0 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,0,0,0,0,0|0,0,0]=0 1 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [1,0,0,0,0,0|2,0,1]=4 3 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,0,0,0,0,0|2,0,0]=3 5 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [1,0,0,0,0,0|1,0,0]=2 8 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.27 CCC(=O)C(C)C(=O)OC 2129-1-1F [0,1,0,0,0,0|2,0,1]=4 10 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [0,0,0,1,0,0|1,0,0]=2 12 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [0,0,0,1,0,0|0,0,0]=1 13 B9R1.96 CCN1CC[C@H]1C(=O)O 4H21-1-SD [0,0,0,1,0,0|2,0,0]=3 14 B9R1.110 N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [0,0,0,1,0,0|0,0,0]=1 15 B9R1.110 N[C@@H](C(=O)O)C1COC1 4H57-1-74 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.110 N[C@H](C(=O)O)C1CCC1 4257-1-S4 [0,0,0,1,0,0|0,0,0]=1 17 B9R1.110 N[C@H](C(=O)O)C1COC1 4H57-1-S4 [0,0,0,1,0,0|1,0,0]=2 18 B6R0.1 CCC(C)CNC 3131-5-05 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.3 CCC(F)C(=O)O 2121-3-0L [2,0,0,0,0,0|1,0,0]=3 20 B6R0.3 NC(CF)C(=O)O 4157-3-01 [2,0,0,0,0,0|1,0,0]=3 21 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [1,1,0,0,0,0|1,0,0]=3 22 B8R0.19 COC(=O)C[C@@H](O)CCl 2129-5-R0 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.3 C=CC[C@H](N)C(=O)OC 4358-1-S0 [1,1,0,0,0,0|0,0,2]=4 24 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [1,1,0,0,0,0|1,0,0]=3 25 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [1,1,0,0,0,0|0,0,0]=2 26 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [1,1,0,0,0,0|0,0,1]=3 27 B8R0.12 CNCC(F)(F)C(=O)O 4157-7-06 [1,1,0,0,0,0|2,0,0]=4 28 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC 4157-5-0E [0,2,0,0,0,0|0,0,0]=2 29 B10R0.38 COC(=O)C(C)C(OC)OC 2123-1-0U [0,2,0,0,0,0|2,0,0]=4 30 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [1,0,0,1,0,0|0,0,2]=4 31 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [1,0,0,1,0,0|2,0,0]=4 32 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [1,0,0,1,0,0|2,0,0]=4 34 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [1,0,0,1,0,0|2,0,0]=4 36 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [1,0,0,1,0,0|1,0,0]=3 38 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [1,0,0,1,0,0|1,0,0]=3 40 B8R1.34 N=C(N)CC1CCC1 3241-5-01 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [1,0,0,1,0,0|1,0,0]=3 42 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [1,0,0,1,0,0|0,0,0]=2 51 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [1,0,0,1,0,0|0,0,0]=2 52 B8R1.78 CC1(C(=O)O)CNC1 4H58-5-7H [1,0,0,1,0,0|2,0,0]=4 53 B8R1.78 O=C(O)C1(F)CNC1 4H21-3-4U [1,0,0,1,0,0|2,0,0]=4 54 B8R1.38 NC(CO)C1CCC1 4256-5-57 [1,0,0,1,0,0|0,0,1]=3 55 B8R1.38 N[C@@H](CO)C1CCC1 4256-5-R1 [1,0,0,1,0,0|0,0,1]=3 56 B8R1.38 N[C@H](CO)C1CCC1 4256-5-S1 [1,0,0,1,0,0|0,0,1]=3 57 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [0,0,0,1,0,1|2,0,0]=4 58 B10R1.113 [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [0,0,0,1,0,1|2,0,0]=4 59 B10R1.204 C[C@H](NC1CCC1)C(=O)O 4258-1-49 [0,0,0,1,0,1|1,0,0]=3 60 B10R1.204 NC(CC1CCC1)C(=O)O 4257-1-24 [0,0,0,1,0,1|0,0,0]=2 61 B10R1.23 NC(C(=O)O)C1CCCC1 4257-1-22 [0,1,0,1,0,0|0,0,0]=2 62 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 4257-1-R5 [0,1,0,1,0,0|0,0,0]=2 63 B10R1.23 O=C(O)C(Br)C1CCCC1 2221-9-00 [0,1,0,1,0,0|1,0,0]=3 64 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 4257-1-13 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O 4257-5-18 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O 4H21-1-SB [0,1,0,1,0,0|0,0,0]=2 67 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O 4257-5-06 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.128 CC1(C)CCCC1C(=O)O 2221-1-13 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.361 CC(C)N1CC[C@H]1C(=O)O 4H21-1-S8 [0,1,0,1,0,0|2,0,0]=4 70 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 4H21-1-0E [0,0,0,2,0,0|0,0,0]=2 71 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O 4H21-1-FF [0,0,0,2,0,0|0,0,0]=2