0 B9R0.19 CCOC(=O)C(F)(F)CO C15704 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.19 CCOC(=O)[C@@](C)(N)CC D78556 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [1,0,0,0,0,0|0,0,2]=3 3 B8R0.3 C=C(CC)C(=O)OCC 97591 [1,0,0,0,0,0|0,0,2]=3 4 B8R0.3 C=C(CCl)C(=O)OCC T70430 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.3 CCCC(C)C(C)CC T71461 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.13 C=CC(C)(C)C(=O)CC F51066 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.13 COC(=O)C(F)(F)CBr AT22612 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.13 COC(=O)[C@@](C)(N)CO AT18244 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.14 C=C(OCC)[Sn](C)(C)C 20819 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.14 CC(C)(C)C(=O)NCO 81302 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.14 CNCC(=O)C(C)(C)C F50925 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.14 [2H]C([2H])([2H])C(=O)OCC D97996 [1,0,0,0,0,0|3,0,0]=4 19 B10R0.36 C=C(Cl)C(C)(C)C(=O)OCC A10157 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.36 CCOC(=O)C(C)(C)C(N)=S W18276 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.36 CCOC(=O)C(F)(F)[C@H](C)O N13042 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.36 CCOC(=O)[C@@](C)(Br)C(C)=O 21223 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.129 CCC[C@](C)(N)C(=O)OCC D78557 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.114 CC1(C)C(=O)CCC[C@@H]1O D90971 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.339 CC1NC(=O)C(C)(C)C1O 94944 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.401 CCOC(=O)C1(C)COC1 C93315 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.405 CCOC(=O)C1(CF)CC1 AC7247 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.447 CCN1C[C@](C)(CCl)C1=O AT19220 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.447 CCN1C[C@](C)(CN)C1=O AT19041 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.475 CC[C@]1(C)OC(=O)NC1=O D75121 [0,0,0,1,0,0|2,0,1]=4 31 B10R0.7 C=CC(C)(C)CC(=O)OCC 28251 [0,0,0,0,0,1|1,0,2]=4 32 B10R0.7 CCOC(=O)CS(=O)(=O)CC AC5826 [0,0,0,0,0,1|2,0,1]=4 33 B7R0.5 CC(C)C(=O)NCO 81303 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.5 CCOC(=N)C(C)C W12825 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.5 CN(C)C(=O)OCCl C77477 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.7 CCOC(=O)CCN F19878 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.7 CCSC(=O)OCI C77591 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.10 C=C(CC)C(=O)OC 82635 [2,0,0,0,0,0|0,0,2]=4 39 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.10 COC(=O)[C@@H](F)CN 94842 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.10 COC(=O)[C@@H](N)CO D87908 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.10 COC(=O)[C@@H](O)CN A11345 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.10 COC(=O)[C@H](C)OC 29231 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.11 CCCC(C)(C)CC T71064 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.11 CCOC(C)(C)CC D78478 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.13 C=C[C@](C)(O)C(=O)O AT23392 [2,0,0,0,0,0|0,0,2]=4 49 B7R0.13 CC(C)(CBr)C(=O)O AC8762 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.13 CC[C@](C)(N)C(=O)O 75102 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.13 COC(C)(C)C(C)=O S10204 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.13 [2H]C([2H])(CC)C(=O)O D98810 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.8 CC\C=C/C(C)(C)C T71234 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 93013 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.6 CCOC(=O)\C(C)=C(\C)N 96849 [1,1,0,0,0,0|0,0,2]=4 56 B9R0.37 CCOC(=O)[C@@H](CC)CN 97590 [1,1,0,0,0,0|0,0,0]=2 57 B9R0.37 CCOC(=O)\C(CBr)=N/O 88092 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.28 COC(=O)C(C)(C)[C@H](C)N AT25926 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14617 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14618 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14619 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.69 CCC(F)(CC)C(=O)OC P15031 [1,1,0,0,0,0|1,0,0]=3 63 B11R0.60 CCOC(=O)C(C)(C)C(F)(F)F I10767 [0,2,0,0,0,0|2,0,0]=4 64 B11R0.240 CCOC(=O)C(C)(C)CC(=O)O 90504 [0,2,0,0,0,0|1,0,1]=4 65 B11R0.247 CCOC(=O)C(C)(C)CCCCl D87987 [0,2,0,0,0,0|1,0,0]=3 66 B11R0.247 CCOC(=O)C(F)(F)CCC#N 94738 [0,2,0,0,0,0|2,0,0]=4 67 B11R0.252 CCOC(=O)C(CC)(CC)CO AT12806 [0,2,0,0,0,0|0,0,0]=2 68 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.15 CCN1CCCNC1=O AT26678 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.15 CC[C@H]1CNCCC1=O O11002 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.73 CCOC(=O)C1CSC1 F18444 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.74 CCOC(=O)C1(Cl)CC1 96432 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.202 C[C@]1(CO)CCNC1=O AT19085 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.138 CN1CCC(C)(C)C1=O F18102 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.190 COC(=O)C1(CN)CC1 82608 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.38 C[C@@H]1CC(=O)C(C)(C)C1 T72217 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.102 CC(C)(C)C(=O)C1CC1 F30713 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.148 C[C@]1(O)CNCCOC1 D84909 [1,0,0,1,0,0|1,0,1]=4 85 B11R1.835 CCOC(=O)C1(C(F)F)CC1 93592 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.979 C[C@@]1(Cl)C(=O)O[C@H](CO)[C@@H]1O W18212 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.819 CCOC(=O)C1(N)CC=CC1 AC9000 [0,1,0,1,0,0|1,0,1]=4 88 B11R1.819 CCOC(=O)C1(N)CCCC1 20671 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.819 CCOC(=O)[C@]1(C)CCCO1 AC4486 [0,1,0,1,0,0|0,0,0]=2 90 B11R1.833 CCOC(=O)C1(N)CC(=O)C1 D79126 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.834 C=CC1CC1(N)C(=O)OCC C11964 [0,1,0,1,0,0|1,0,1]=4 92 B11R1.834 C=CC1CC1(N)C(=O)OCC W17568 [0,1,0,1,0,0|1,0,1]=4 93 B11R1.838 CCOC(=O)C1(CC#N)CC1 AT26295 [0,1,0,1,0,0|1,0,1]=4 94 B11R1.838 CCOC(=O)C1(OCC)CC1 92151 [0,1,0,1,0,0|1,0,0]=3 95 B11R1.831 CCOC(=O)C1(CBr)CCC1 F31328 [0,1,0,1,0,0|1,0,0]=3 96 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [1,0,0,0,0,1|0,0,2]=4 97 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [1,0,0,0,0,1|1,0,0]=3 98 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [1,0,0,0,0,1|1,0,0]=3 99 B9R0.34 CCOC(=O)\C=C(/C)CBr H10647 [1,0,0,0,0,1|1,0,1]=4 100 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [1,0,0,0,0,1|1,0,0]=3