0 B9R0.56 CC(=O)OCC[N+](C)(C)C A11694 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.56 CC(=O)OCC[N+](C)(C)C L02168 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.56 CC(=O)SCC[N+](C)(C)C A16802 [0,0,0,0,0,0|0,1,0]=1 3 B9R0.56 C[N+](C)(C)CCOC(=O)N L06674 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.21 C[Si](C)(C)CCOCCl H55074 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.28 CC(=CCCC(=O)C)C A13335 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.28 CC(=CCOC(=O)C)C A18958 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.28 CC(C)CCCC(=O)O A19012 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.28 CC(C)CCOC(=O)C B21618 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.28 CN(C)CCCC(=O)O A16610 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.31 CC(CC(=O)O)CC(C)(C)C L13360 [0,1,0,0,0,0|3,0,0]=4 11 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C L06848 [0,1,0,0,0,0|0,0,0]=1 12 B10R0.31 C[N+](C)(C)CC(CC(=O)[O-])O A16589 [0,1,0,0,0,0|2,0,0]=3 13 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)[O-])O A17618 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.29 CC(C)(C)NCC(=O)O H64270 [0,0,0,0,1,0|3,0,0]=4 15 B8R0.29 CC(C)(C)OCC(=O)O H35600 [0,0,0,0,1,0|3,0,0]=4 16 B7R0.4 CC#CCOC(=O)C B24584 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.4 CC(=O)OCCCCl B25013 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.4 CC(C)CCON=O L13909 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.4 CCCCCC(=O)C A10200 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.4 CCCCOC(=O)C 19395 [2,0,0,0,0,0|1,0,0]=3 21 B7R0.4 CCCCOC(=O)C 39197 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.4 CCCCOC(=O)C A19412 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.4 CCCCOC(=O)Cl B22215 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.4 COCCOC(=O)Cl H25937 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.4 C\C=C\COC(=O)C L09734 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.8 CCCCC(C)(C)C 41895 [2,0,0,0,0,0|1,0,1]=4 27 B9R0.38 CCCCCC[N+](C)(C)C L08594 [1,1,0,0,0,0|1,0,1]=4 28 B9R0.1 CN(C)CCOC(=O)C=C L13506 [1,1,0,0,0,0|0,0,2]=4 29 B9R0.10 CC(=O)CC(=O)C(C)(C)C L13104 [0,1,0,0,1,0|1,0,1]=4 30 B11R0.318 CC(=C)C(=O)OCC[N+](C)(C)C L13523 [0,1,0,0,0,1|1,0,0]=3 31 B11R0.180 CCCC(=O)SCC[N+](C)(C)C A12622 [0,2,0,0,0,0|0,1,0]=3 32 B9R1.66 CC1(CCCC(=O)C1)C H28000 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.35 CC(C)[C@@H]1COC(=O)N1 L14518 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.35 CC(C)[C@H]1COC(=O)N1 A14029 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.10 CC1(CCC(=O)CC1)C H25857 [0,0,0,1,1,0|1,0,0]=3 36 B9R1.10 CC1(COC(=O)OC1)C L08767 [0,0,0,1,1,0|2,0,0]=4 37 B11R1.19 CC(C)(C)C1CCC(=O)CC1 A15612 [0,1,0,1,0,0|2,0,0]=4 38 B7R0.6 CC(=O)CCC(=O)C B25686 [1,0,0,0,1,0|2,0,0]=4 39 B7R0.6 CC(=O)COC(=O)C H31346 [1,0,0,0,1,0|2,0,0]=4 40 B7R0.6 CC(C)CCC(=O)C L17584 [1,0,0,0,1,0|1,0,0]=3 41 B7R0.6 CC(C)CCC(=O)O A15405 [1,0,0,0,1,0|2,0,0]=4 42 B7R0.6 CC(C)COC(=O)C A14892 [1,0,0,0,1,0|1,0,0]=3 43 B7R0.6 CC(C)COC(=O)Cl A14692 [1,0,0,0,1,0|2,0,0]=4 44 B7R0.9 CC(=C)CC(C)(C)C B20187 [0,0,0,0,2,0|2,0,0]=4 45 B7R0.9 CC(=O)CC(C)(C)O A16248 [0,0,0,0,2,0|2,0,0]=4 46 B7R0.9 CC(=O)CC(C)(C)S H31693 [0,0,0,0,2,0|2,0,0]=4 47 B7R0.9 CC(=O)NC(C)(C)C L08505 [0,0,0,0,2,0|2,0,0]=4 48 B7R0.9 CC(=O)N[Si](C)(C)C A13884 [0,0,0,0,2,0|2,0,0]=4 49 B7R0.9 CC(=O)OC(C)(C)C L08855 [0,0,0,0,2,0|1,0,0]=3 50 B7R0.9 CC(=O)O[Si](C)(C)C B22037 [0,0,0,0,2,0|1,0,0]=3 51 B7R0.9 CC(C)(C)CC(=O)Cl A10162 [0,0,0,0,2,0|2,0,0]=4 52 B7R0.9 CC(C)(C)CC(=O)O B21660 [0,0,0,0,2,0|2,0,0]=4 53 B7R0.9 CC(C)(C)OC(=O)N L00259 [0,0,0,0,2,0|2,0,0]=4 54 B7R0.9 C[N+](C)(C)CC(=O)[O-] A16122 [0,0,0,0,2,0|1,0,0]=3 55 B7R0.9 C[N+](C)(C)CC(=O)[O-] B24397 [0,0,0,0,2,0|1,0,0]=3 56 B7R0.9 C[Si](C)(C)CC(=O)O L03903 [0,0,0,0,2,0|2,0,0]=4 57 B9R0.55 CC(=O)OCCOC(=O)C 41910 [1,0,0,0,0,1|2,0,0]=4