0 B9R0.53 CC(C)=CC(C=C(C)C)=O M10012547P [0,0,0,0,0,0|0,0,4]=4 1 B9R0.53 S=C(NC(C)C)NC(C)C M10049883P [0,0,0,0,0,0|2,1,0]=3 2 B8R0.5 CC(N)CC(OCC)=O M10070569P [1,0,0,0,0,0|2,0,0]=3 3 B8R0.5 C[C@H](O)CC(OCC)=O M10290748P [1,0,0,0,0,0|2,0,0]=3 4 B8R0.28 CC(C)C[AlH]CC(C)C M10028658P [1,0,0,0,0,0|1,0,0]=2 5 B8R0.28 NC(C)CCCC(C)C M10013728P [1,0,0,0,0,0|1,0,1]=3 6 B10R0.31 C[C@H](O)CC(OC(C)(C)C)=O M10488136P [0,1,0,0,0,0|2,0,0]=3 7 B10R0.70 CC(\N=C(OC)\NC(C)C)C M10277857P [0,1,0,0,0,0|2,0,1]=4 8 B10R0.70 O=CN(CC(C)C)CC(C)C M12277169P [0,1,0,0,0,0|1,0,0]=2 9 B10R0.165 O=P(OC(C)C)(Cl)OC(C)C M10045593P [0,1,0,0,0,0|3,0,0]=4 10 B10R1.329 O=C1CC(C)(C)CC(C)C1 M10022310P [0,0,0,1,0,0|0,0,0]=1 11 B10R1.329 O=C1CC(CC(N1)(C)C)=O M10069875P [0,0,0,1,0,0|2,0,1]=4 12 B10R1.329 OC1CC(C)(C)CC(C)C1 M10004052P [0,0,0,1,0,0|0,0,2]=3 13 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [0,0,0,0,1,0|2,0,1]=4 14 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,0,0,0,1,0|1,0,1]=3 15 B8R0.23 CC(C(NC(C)C)=O)=C M10126221P [0,0,0,0,1,0|1,0,2]=4 16 B8R0.23 CC(C)CC(C([O-])=O)=O M10616782P [0,0,0,0,1,0|2,0,1]=4 17 B8R0.23 C[C@@H](N)C(OC(C)C)=O M10240042P [0,0,0,0,1,0|2,0,0]=3 18 B7R0.2 CC(N)CC(OC)=O M10083532P [2,0,0,0,0,0|2,0,0]=4 19 B7R0.2 CC(O)CC(OC)=O M10031579P [2,0,0,0,0,0|2,0,0]=4 20 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [2,0,0,0,0,0|2,0,0]=4 21 B7R0.2 O=C(NC(C)C)CBr M10460688P [2,0,0,0,0,0|2,0,0]=4 22 B7R0.2 O=C(NC(C)C)CN M10428027P [2,0,0,0,0,0|2,0,0]=4 23 B7R0.2 O=C(OC(C)C)CCl M10003254P [2,0,0,0,0,0|2,0,0]=4 24 B7R0.2 OCC(OC(C)C)=O M10016659P [2,0,0,0,0,0|2,0,0]=4 25 B7R0.4 CC(N)CCCCC M10004600P [2,0,0,0,0,0|1,0,1]=4 26 B7R0.7 CCCC(OCCl)=O M10221194P [2,0,0,0,0,0|2,0,0]=4 27 B7R0.7 O=C(CCCl)CCCl M10055903P [2,0,0,0,0,0|2,0,0]=4 28 B7R0.7 O=C(OCC)CCS M10076471P [2,0,0,0,0,0|2,0,0]=4 29 B9R0.6 CC(C)C(C(OCC)=O)=O M10164737P [1,1,0,0,0,0|1,0,1]=4 30 B9R0.6 C[C@@H](O)[C@H](N)C(OCC)=O M10241292P [1,1,0,0,0,0|2,0,0]=4 31 B9R0.34 O=C(OCC)CC(O)CCl M10115530P [1,1,0,0,0,0|2,0,0]=4 32 B9R0.44 CC(C)(N)CC(OCC)=O M10502863P [1,1,0,0,0,0|1,0,0]=3 33 B9R0.44 CC(C)(O)CC(OCC)=O M10154399P [1,1,0,0,0,0|1,0,0]=3 34 B9R0.44 O=C(OC(C)(C)C)CCN M10302342P [1,1,0,0,0,0|2,0,0]=4 35 B9R0.44 O=C(OC(C)(C)C)CCO M10310106P [1,1,0,0,0,0|2,0,0]=4 36 B9R0.44 O=C(OC(C)(C)C)CNC M10740955P [1,1,0,0,0,0|2,0,0]=4 37 B9R0.10 CC(C)(Br)C(OC(C)C)=O M10259426P [0,1,0,0,1,0|1,0,0]=3 38 B9R0.57 CC(Br)C(OC(C)(C)C)=O M10238826P [0,1,0,0,1,0|2,0,0]=4 39 B11R0.34 O=C(OC(C)(C)C)NCC(N)C M10846620P [0,1,0,0,0,1|2,0,0]=4 40 B11R0.119 O=C(OC(C)(C)C)NC(C)CO M10771118P [0,2,0,0,0,0|2,0,0]=4 41 B11R0.119 O=C(OC(C)(C)C)N[C@H](C)CN M11115929P [0,2,0,0,0,0|2,0,0]=4 42 B11R0.119 O=C(OC(C)(C)C)N[C@H](C)CO M10663345P [0,2,0,0,0,0|2,0,0]=4 43 B11R0.32 CC(C(CN(C)C)CC(C)C)=O M10603443P [0,2,0,0,0,0|1,0,1]=4 44 B11R0.32 [S-]C(N(CC(C)C)CC(C)C)=S M10219567P [0,2,0,0,0,0|1,1,0]=4 45 B9R1.34 O=C1CC(C)NC(C)C1 M11091903P [1,0,0,1,0,0|1,0,0]=3 46 B9R1.34 O=C1CC(CC(C)C1)=O M10062153P [1,0,0,1,0,0|1,0,1]=4 47 B9R1.66 O=C1CC(C)(C)OCC1 M10028787P [1,0,0,1,0,0|1,0,0]=3 48 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [1,0,0,1,0,0|2,0,0]=4 49 B9R1.137 CC(CC(C1CC1)=O)=O M10170892P [1,0,0,1,0,0|1,0,1]=4 50 B11R1.1361 O=C1C(C(C)CC(C)(C)C1)=O M10296661P [0,1,0,1,0,0|0,0,1]=3 51 B11R1.1361 O=C1C(O)=C(C)CC(C)(C)C1 M10067011P [0,1,0,1,0,0|0,0,2]=4 52 B7R0.5 CC(Br)C(OCC)=O M10013455P [1,0,0,0,1,0|2,0,0]=4 53 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,0,0,0,1,0|1,0,1]=4 54 B7R0.5 CC(C)C(OCCl)=O M10342363P [1,0,0,0,1,0|2,0,0]=4 55 B7R0.5 CC(S)C(OCC)=O M10162587P [1,0,0,0,1,0|2,0,0]=4 56 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [1,0,0,0,1,0|2,0,0]=4 57 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [1,0,0,0,1,0|2,0,0]=4 58 B9R0.48 CC(C)CCC(OCC)=O M10189485P [1,0,0,0,0,1|1,0,0]=3 59 B9R0.48 O=C(OCC(C)C)CC#N M10123002P [1,0,0,0,0,1|1,0,1]=4 60 B9R0.48 O=C(OCC)CCN(C)C M10164358P [1,0,0,0,0,1|2,0,0]=4 61 B9R0.55 CC(NCCNC(C)C)C M10059271P [1,0,0,0,0,1|1,0,1]=4