0 B7R0.6 CC(C)=CC=C(C)C M10020099P [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,0,0,0,0,0|1,0,3]=4 3 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,0,0,0,0,0|1,0,3]=4 5 B7R0.6 O=C(O)\C=C/C(N)=O M10014102P [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 O=C(O)\C=C/C([O-])=O M10251006P [0,0,0,0,0,0|0,0,1]=1 7 B7R0.6 O=C([O-])C#CC([O-])=O M10023271P [0,0,0,0,0,0|0,0,4]=4 8 B7R0.6 O=C([O-])CCC([O-])=O M10041518P [0,0,0,0,0,0|0,0,4]=4 9 B7R0.6 O=C([O-])CCC([O-])=O M10384426P [0,0,0,0,0,0|0,0,4]=4 10 B7R0.6 O=C([O-])\C=C/C(O)=O M10018448P [0,0,0,0,0,0|0,0,1]=1 11 B6R0.4 C=C\C=C\C(O)=O M10016890P [1,0,0,0,0,0|1,0,0]=2 12 B6R0.4 CC\C=C\C(O)=O M10016889P [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CC\C=C\C([O-])=O M12008293P [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 O=C(O)\C=C\CBr M10127900P [1,0,0,0,0,0|1,0,1]=3 15 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,1,0,0,0,0|1,0,2]=4 16 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,1,0,0,0,0|1,0,2]=4 17 B8R0.9 O=C(O)\C=C\C(OC)=O M10047363P [0,1,0,0,0,0|0,0,0]=1 18 B8R0.9 O=C(OC)CCC(Cl)=O M10031630P [0,1,0,0,0,0|1,0,2]=4 19 B8R0.23 C=C(NC(C)=O)C(O)=O M10074141P [0,1,0,0,0,0|2,0,0]=3 20 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O M12276677P [0,1,0,0,0,0|0,0,3]=4 21 B8R0.23 O=C(O)C(S)CC(O)=O M10000758P [0,1,0,0,0,0|0,0,2]=3 22 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [0,1,0,0,0,0|0,0,3]=4 23 B8R0.23 O=C([O-])[C@@H](N)CC(O)=O M10238865P [0,1,0,0,0,0|0,0,3]=4 24 B8R1.3 O=C1C=CC(Cl)=NN1 M10158814P [0,0,0,1,0,0|3,0,0]=4 25 B8R1.3 O=C1C=CC(N)=CN1 M10221098P [0,0,0,1,0,0|3,0,0]=4 26 B8R1.3 O=C1C=CC(O)=CN1 M10069173P [0,0,0,1,0,0|2,0,0]=3 27 B8R1.3 OC1=CC=C(N)C=C1 M10000173P [0,0,0,1,0,0|3,0,0]=4 28 B8R1.3 OC1=CN=C(Cl)C=C1 M10245453P [0,0,0,1,0,0|3,0,0]=4 29 B8R1.3 OC1=NC=C(C)C=C1 M10606720P [0,0,0,1,0,0|3,0,0]=4 30 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,0,0,1,0,0|1,0,2]=4 31 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,0,0,1,0|2,0,1]=4 32 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,0,0,0,1,0|1,0,2]=4 33 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,0,0,0,1,0|1,0,2]=4 34 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,0,0,0,1,0|3,0,0]=4 35 B8R0.28 O=C(O)COCC(O)=O M10003764P [0,0,0,0,0,1|0,0,2]=3 36 B8R0.28 O=C(O)\C=C\CN(C)C M10996972P [0,0,0,0,0,1|3,0,0]=4 37 B5R0.1 CC(OC=O)=O M10041862P [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 C\C=C\C(Cl)=O M10016774P [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 C\C=C\C(Cl)=O M10115520P [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 O=C(O)CCO M10012525P [2,0,0,0,0,0|0,0,2]=4 41 B5R0.2 O=CNNC=O M10016977P [2,0,0,0,0,0|2,0,0]=4 42 B7R0.3 O=C(OC)CCC=O M10126962P [1,1,0,0,0,0|0,0,2]=4 43 B7R0.3 O=C(OC)\C=C\OC M10080442P [1,1,0,0,0,0|2,0,0]=4 44 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [1,1,0,0,0,0|1,0,1]=4 45 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,1,0,0,1,0|1,0,1]=4 46 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [0,1,0,0,1,0|0,0,1]=3 47 B7R0.16 O=C(O)C(O)C(O)=O M10001299P [0,1,0,0,1,0|0,0,1]=3 48 B9R0.1 O=C(O)CCCC(OC)=O M10031796P [0,1,0,0,0,1|0,0,2]=4 49 B9R0.7 N[C@H](CCC(O)=O)C(O)=O M10005213P [0,1,0,0,0,1|0,0,2]=4 50 B9R0.42 O=C(O)C(CC(OC)=O)=C M10103997P [0,2,0,0,0,0|0,0,1]=3 51 B9R0.48 O=C(OCC)\C=C\C(Cl)=O M10193577P [0,2,0,0,0,0|1,0,0]=3 52 B9R0.57 C=C(OP(O)(O)=O)C(O)=O M10115899P [0,2,0,0,0,0|2,0,0]=4 53 B9R0.79 O=C(O)[C@@H](Br)[C@@H](Br)C(O)=O M10015757P [0,2,0,0,0,0|0,0,2]=4 54 B9R0.79 O=C(O)[C@@H](S)[C@@H](S)C(O)=O M11185553P [0,2,0,0,0,0|0,0,2]=4 55 B9R0.79 O[C@@H]([C@@H](C(O)=O)O)C(O)=O M10424657P [0,2,0,0,0,0|0,0,2]=4 56 B9R0.79 O[C@H]([C@H](C(O)=O)O)C(O)=O M10723561P [0,2,0,0,0,0|0,0,2]=4 57 B7R1.2 CC1=CC=C(Br)O1 M10718133P [1,0,0,1,0,0|2,0,0]=4 58 B7R1.2 O=C1NCC(O1)=O M10040935P [1,0,0,1,0,0|1,0,1]=4 59 B7R1.2 O=C1OC(C)=CC1 M10015036P [1,0,0,1,0,0|1,0,1]=4 60 B7R1.3 OC1=CC=CC=C1 M10624650P [1,0,0,1,0,0|2,0,0]=4 61 B9R1.35 O=C(C1=CC(Br)=CN1)O M10199382P [0,0,0,1,0,1|2,0,0]=4 62 B9R1.35 O=C(C1=CC(C)=CN1)O M10156935P [0,0,0,1,0,1|2,0,0]=4 63 B9R1.35 O=C(C1=CC(Cl)=CS1)O M10308509P [0,0,0,1,0,1|2,0,0]=4 64 B9R1.35 O=C(C1=CC=C(Br)N1)O M10202057P [0,0,0,1,0,1|2,0,0]=4 65 B9R1.35 O=C(C1=CC=C(C)O1)O M10037928P [0,0,0,1,0,1|1,0,0]=3 66 B9R1.35 O=C(C1=CC=C(F)S1)O M10062552P [0,0,0,1,0,1|1,1,0]=4 67 B9R1.35 O=C(C1=CN=C(C)N1)O M10031064P [0,0,0,1,0,1|2,0,0]=4 68 B9R1.35 O=C(C1=CN=C(N)S1)O M10242223P [0,0,0,1,0,1|1,1,0]=4 69 B9R1.35 O=C(C1=COC(Cl)=N1)O M10943211P [0,0,0,1,0,1|2,0,0]=4 70 B9R1.35 O=C(C1=CSC(Cl)=N1)O M10069591P [0,0,0,1,0,1|2,0,0]=4 71 B9R1.35 O=C(C1=NC(Br)=CS1)O M10553171P [0,0,0,1,0,1|2,0,0]=4 72 B9R1.35 O=C(C1=NC(C)=CO1)O M11111185P [0,0,0,1,0,1|2,0,0]=4 73 B9R1.35 O=C(C1=NC(C)=CS1)O M10131803P [0,0,0,1,0,1|2,0,0]=4 74 B9R1.35 O=C(C1=NC=C(Br)S1)O M11089748P [0,0,0,1,0,1|1,1,0]=4 75 B9R1.35 O=C(C1=NC=C(C)S1)O M10327915P [0,0,0,1,0,1|1,1,0]=4 76 B9R1.35 O=C(C1=NN=C(C)O1)O M10890763P [0,0,0,1,0,1|2,0,0]=4 77 B9R1.35 O=C(O)C1=CC(Br)=CO1 M10054505P [0,0,0,1,0,1|2,0,0]=4 78 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,0,0,1,0,1|0,0,2]=4 79 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,0,0,1,0,1|0,0,2]=4 80 B9R1.1 O=CC=1C=CC(NN1)=O M10083697P [0,1,0,1,0,0|2,0,0]=4 81 B9R1.1 OC1=CC=C(N=O)C=C1 M10003202P [0,1,0,1,0,0|2,0,0]=4 82 B9R1.69 OC1=CC=C(C)C(O)=C1 M10012294P [0,1,0,1,0,0|2,0,0]=4 83 B9R1.69 OC1=CC=C(N)C(O)=C1 M10224973P [0,1,0,1,0,0|2,0,0]=4 84 B9R1.69 OC1=CC=C(O)C=C1Br M10014762P [0,1,0,1,0,0|2,0,0]=4 85 B9R1.69 OC1=CC=C(O)C=C1F M10283792P [0,1,0,1,0,0|2,0,0]=4 86 B9R1.69 OC1=NN=C(O)C=C1C M10195225P [0,1,0,1,0,0|2,0,0]=4 87 B5R0.5 C=C(F)C(O)=O M10010638P [0,0,0,0,2,0|2,0,0]=4 88 B5R0.5 C[C@@H](O)C(O)=O M10114112P [0,0,0,0,2,0|1,0,1]=4 89 B5R0.5 O=C(C)C([O-])=O M10204094P [0,0,0,0,2,0|1,0,1]=4 90 B5R0.5 O=C(O)C(O)=O M10094285P [0,0,0,0,2,0|0,0,0]=2 91 B5R0.5 O=C([O-])C([O-])=O M10013989P [0,0,0,0,2,0|0,0,2]=4 92 B5R0.5 O=C([O-])C([O-])=O M10082392P [0,0,0,0,2,0|0,0,2]=4 93 B5R0.5 O=C([O-])C([O-])=O M10193068P [0,0,0,0,2,0|0,0,2]=4 94 B5R0.5 O=C([O-])C([O-])=O M10211923P [0,0,0,0,2,0|0,0,2]=4 95 B5R0.5 O=C([O-])C([O-])=O M10271683P [0,0,0,0,2,0|0,0,2]=4 96 B9R0.55 O=C(O)\C=C\C=C\C(O)=O M10190197P [0,0,0,0,0,2|0,0,0]=2