0 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 4158-1-S9 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 CC(=O)N[C@H](C)C(=O)O 4158-1-59 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [0,0,0,0,0,0|1,0,0]=1 3 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 2129-1-49 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.2 CN(C)CC(O)CO 4156-1-0H [1,0,0,0,0,0|2,0,1]=4 5 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [1,0,0,0,0,0|0,0,0]=1 7 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [1,0,0,0,0,0|1,0,0]=2 10 B7R0.5 O=C(Cl)C(Br)CCBr 2116-D-00 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [1,0,0,0,0,0|1,0,0]=2 14 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [1,0,0,0,0,0|2,0,0]=3 15 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [1,0,0,0,0,0|1,0,0]=2 18 B9R0.23 COC(=O)[C@@H](N)CC(C)C 4158-5-SG [0,1,0,0,0,0|0,0,0]=1 19 B9R0.23 COC(=O)[C@H](N)CC(C)C 4158-5-RG [0,1,0,0,0,0|0,0,0]=1 20 B9R0.42 COC(=O)C[C@H](N)C(=O)O 4157-5-S2 [0,1,0,0,0,0|1,0,1]=3 21 B9R0.57 CC(CC(F)(F)F)C(=O)O 2121-3-41 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.57 NC(CC(F)(F)F)C(=O)O 4157-3-03 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.57 O=C(O)C(Br)CC(F)(F)F 2121-B-04 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 4248-7-01 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 4H57-1-31 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4H57-1-S2 [0,0,0,1,0,0|1,0,0]=2 28 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H57-1-W9 [0,0,0,1,0,0|1,0,0]=2 29 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H58-5-BT [0,0,0,1,0,0|1,0,0]=2 30 B9R1.164 CC1(C)CC(C(=O)O)C1 2221-1-27 [0,0,0,1,0,0|1,0,0]=2 31 B9R1.164 O=C(O)C1CC(F)(F)C1 2221-3-04 [0,0,0,1,0,0|3,0,0]=4 32 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [0,0,0,0,1,0|1,0,0]=2 33 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [0,0,0,0,1,0|1,0,0]=2 34 B7R0.16 CN(C)C(=O)C(=O)O 4156-1-Z5 [0,0,0,0,1,0|2,0,1]=4 35 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [0,0,0,0,1,0|1,0,0]=2 36 B6R0.1 CCCC(O)CO 2104-1-0A [2,0,0,0,0,0|1,0,1]=4 37 B6R0.2 CC(=O)CC(C)C 2118-1-02 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.2 CC(C)CB(O)O 6160-1-X3 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [2,0,0,0,0,0|0,0,1]=3 40 B6R0.2 CC(O)CC(C)O 2104-1-X3 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.2 C[C@@H](O)C[C@@H](C)O 2104-1-28 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 C#CCCC(=O)O 2521-1-02 [2,0,0,0,0,0|0,0,2]=4 43 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 CC(=O)CCCCl 2117-5-52 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 CC(C)OCCO 2107-1-0H [2,0,0,0,0,0|1,0,1]=4 46 B6R0.4 CCC#CC(=O)O 2521-1-12 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.4 CCCCB(O)O 6160-1-06 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.4 CCCCC(=O)O 2121-1-0C [2,0,0,0,0,0|0,0,0]=2 49 B6R0.4 CCCOC(C)=O 2123-1-32 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 CCOCC(=O)Cl 2116-5-0F [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 CN(C)CCCO 4156-1-40 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 CNCCC(N)=O 4148-1-30 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 NCCCC(=O)O 4157-1-X2 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.3 CCC(N)C(=O)O 4157-1-16 [2,0,0,0,0,0|0,0,0]=2 56 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [2,0,0,0,0,0|1,0,0]=3 57 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.3 NCC(F)C(=O)O 4157-3-02 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [2,0,0,0,0,0|0,0,0]=2 61 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [2,0,0,0,0,0|0,0,0]=2 62 B8R0.3 COCC(Br)C(=O)OC 2123-9-23 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.9 COC(=O)\C=C\C(C)C 2323-1-X3 [1,1,0,0,0,0|0,0,2]=4 64 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.29 CC(C)(C)OCC(=O)O 2121-1-X5 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.29 O=C(O)CCC(F)(F)F 2121-3-44 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 4157-1-34 [0,1,0,0,1,0|0,0,0]=2 68 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 4157-1-04 [0,1,0,0,1,0|0,0,0]=2 69 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O 8157-1-X0 [0,1,0,0,1,0|0,0,0]=2 70 B8R0.27 NC(C(=O)O)C(F)(F)F 4157-3-05 [0,1,0,0,1,0|2,0,0]=4 71 B8R0.27 NC(C(=O)O)C(F)(F)F 4157-7-33 [0,1,0,0,1,0|2,0,0]=4 72 B10R0.92 CP(=O)(O)CCC(N)C(=O)O 8174-1-00 [0,1,0,0,0,1|2,0,0]=4 73 B10R0.92 NC(CCC(F)(F)F)C(=O)O 4157-3-13 [0,1,0,0,0,1|2,0,0]=4 74 B10R0.32 CCOC(=O)[C@H](N)CC(C)C 4158-5-RA [0,2,0,0,0,0|0,0,0]=2 75 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.5 CC1CCCCC1=O 2217-1-1E [1,0,0,1,0,0|2,0,0]=4 77 B8R1.5 NC1CCCCC1O 4256-1-X3 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.5 NC1CCCNC1=O 4H48-1-3C [1,0,0,1,0,0|1,0,0]=3 79 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-1-48 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-5-36 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.5 N[C@H]1CCCC[C@H]1O 4256-5-49 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [1,0,0,1,0,0|2,0,0]=4 83 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.7 O=C(O)C1NCCS1 8H21-1-73 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [1,0,0,1,0,0|0,0,0]=2 91 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [1,0,0,1,0,0|0,0,0]=2 93 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.78 CC1(C(=O)O)COC1 2H21-1-42 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [1,0,0,1,0,0|2,0,0]=4 99 B8R1.77 O=C(O)C1CC1(F)Cl 2221-7-X0 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.77 O=C(O)C1CC1(F)F 2221-3-X2 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.77 [C@H]1(C(N)=O)CC1(C)C 4248-1-S1 [1,0,0,1,0,0|1,0,0]=3 102 B10R1.13 CC1CCC(C(=O)O)CC1 2221-1-0A [0,0,0,1,0,1|1,0,0]=3 103 B10R1.13 CN1CCC(C(=O)O)CC1 4H21-5-Z0 [0,0,0,1,0,1|2,0,0]=4 104 B10R1.13 CN1CCC(C(=O)O)CC1 P311-A-68 [0,0,0,1,0,1|2,0,0]=4 105 B10R1.13 NC1CCC(C(=O)O)CC1 4257-1-03 [0,0,0,1,0,1|2,0,0]=4 106 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 4257-1-05 [0,0,0,1,0,1|2,0,0]=4 107 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 G311-A-62 [0,0,0,1,0,1|2,0,0]=4 108 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-30 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 4H29-5-X3 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 4H29-5-X1 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 4H29-5-X2 [0,1,0,1,0,0|1,0,0]=3 112 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-1-T0 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,1,0,1,0,0|2,0,0]=4