0 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [0,0,0,0,0,0|1,0,1]=2 1 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 4158-1-X5 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [1,0,0,0,0,0|1,0,1]=3 4 B7R0.5 CCOC(=O)C(=O)Cl 2116-5-06 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.5 CCOC(=O)C(C)=O 2129-1-01 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.5 CCOC(=O)C(N)=S 8167-1-X0 [1,0,0,0,0,0|2,1,0]=4 7 B7R0.5 CCOC(=O)[C@H](C)O 2129-1-Y5 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [1,0,0,0,0,0|2,0,1]=4 11 B7R0.10 CCC(Br)C(=O)OC 2123-9-13 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.10 CC[C@@H](N)C(=O)OC 4158-5-R8 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.16 CN(C)C(=O)C(=O)O 4156-1-Z5 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.41 CN1CCC[C@H]1C(=O)O 4H58-1-SW [0,0,0,1,0,0|2,0,1]=4 18 B9R1.110 NC(C(=O)O)C1CCC1 4257-1-07 [0,0,0,1,0,0|1,0,1]=3 19 B6R0.1 CCCC(=N)NO 4141-1-X1 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.1 CCCC(=O)NN 4156-1-15 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.1 CCOC(=O)C=O 2323-1-X0 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.2 CC(=O)CC(C)C 2118-1-02 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [2,0,0,0,0,0|0,0,1]=3 24 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.2 CN(C)CC(=O)O 4158-1-40 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.4 CCC#CC(=O)O 2521-1-12 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.4 CCCCC(=O)O 2121-1-0C [2,0,0,0,0,0|0,0,1]=3 28 B6R0.4 CCCOC(C)=O 2123-1-32 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 NCCCC(=O)O 4157-1-X2 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.3 CC(=O)C(=O)CBr 2118-9-01 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.3 CC(C#N)C(=O)O 4137-1-0Z [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 CC(C)C(=N)NO 4156-1-Z3 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.3 CCC(=O)C(C)C 2117-1-18 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.3 CCC(N)C(=O)O 4157-1-16 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [2,0,0,0,0,0|1,0,0]=3 37 B6R0.3 CNC(=O)C(=O)O 4156-1-Y4 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.3 COC(=O)C(=O)Cl 2129-5-0K [2,0,0,0,0,0|2,0,0]=4 40 B6R0.3 C\C=C(/C)C(=O)O 2321-1-17 [2,0,0,0,0,0|0,0,2]=4 41 B6R0.3 C\C=C(/C)C(=O)O 2321-1-E0 [2,0,0,0,0,0|0,0,2]=4 42 B6R0.3 NCC(F)C(=O)O 4157-3-02 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.3 O=C(O)C(=O)CBr 2129-9-X3 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [2,0,0,0,0,0|1,0,0]=3 47 B8R0.3 CCOC(=O)C(=O)CBr 2129-9-X0 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.3 CCOC(=O)\C(Cl)=N\O 4147-5-X1 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 4157-1-34 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 4157-1-04 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O 8157-1-X0 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.27 O=C(O)C(=O)C(F)(F)F 2129-3-21 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.34 O=C(O)C=C1CCC1 2421-1-08 [1,0,0,1,0,0|0,0,1]=3 57 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.5 CC1=CCCCC1=O 2417-1-01 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.5 O=C1CCCCC1=O 2218-1-X7 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.7 O=C(O)C1=COCC1 2H21-1-41 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [1,0,0,1,0,0|0,0,2]=4 64 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [1,0,0,1,0,0|0,0,2]=4 66 B10R1.23 N[C@H](C(=O)O)C1CCCC1 4257-1-S5 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.191 CC1=C(C)C(C)C(C)C1=O 2417-1-04 [0,1,0,1,0,0|2,0,0]=4