0 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,0,0,0,0,0|1,0,1]=2 1 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,0,0,0,0,0|2,0,1]=4 3 B7R0.5 CCCC(F)=C(F)F 1300-3-00 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.10 CN[C@H](C)C(=O)OC 4158-5-RJ [1,0,0,0,0,0|3,0,0]=4 6 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [1,0,0,0,0,0|3,0,0]=4 7 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [1,0,0,0,0,0|1,0,1]=3 8 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [0,0,0,1,0,0|2,0,1]=4 11 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [0,0,0,1,0,0|1,0,1]=3 12 B9R1.96 CCN1CC[C@H]1C(=O)O 4H21-1-SD [0,0,0,1,0,0|2,0,1]=4 13 B9R1.110 N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [0,0,0,1,0,0|1,0,1]=3 14 B9R1.110 N[C@@H](C(=O)O)C1COC1 4H57-1-74 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.110 N[C@H](C(=O)O)C1CCC1 4257-1-S4 [0,0,0,1,0,0|1,0,1]=3 16 B9R1.110 N[C@H](C(=O)O)C1COC1 4H57-1-S4 [0,0,0,1,0,0|2,0,1]=4 17 B6R0.4 O=C(O)\C=C\CCl 2321-5-03 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.3 CCC(F)C(=O)O 2121-3-0L [2,0,0,0,0,0|1,0,0]=3 19 B6R0.3 NC(CF)C(=O)O 4157-3-01 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [1,1,0,0,0,0|1,0,1]=4 21 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [1,1,0,0,0,0|1,0,1]=4 22 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [1,1,0,0,0,0|1,0,1]=4 23 B8R0.18 CC(C)=C(C#N)C(=O)O 4337-1-08 [1,1,0,0,0,0|1,0,1]=4 24 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC 4157-5-0E [0,2,0,0,0,0|1,0,1]=4 25 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [1,0,0,1,0,0|1,0,1]=4 28 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [1,0,0,1,0,0|1,0,1]=4 29 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.38 O=C(CBr)C1CCC1 2217-9-0A [1,0,0,1,0,0|1,0,1]=4 33 B10R1.204 C[C@H](NC1CCC1)C(=O)O 4258-1-49 [0,0,0,1,0,1|1,0,1]=4 34 B10R1.204 NC(CC1CCC1)C(=O)O 4257-1-24 [0,0,0,1,0,1|1,0,1]=4 35 B10R1.23 NC(C(=O)O)C1CCCC1 4257-1-22 [0,1,0,1,0,0|1,0,1]=4 36 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 4257-1-R5 [0,1,0,1,0,0|1,0,1]=4 37 B10R1.23 O=C(O)C(Br)C1CCCC1 2221-9-00 [0,1,0,1,0,0|1,0,1]=4 38 B10R1.182 CON(C)C(=O)C1CCC1 4248-1-22 [0,1,0,1,0,0|2,0,0]=4 39 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O 4H21-1-SB [0,1,0,1,0,0|1,0,1]=4 40 B10R1.128 CC1(C)CCCC1C(=O)O 2221-1-13 [0,1,0,1,0,0|1,0,1]=4 41 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 4H21-1-0E [0,0,0,2,0,0|1,0,1]=4 42 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O 4H21-1-FF [0,0,0,2,0,0|1,0,1]=4