0 B7R0.9 C=C(C)CC(C)(C)C M10003431P [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)(N)CC(O)=O M10016757P [0,0,0,0,0,0|2,0,1]=3 2 B7R0.9 CC(C)(N)CC(O)=O M10897138P [0,0,0,0,0,0|2,0,1]=3 3 B7R0.9 CC(C)(O)CC(O)=O M10016759P [0,0,0,0,0,0|2,0,1]=3 4 B7R0.9 CC(C)(O)CC([O-])=O M12004457P [0,0,0,0,0,0|2,0,0]=2 5 B7R0.9 CC(C)=CC(C)(C)C M10003432P [0,0,0,0,0,0|3,0,1]=4 6 B7R0.9 CC(CC(C)(S)C)=O M10163133P [0,0,0,0,0,0|3,0,0]=3 7 B7R0.9 C[N+](C)(CC(O)C)C M10387811P [0,0,0,0,0,0|1,0,2]=3 8 B7R0.9 O=C([O-])C[N+](C)(C)C M10015014P [0,0,0,0,0,0|0,0,0]=0 9 B6R0.2 CC(CC(C)=O)=O M10123299P [1,0,0,0,0,0|3,0,0]=4 10 B6R0.2 CC(N)CC(O)=O M10187780P [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 CC(O)CC([O-])=O M10005658P [1,0,0,0,0,0|2,0,0]=3 12 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [1,0,0,0,0,0|2,0,1]=4 13 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [1,0,0,0,0,0|2,0,0]=3 14 B6R0.2 C[C@H](N)CC(O)=O M10057573P [1,0,0,0,0,0|2,0,1]=4 15 B6R0.2 C[C@H](N)CC(O)=O M10302309P [1,0,0,0,0,0|2,0,1]=4 16 B6R0.2 C[C@H](O)CC(O)=O M10084600P [1,0,0,0,0,0|2,0,1]=4 17 B6R0.2 C[S+](CC([O-])=O)C M10065707P [1,0,0,0,0,0|1,0,0]=2 18 B6R0.2 O=C(Cl)C=C(C)C M10053608P [1,0,0,0,0,0|2,0,1]=4 19 B6R0.2 O=C([O-])CN(C)C M10154757P [1,0,0,0,0,0|0,0,1]=2 20 B6R0.5 C=CC[N+](C)(C)C M10050037P [1,0,0,0,0,0|1,0,0]=2 21 B6R0.5 CC(C)(C)CCO M10016750P [1,0,0,0,0,0|1,0,2]=4 22 B6R0.5 CC(C)(OC=C)C M10023189P [1,0,0,0,0,0|3,0,0]=4 23 B6R0.5 CCC[N+](C)(C)C M10034255P [1,0,0,0,0,0|1,0,1]=3 24 B6R0.5 C[N+](C)(CC=C)C M10180899P [1,0,0,0,0,0|1,0,0]=2 25 B6R0.5 OCC[N+](C)(C)C M10004571P [1,0,0,0,0,0|0,0,2]=3 26 B6R0.5 OCC[N+](C)(C)C M10493787P [1,0,0,0,0,0|0,0,2]=3 27 B8R0.24 C=CC(NC(C)(C)C)=O M10003449P [0,1,0,0,0,0|3,0,0]=4 28 B8R0.24 O=C(OC(C)(C)C)CN M10092202P [0,1,0,0,0,0|3,0,0]=4 29 B8R0.24 O=C(OC(C)(C)C)CO M10254830P [0,1,0,0,0,0|2,0,1]=4 30 B8R0.24 O=C(OC(C)(C)C)NC M10140415P [0,1,0,0,0,0|3,0,0]=4 31 B8R0.27 CC(C)(C)[C@@H](N)C(O)=O M10195289P [0,1,0,0,0,0|1,0,1]=3 32 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O M10042100P [0,1,0,0,0,0|2,0,1]=4 33 B8R0.27 CC(C)(O)[C@H](N)C(O)=O M10042094P [0,1,0,0,0,0|2,0,1]=4 34 B8R0.27 N[C@@H](C(C)(C)C)C(N)=O M10458628P [0,1,0,0,0,0|2,0,0]=3 35 B8R0.34 CC(CC(SC)(C)C)=O M10180522P [0,1,0,0,0,0|2,0,0]=3 36 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [0,0,0,1,0,0|1,0,1]=3 37 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [0,0,0,1,0,0|1,0,1]=3 38 B6R0.7 CC(C(C)(O)C)=O M10004002P [0,0,0,0,1,0|3,0,0]=4 39 B6R0.7 CC(C)(Br)C(Cl)=O M12277198P [0,0,0,0,1,0|3,0,0]=4 40 B6R0.7 CC(C)(Br)C(N)=O M10105866P [0,0,0,0,1,0|3,0,0]=4 41 B6R0.7 CC(C)(C)C(N)=O M10019870P [0,0,0,0,1,0|2,0,0]=3 42 B6R0.7 CC(C)(C)C([O-])=O M10179561P [0,0,0,0,1,0|1,0,0]=2 43 B6R0.7 CC(C)(Cl)C(O)=O M10015207P [0,0,0,0,1,0|2,0,1]=4 44 B6R0.7 CC(C)(F)C(O)=O M10396272P [0,0,0,0,1,0|2,0,1]=4 45 B6R0.7 CC(C)(S)C(O)=O M10065399P [0,0,0,0,1,0|2,0,1]=4 46 B6R0.7 CC(O)(C)C(N)=O M10119909P [0,0,0,0,1,0|3,0,0]=4 47 B8R0.29 CC(C#C[Si](C)(C)C)=O M10082010P [0,0,0,0,0,1|2,0,1]=4 48 B8R0.29 CC(NOC(C)=O)(C)C M10999973P [0,0,0,0,0,1|3,0,0]=4 49 B8R0.29 O=C(O)CNC(C)(C)C M10097629P [0,0,0,0,0,1|1,0,1]=3 50 B8R0.29 O=C(O)CNC(C)(C)C M10301470P [0,0,0,0,0,1|1,0,1]=3 51 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 O=C([O-])CNC M10061947P [2,0,0,0,0,0|0,0,1]=3 53 B5R0.4 CC(C)(C)CBr M10017094P [2,0,0,0,0,0|2,0,0]=4 54 B5R0.4 CC(C)(C)CN M10080700P [2,0,0,0,0,0|2,0,0]=4 55 B5R0.4 CC(C)(N=O)C M12050084P [2,0,0,0,0,0|2,0,0]=4 56 B5R0.4 [Li]C[Si](C)(C)C M10036728P [2,0,0,0,0,0|2,0,0]=4 57 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [1,1,0,0,0,0|1,0,1]=4 58 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [1,1,0,0,0,0|1,0,1]=4 59 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [1,1,0,0,0,0|2,0,0]=4 60 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [1,1,0,0,0,0|1,0,1]=4 61 B7R0.8 O=CC#C[Si](C)(C)C M10049740P [1,1,0,0,0,0|1,0,1]=4 62 B7R0.13 O=C(N)C(C)(C)CN M10858578P [0,1,0,0,1,0|2,0,0]=4 63 B7R0.13 O=C(O)C(C)(C)CO M10066659P [0,1,0,0,1,0|1,0,1]=4 64 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,1,0,0|1,0,1]=4 65 B7R1.19 O=C(C1(C)CC1)N M10139369P [0,0,0,1,1,0|2,0,0]=4 66 B9R1.66 O=C1CC(C)(C)OCC1 M10028787P [0,1,0,1,0,0|2,0,0]=4 67 B9R1.138 O=C1OCC(C)(C)[C@@H]1O M10072911P [0,1,0,1,0,0|1,0,1]=4 68 B5R0.5 CC(C([O-])=O)=C M10077430P [1,0,0,0,1,0|1,0,1]=4 69 B5R0.5 CC(C([O-])=O)=C M10097056P [1,0,0,0,1,0|1,0,1]=4 70 B5R0.5 CC(C)C([O-])=O M10209916P [1,0,0,0,1,0|1,0,0]=3 71 B5R0.5 O=C(C)C([O-])=O M10204094P [1,0,0,0,1,0|2,0,0]=4 72 B5R0.5 OC(C)C([O-])=O M10140216P [1,0,0,0,1,0|2,0,0]=4 73 B5R0.5 OC(C)C([O-])=O M10189588P [1,0,0,0,1,0|2,0,0]=4 74 B5R0.5 [O-]C(C)C([O-])=O M10249277P [1,0,0,0,1,0|2,0,0]=4 75 B7R0.6 CC(CCC([O-])=O)=O M10183682P [1,0,0,0,0,1|2,0,0]=4 76 B7R0.6 C[S+](CCC(O)=O)C M10062116P [1,0,0,0,0,1|1,0,1]=4 77 B7R0.6 O=C(C)CCC([O-])=O M10015062P [1,0,0,0,0,1|2,0,0]=4 78 B7R0.6 O=C(Cl)OCC(C)C M10013714P [1,0,0,0,0,1|2,0,0]=4 79 B7R0.6 O=C(O)CCN(C)C M10133339P [1,0,0,0,0,1|0,0,2]=4 80 B9R0.56 C[N+](C)(C)CCCC(O)=O M10085429P [0,0,0,0,0,2|0,0,1]=3