0 B8R0.9 C=CC(OCC(O)C)=O M10024755P [0,0,0,0,0,0|1,0,2]=3 1 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 C=CC(NCCC)=O M10192147P [1,0,0,0,0,0|1,0,2]=4 3 B7R0.3 O=C(OC)CCCN M10119950P [1,0,0,0,0,0|3,0,0]=4 4 B7R0.3 O=C(OCC=C)CCl M10049025P [1,0,0,0,0,0|1,0,2]=4 5 B7R0.3 O=C(OCCC)CBr M10226573P [1,0,0,0,0,0|1,0,0]=2 6 B7R0.4 CC(N)CCCCC M10004600P [1,0,0,0,0,0|2,0,1]=4 7 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [1,0,0,0,0,0|2,0,1]=4 8 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [1,0,0,0,0,0|2,0,1]=4 9 B7R0.6 C[S+](CCC(O)=O)C M10062116P [1,0,0,0,0,0|3,0,0]=4 10 B7R0.6 O=C(Cl)OCC(C)C M10013714P [1,0,0,0,0,0|1,0,0]=2 11 B7R0.6 O=C(O)CCN(C)C M10133339P [1,0,0,0,0,0|3,0,0]=4 12 B9R0.7 C=C(C)C(OCC(O)C)=O M11208097P [0,1,0,0,0,0|1,0,1]=3 13 B9R0.24 SCC(OCC(CO)O)=O M10210839P [0,1,0,0,0,0|2,0,0]=3 14 B9R0.48 CC(C)CCC(OCC)=O M10189485P [0,1,0,0,0,0|1,0,0]=2 15 B9R0.48 O=C(OCC(C)C)CC#N M10123002P [0,1,0,0,0,0|0,0,1]=2 16 B9R0.48 O=C(OCC)CCN(C)C M10164358P [0,1,0,0,0,0|2,0,0]=3 17 B9R0.48 O=C(OCC)\C=C\N(C)C M10027031P [0,1,0,0,0,0|2,0,1]=4 18 B9R1.10 O=C1C=CC(C)(C)CC1 M10026199P [0,0,0,1,0,0|1,0,1]=3 19 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,0,0,1,0,0|2,0,1]=4 20 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,0,0,1,0,0|2,0,1]=4 21 B9R1.35 O=C1OC[C@H](C(C)C)N1 M10146629P [0,0,0,1,0,0|2,0,0]=3 22 B9R1.82 O=C(C1CC(Cl)C1)OC M10139679P [0,0,0,1,0,0|3,0,0]=4 23 B9R1.82 O=C(C1CC(O)C1)OC M10067430P [0,0,0,1,0,0|3,0,0]=4 24 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC M10393173P [0,0,0,1,0,0|3,0,0]=4 25 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC M10393174P [0,0,0,1,0,0|3,0,0]=4 26 B9R1.138 O=C1OCC(C)(C)[C@@H]1O M10072911P [0,0,0,1,0,0|1,0,0]=2 27 B7R0.2 CC(N)CC(C)CC M10003248P [0,0,0,0,1,0|2,0,1]=4 28 B7R0.2 CC(N)CC(OC)=O M10083532P [0,0,0,0,1,0|2,0,0]=3 29 B7R0.2 CC(O)CC(OC)=O M10031579P [0,0,0,0,1,0|2,0,0]=3 30 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [0,0,0,0,1,0|2,0,0]=3 31 B7R0.2 O=C(NC(C)C)CBr M10460688P [0,0,0,0,1,0|2,0,0]=3 32 B7R0.2 O=C(NC(C)C)CN M10428027P [0,0,0,0,1,0|2,0,0]=3 33 B7R0.2 O=C(OC(C)C)CCl M10003254P [0,0,0,0,1,0|1,0,0]=2 34 B7R0.2 OCC(OC(C)C)=O M10016659P [0,0,0,0,1,0|1,0,0]=2 35 B9R0.1 C=CC(OCCN(C)C)=O M10043973P [0,0,0,0,0,1|1,0,2]=4 36 B6R0.1 C=CC(OCC)=O M10186126P [2,0,0,0,0,0|0,0,2]=4 37 B6R0.1 CCCC(NN)=O M10055378P [2,0,0,0,0,0|2,0,0]=4 38 B6R0.1 O=C(C#N)OCC M10016649P [2,0,0,0,0,0|1,0,1]=4 39 B6R0.1 O=C(OC)CCN M10060379P [2,0,0,0,0,0|2,0,0]=4 40 B6R0.1 O=C(OCC)CBr M10003242P [2,0,0,0,0,0|1,0,0]=3 41 B6R0.1 O=C(OCC)CN M10011247P [2,0,0,0,0,0|1,0,0]=3 42 B6R0.4 CC(C)CCC=O M10027096P [2,0,0,0,0,0|1,0,0]=3 43 B6R0.4 CC(C)CCCBr M10016880P [2,0,0,0,0,0|1,0,1]=4 44 B6R0.4 CC(C)CCCO M10016881P [2,0,0,0,0,0|1,0,1]=4 45 B6R0.4 CC(C)CN=C=O M10037383P [2,0,0,0,0,0|1,0,1]=4 46 B6R0.4 CC(CCCBr)=O M10058337P [2,0,0,0,0,0|2,0,0]=4 47 B6R0.4 CC(NCCO)=O M10005418P [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 CC(OCCBr)C M10275026P [2,0,0,0,0,0|1,0,1]=4 49 B6R0.4 CC(OCCO)=O M10013697P [2,0,0,0,0,0|1,0,0]=3 50 B6R0.4 O=C(Cl)OCCCl M10016902P [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 O=NOCC(C)C M10013695P [2,0,0,0,0,0|1,0,0]=3 52 B6R0.6 CCCOCCCl M10247973P [2,0,0,0,0,0|1,0,1]=4 53 B8R0.1 O=C(OCC)CCCBr M10049666P [1,1,0,0,0,0|2,0,0]=4 54 B8R0.1 O=C(OCC)CCCCl M10051695P [1,1,0,0,0,0|2,0,0]=4 55 B8R0.1 O=C(OCC)CCCN M10097497P [1,1,0,0,0,0|2,0,0]=4 56 B8R0.1 O=C(OCC)COCC M10021200P [1,1,0,0,0,0|2,0,0]=4 57 B8R0.1 O=C(OCC)NCCCl M10089881P [1,1,0,0,0,0|2,0,0]=4 58 B8R0.3 CCC(C(OCC)=O)=O M10139497P [1,1,0,0,0,0|2,0,0]=4 59 B8R0.3 CCCC(Br)C(OC)=O M10159141P [1,1,0,0,0,0|2,0,0]=4 60 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [1,1,0,0,0,0|2,0,0]=4 61 B8R0.6 O=C(OC)CCCCCl M10129961P [1,1,0,0,0,0|2,0,0]=4 62 B8R0.6 O=C(OCCCC)CCl M10014991P [1,1,0,0,0,0|1,0,0]=3 63 B8R0.6 O=C(OCCCC)CO M10104696P [1,1,0,0,0,0|1,0,0]=3 64 B8R0.8 CC(O)C(OCCC)=O M10016208P [1,1,0,0,0,0|0,0,0]=2 65 B8R0.8 C[C@H](N)C(CCCC)=O M10784855P [1,1,0,0,0,0|1,0,0]=3 66 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [1,1,0,0,0,0|0,0,0]=2 67 B8R0.19 CCC(CC(CC)=O)=O M10105284P [1,1,0,0,0,0|1,0,1]=4 68 B8R0.7 CC(C)CCCCCO M12278016P [1,1,0,0,0,0|1,0,1]=4 69 B8R0.7 CC(O)COCCCC M10069007P [1,1,0,0,0,0|1,0,1]=4 70 B8R0.28 CC(C)C[AlH]CC(C)C M10028658P [1,1,0,0,0,0|1,0,1]=4 71 B8R0.28 NC(C)CCCC(C)C M10013728P [1,1,0,0,0,0|1,0,1]=4 72 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [1,1,0,0,0,0|1,0,0]=3 73 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [1,1,0,0,0,0|1,0,0]=3 74 B8R0.23 CC(C)CC(C([O-])=O)=O M10616782P [1,1,0,0,0,0|2,0,0]=4 75 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [1,1,0,0,0,0|2,0,0]=4 76 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [1,1,0,0,0,0|2,0,0]=4 77 B8R0.29 CC(NOC(C)=O)(C)C M10999973P [1,1,0,0,0,0|1,0,0]=3 78 B8R0.2 C[C@H](O)[C@@H](N)C(OC)=O M10315071P [0,1,0,0,1,0|2,0,0]=4 79 B8R0.2 N[C@H](C(C)C)C(OC)=O M10013347P [0,1,0,0,1,0|1,0,0]=3 80 B8R0.24 O=C(OC(C)(C)C)CN M10092202P [0,1,0,0,1,0|1,0,0]=3 81 B8R0.24 O=C(OC(C)(C)C)CO M10254830P [0,1,0,0,1,0|1,0,0]=3 82 B8R0.24 O=C(OC(C)(C)C)NC M10140415P [0,1,0,0,1,0|1,0,0]=3 83 B10R0.3 O=C(OCC)CCNC(C)C M10141409P [0,1,0,0,0,1|1,0,0]=3 84 B10R0.59 CCC(OCOC(CC)=O)=O M10055917P [0,1,0,0,0,1|1,0,1]=4 85 B10R0.32 CC(C)CC(C(OCC)=O)=O M10192294P [0,2,0,0,0,0|1,0,0]=3 86 B10R0.78 CCCCC(OCC(C)C)=O M10116460P [0,2,0,0,0,0|0,0,0]=2 87 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [1,0,0,1,0,0|2,0,0]=4 88 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [1,0,0,1,0,0|2,0,0]=4 89 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [1,0,0,1,0,0|2,0,0]=4 90 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [1,0,0,1,0,0|2,0,0]=4 91 B8R1.1 O=C1OCC(CO)O1 M10023416P [1,0,0,1,0,0|2,0,0]=4 92 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [1,0,0,1,0,0|1,0,0]=3 93 B8R1.2 OCC1=CCCCO1 M12277756P [1,0,0,1,0,0|2,0,0]=4 94 B8R1.5 O=C1C(C)CCCC1 M10014758P [1,0,0,1,0,0|1,0,0]=3 95 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [1,0,0,1,0,0|2,0,0]=4 96 B8R1.5 O=C1C(N)CCCC1 M10098058P [1,0,0,1,0,0|2,0,0]=4 97 B8R1.22 O=C1CCNCCC1 M10254302P [1,0,0,1,0,0|2,0,0]=4 98 B8R1.38 O=C(C1CCC1)NC M10122966P [1,0,0,1,0,0|2,0,0]=4 99 B8R1.38 O=C(C1CCC1)OC M10020178P [1,0,0,1,0,0|2,0,0]=4 100 B8R1.23 CC(N1CC(N)C1)=O M10103229P [1,0,0,1,0,0|2,0,0]=4 101 B8R1.23 O=C(C1CC(C)C1)O M10293834P [1,0,0,1,0,0|2,0,0]=4 102 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [1,0,0,1,0,0|2,0,0]=4 103 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [1,0,0,1,0,0|2,0,0]=4 104 B10R1.13 O=C1CCC(C(C)C)CC1 M10074366P [0,0,0,1,0,1|1,0,0]=3 105 B10R1.13 O=C1CCN(C(C)C)CC1 M10072037P [0,0,0,1,0,1|1,0,0]=3 106 B10R1.138 CCCC(OCC1OC1)=O M10044259P [0,1,0,1,0,0|1,0,0]=3 107 B10R1.138 CCCC(OC[C@H]1OC1)=O M10409414P [0,1,0,1,0,0|1,0,0]=3 108 B10R1.140 O=C(C1CC(O)C1)OCC M10147947P [0,1,0,1,0,0|2,0,0]=4 109 B10R1.140 O=C([C@H]1C[C@@H](N)C1)OCC M10089814P [0,1,0,1,0,0|2,0,0]=4 110 B10R2.335 O=C1CCC2(CC1)CC2 M10138687P [0,0,0,2,0,0|1,0,0]=3 111 B6R0.2 CC(CC(C)=O)=O M10123299P [1,0,0,0,1,0|1,0,1]=4 112 B6R0.2 CC(N)CC(C)C M10444558P [1,0,0,0,1,0|1,0,1]=4 113 B6R0.2 CC(N)CC(O)=O M10187780P [1,0,0,0,1,0|2,0,0]=4 114 B6R0.2 CC(O)CC([O-])=O M10005658P [1,0,0,0,1,0|2,0,0]=4 115 B6R0.2 CC(OC(Br)C)=O M10242154P [1,0,0,0,1,0|1,0,0]=3 116 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [1,0,0,0,1,0|2,0,0]=4 117 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [1,0,0,0,1,0|2,0,0]=4 118 B6R0.2 C[C@H](N)CC(O)=O M10057573P [1,0,0,0,1,0|2,0,0]=4 119 B6R0.2 C[C@H](N)CC(O)=O M10302309P [1,0,0,0,1,0|2,0,0]=4 120 B6R0.2 C[C@H](O)CC(O)=O M10084600P [1,0,0,0,1,0|2,0,0]=4 121 B6R0.2 C[S+](CC([O-])=O)C M10065707P [1,0,0,0,1,0|2,0,0]=4 122 B6R0.2 NC(C)CC(C)C M10003493P [1,0,0,0,1,0|1,0,1]=4 123 B6R0.2 O=C([O-])CN(C)C M10154757P [1,0,0,0,1,0|2,0,0]=4 124 B6R0.3 CC(C)C(OC)=O M10013809P [0,0,0,0,2,0|1,0,0]=3 125 B6R0.3 CC(O)C(OC)=O M10013810P [0,0,0,0,2,0|2,0,0]=4 126 B6R0.3 C[C@H](O)C(OC)=O M10199944P [0,0,0,0,2,0|2,0,0]=4 127 B6R0.3 O=C(N(C)C)CBr M10076656P [0,0,0,0,2,0|2,0,0]=4 128 B6R0.3 O=C(N(C)C)CN M10037195P [0,0,0,0,2,0|2,0,0]=4 129 B6R0.3 O=C(N(C)C)CN M10446751P [0,0,0,0,2,0|2,0,0]=4