0 B8R0.5 CC(C)C[C@@H](N)CCO AT14312 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.2 CC(C)C[C@H](N)CF AC4927 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.6 CCOC(=O)[C@@H](C)C(=O)O C91037 [0,1,0,0,0,0|2,0,1]=4 3 B9R0.34 CCOC(=O)CC(=O)CO D75487 [0,1,0,0,0,0|1,0,1]=3 4 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [0,1,0,0,0,0|0,0,0]=1 5 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [0,1,0,0,0,0|1,0,0]=2 6 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [0,1,0,0,0,0|1,0,0]=2 7 B9R0.44 CC#CC(=O)OC(C)(C)C AC8571 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.44 CCOC(=O)CC(C)(C)F AT22077 [0,1,0,0,0,0|0,0,0]=1 9 B9R1.22 CCN1C[C@@H](O)CC1=O AT19120 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.34 CC1=C[C@@H](C)CC(=O)C1 AC6518 [0,0,0,1,0,0|1,0,2]=4 11 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 F31011 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.75 CCNC(=O)NC1CC1 AT23682 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.183 CCOC(=O)C1CC1O 92030 [0,0,0,1,0,0|1,0,0]=2 18 B6R0.1 COCC(=O)CBr AT12825 [2,0,0,0,0,0|2,0,0]=4 19 B8R0.2 COC(=O)[C@@H](C)[C@H](C)N 75023 [1,1,0,0,0,0|1,0,0]=3 20 B8R0.19 CCC(C)CC(C)CC T71466 [1,1,0,0,0,0|1,0,1]=4 21 B8R0.19 COC(=O)CC(=O)CF AT24447 [1,1,0,0,0,0|1,0,1]=4 22 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [1,1,0,0,0,0|0,0,0]=2 23 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [1,1,0,0,0,0|0,0,0]=2 24 B8R0.28 CC(C)\C=C\CC(C)C T70700 [1,1,0,0,0,0|1,0,0]=3 25 B8R0.1 CCOC(=O)\C=C\CO AT14907 [1,1,0,0,0,0|0,0,2]=4 26 B8R0.1 N#CCC(=O)OCCN D76753 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.1 N#CCC(=O)OCCN D76754 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.3 C=C(CF)C(=O)OCC C91938 [1,1,0,0,0,0|1,0,1]=4 29 B10R0.26 CCOC(=O)CC(=O)C(Cl)Cl Y14766 [0,1,0,0,0,1|2,0,0]=4 30 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53604 [0,1,0,0,0,1|0,0,0]=2 31 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53696 [0,1,0,0,0,1|0,0,0]=2 32 B10R0.32 CCOC(=O)[C@@H](N)CN(C)C AT25505 [0,1,0,0,0,1|1,0,0]=3 33 B10R0.100 [2H]C([2H])([2H])[C@H](Br)C(=O)OCC D99652 [0,2,0,0,0,0|2,0,0]=4 34 B10R0.2 CCOC(=O)CN(C)CCN AT15291 [0,2,0,0,0,0|1,0,0]=3 35 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.18 CN1C[C@@H](N)CC1=O AT19104 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.18 CN1C[C@@H](N)CC1=O AT19105 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.18 CN1C[C@@H](N)CC1=O AT23597 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.18 CN1C[C@@H](N)CC1=O AT23598 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.18 CN1C[C@@H](O)CC1=O AT19112 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.18 CN1C[C@@H](O)CC1=O AT19115 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.18 CN1C[C@@H](O)CC1=O AT19117 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.18 CN1C[C@@H](S)CC1=O AT19213 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.40 COC(=O)C=C1CC1 AT21192 [1,0,0,1,0,0|0,0,2]=4 47 B8R1.40 NCC(=O)NC1CC1 D76973 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.51 CC1(C)CC(=O)NO1 D73554 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.51 CC1(C)CSC(=O)N1 AT20223 [1,0,0,1,0,0|1,1,0]=4 50 B8R1.51 CC1(C)NCC(=O)N1 F31287 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.51 O=C1CCC(F)(F)C1 C90742 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.6 CCO[C@H]1C[C@@H](O)C1 AT13089 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.6 CCO[C@H]1C[C@H](N)C1 P13634 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.6 CCO[C@H]1C[C@H](O)C1 AT13088 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.7 CC(O)C1CCOC1 AT21453 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.7 C[C@H](O)C1CCOC1 AT21454 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.7 C[C@H](O)C1CCOC1 AT21455 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.22 C[C@H]1CCOCCN1 33399 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.11 CN[C@H]1CCNC1=O AT19094 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.11 O=C1CCCN1CO D86008 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.37 O=C(OCCl)C1CC1 D85989 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [0,0,0,1,1,0|2,0,0]=4 64 B8R1.5 O=C1NCCC[C@@H]1O D77061 [0,0,0,1,1,0|2,0,0]=4 65 B10R1.140 CCNC(=O)N1CC(O)C1 AT23069 [0,0,0,1,0,1|2,0,0]=4 66 B10R1.140 CCOC(=O)N1CC(N)C1 AT23060 [0,0,0,1,0,1|1,0,0]=3 67 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 F52406 [0,0,0,1,0,1|1,0,0]=3 68 B10R1.120 CC1(C)CC(=O)CC[C@@H]1O Y10490 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.444 CC1(C)CC(=O)N[C@H]1CN AT19162 [0,1,0,1,0,0|1,0,0]=3 70 B10R1.212 CCOC(=O)C(C)=C1CC1 78565 [0,1,0,1,0,0|0,0,2]=4 71 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C=O AT10666 [0,1,0,1,0,0|0,0,1]=3 72 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CBr AT12587 [0,1,0,1,0,0|0,0,0]=2 73 B10R1.135 CCOC(=O)[C@H]1C[C@H]1C=O AT15567 [0,1,0,1,0,0|0,0,1]=3 74 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CBr F50049 [0,1,0,1,0,0|0,0,0]=2 75 B10R1.181 CCOC(=O)CC1(C)CC1 D88153 [0,1,0,1,0,0|0,0,0]=2 76 B10R1.65 C[Si](C)(C)[C@H]1CCNC1=O C11718 [0,1,0,1,0,0|1,1,0]=4 77 B10R2.71 O=C1CC2CCN(C1)C2 AT25954 [0,0,0,2,0,0|2,0,0]=4 78 B10R2.177 CC12CC(=O)CCC1C2 P13990 [0,0,0,2,0,0|1,0,0]=3 79 B10R2.534 O=C1CCOC2(CC2)C1 AT24691 [0,0,0,2,0,0|2,0,0]=4 80 B6R0.3 COC(=O)[C@H](C)Br AT21844 [1,0,0,0,1,0|1,0,0]=3