0 B10R0.96 CC(=O)CC(=O)OCC(C)C D88331 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.48 CCOC(=O)CCC(C)C D81903 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.74 CC(C)C1CC(=O)CC(=O)C1 D73181 [0,0,0,1,0,0|1,0,0]=2 3 B11R1.645 CC(C)C[C@@H]1NC(=O)NC1=O 33247 [0,0,0,1,0,0|3,0,0]=4 4 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O FD21855 [0,0,0,1,0,0|3,0,0]=4 5 B9R0.7 C=C(C)C(=O)NC[C@H](C)O D94852 [0,0,0,0,1,0|3,0,0]=4 6 B9R0.53 CC(=O)CC(=O)CC(C)C D91362 [0,0,0,0,1,0|0,0,0]=1 7 B9R0.53 CC(=O)CC(=O)OC(C)C 43946 [0,0,0,0,1,0|0,0,0]=1 8 B9R0.53 CC(=O)C[C@@H](C)CC(C)C D95694 [0,0,0,0,1,0|1,0,1]=3 9 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52004 [0,0,0,0,1,0|2,0,1]=4 10 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52005 [0,0,0,0,1,0|2,0,1]=4 11 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52006 [0,0,0,0,1,0|2,0,1]=4 12 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl D70996 [0,0,0,0,1,0|2,0,1]=4 13 B9R0.53 C\C(N)=C\C(=O)OC(C)C 43947 [0,0,0,0,1,0|1,0,1]=3 14 B11R0.6 CC(C)CCOC(=O)CC(C)C D97798 [0,0,0,0,0,1|1,0,1]=3 15 B8R0.5 CCOC(=O)C=C(C)C O11780 [2,0,0,0,0,0|1,0,1]=4 16 B8R0.5 CCOC(=O)CC(=N)N AR2171 [2,0,0,0,0,0|2,0,0]=4 17 B8R0.5 CCOC(=O)CC(=O)Cl S10339 [2,0,0,0,0,0|1,0,0]=3 18 B8R0.5 CCOC(=O)CC(=O)O F20358 [2,0,0,0,0,0|1,0,0]=3 19 B8R0.5 CCOC(=O)CC(=O)[O-] 28442 [2,0,0,0,0,0|1,0,0]=3 20 B8R0.5 CCOC(=O)CC(N)=O 33127 [2,0,0,0,0,0|1,0,0]=3 21 B8R0.5 CCOC(=O)CC(N)=S F20893 [2,0,0,0,0,0|1,1,0]=4 22 B8R0.5 CCOC(=O)CN(C)C D78232 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.5 CCOC(=O)C[C@H](C)Br 29510 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.5 CCOC(=O)C[C@H](C)N A11039 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.5 CCOC(=O)C[C@H](C)N AC9275 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [2,0,0,0,0,0|0,0,2]=4 27 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [2,0,0,0,0,0|0,0,2]=4 28 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [2,0,0,0,0,0|0,0,2]=4 29 B8R0.5 CCOC(=O)C[N+](=O)[O-] 76581 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.5 CCOC(=O)NC(C)=O W18296 [2,0,0,0,0,0|1,0,0]=3 31 B8R0.5 CCOC(=O)NC(N)=O FD10635 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.5 CCOC(=O)\C=C(\C)I AC5957 [2,0,0,0,0,0|1,0,1]=4 33 B8R0.5 CCOC(=O)\C=C(\C)N A11031 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.5 CCOC(=O)\C=C(\C)N AB1419 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.9 CC(C)CNC(=O)CCl F20035 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.9 CCC(=O)NCC(C)C AC2518 [2,0,0,0,0,0|1,0,0]=3 37 B10R0.6 COCCOC(=O)CC(C)=O 43944 [1,1,0,0,0,0|0,0,0]=2 38 B10R0.18 CCCCC(=O)CC(=O)OC H10810 [1,1,0,0,0,0|1,0,0]=3 39 B10R0.18 CCOCC(=O)CC(=O)OC D95601 [1,1,0,0,0,0|2,0,0]=4 40 B10R0.32 CCOC(=O)C(=O)CC(C)=O F10311 [1,1,0,0,0,0|2,0,0]=4 41 B10R0.78 CCCCC(=O)OCC(C)C D95777 [1,1,0,0,0,0|0,0,1]=3 42 B10R0.31 CC(=O)CC(=O)OC(C)(C)C D70417 [0,1,0,0,1,0|0,0,0]=2 43 B10R0.31 CC(=O)NC(=O)OC(C)(C)C 24566 [0,1,0,0,1,0|1,0,0]=3 44 B10R0.31 CC(C)(C)OC(=O)CC(=O)O F14692 [0,1,0,0,1,0|1,0,0]=3 45 B10R0.31 CN(N)CC(=O)OC(C)(C)C RB3105 [0,1,0,0,1,0|2,0,0]=4 46 B12R0.3 CC(C)CC(=O)OC(=O)CC(C)C D74606 [0,1,0,0,0,1|1,0,1]=4 47 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 20701 [0,2,0,0,0,0|1,0,0]=3 48 B10R1.61 CC(=O)[C@@H]1CCCCC1=O 35255 [1,0,0,1,0,0|1,0,0]=3 49 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O AC5719 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O AC5800 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.63 CC1(C)CCC(=O)CC1=O F16710 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.63 CC1(C)CCC(=O)OC1=O D89834 [1,0,0,1,0,0|2,0,0]=4 53 B10R1.138 CCCC(=O)OC[C@H]1CO1 23071 [1,0,0,1,0,0|1,0,1]=4 54 B10R1.138 CCCC(=O)OC[C@H]1CO1 F20484 [1,0,0,1,0,0|1,0,1]=4 55 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 D72490 [0,0,0,1,1,0|1,0,1]=4 56 B10R1.329 CC1(C)CC(=O)C=C(N)C1 84127 [0,0,0,1,1,0|1,0,1]=4 57 B10R1.329 CC1(C)CC(=O)CC(=O)C1 D70508 [0,0,0,1,1,0|0,0,0]=2 58 B10R1.329 CC1(C)CC(=O)NC(=O)C1 P10020 [0,0,0,1,1,0|1,0,0]=3 59 B10R1.329 CC1(C)CC(=O)OC(=O)C1 F14671 [0,0,0,1,1,0|1,0,0]=3 60 B10R1.329 CC1(C)OC(=O)CC(=O)O1 CX1199 [0,0,0,1,1,0|1,0,0]=3 61 B10R1.329 CC1=CC(=O)CC(C)(C)C1 D72515 [0,0,0,1,1,0|1,0,1]=4 62 B10R1.329 CC1=CC(=O)OC(C)(C)O1 P17112 [0,0,0,1,1,0|0,0,2]=4 63 B10R1.329 C[C@@H]1CC(=O)CC(C)(C)C1 AT10301 [0,0,0,1,1,0|1,0,1]=4 64 B8R0.8 C=C(C)C(=O)OCCN 77919 [1,0,0,0,1,0|2,0,0]=4 65 B8R0.8 C=C(C)C(=O)OCCO D70640 [1,0,0,0,1,0|2,0,0]=4 66 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [1,0,0,0,1,0|0,0,2]=4 67 B8R0.28 CC(=O)CCCC(C)C D81757 [1,0,0,0,1,0|0,0,1]=3 68 B8R0.28 CC(C)COCC(=O)O D79193 [1,0,0,0,1,0|1,0,0]=3 69 B8R0.23 C=C(C)C(=O)NC(C)C A11002 [0,0,0,0,2,0|2,0,0]=4 70 B8R0.23 CC(=O)C(=O)CC(C)C D84272 [0,0,0,0,2,0|0,0,0]=2 71 B8R0.23 CC(C)CC(=O)C(=O)O D82408 [0,0,0,0,2,0|1,0,0]=3 72 B8R0.23 CC(C)CC(=O)C(=O)[O-] F10915 [0,0,0,0,2,0|1,0,0]=3 73 B8R0.23 CC(C)NC(=O)C(=O)O AC5819 [0,0,0,0,2,0|2,0,0]=4 74 B8R0.23 CC(C)OC(=O)[C@H](C)N 34399 [0,0,0,0,2,0|1,0,1]=4 75 B8R0.23 CC(C)OC(=O)[C@H](C)N F20403 [0,0,0,0,2,0|1,0,1]=4