 142 B10R1.61 O=C([C@@H]1N(C)CCCC1)O M10245935P [0,1,0,1,0,0|2,0,0]=4 143 B10R1.149 O=C(C1C(O)CCC1)OC M10590550P [0,1,0,1,0,0|2,0,0]=4 144 B10R1.159 O=C([C@]1(N)[C@H](C=C)C1)OC M10847527P [0,1,0,1,0,0|0,0,2]=4 145 B10R1.128 C[N+]1(C)[C@H](C(O)=O)CCC1 M11191474P [0,1,0,1,0,0|2,0,0]=4 146 B10R0.82 O=C(O)[C@@H](N)CC[C@@H](O)CN M12277882P [0,0,0,0,0,2|2,0,0]=4