0 B9R0.7 CC(=O)CCC(F)=C(F)F 2317-3-01 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.7 CC(=O)N(C)CCC(=O)O 4158-1-X3 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.7 O=C(O)CCC(=O)C(=O)O 2129-1-00 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.7 O=C(O)CCC(F)=C(F)F 2321-3-05 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.9 NCC(=O)NCC(=O)O 4157-1-X3 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.28 N=C(N)NCCC(=O)O 4158-1-49 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.28 O=C(O)CSCC(=O)O 6166-1-X2 [1,0,0,0,0,0|1,0,1]=3 8 B10R0.43 CC(C)(CCC(=O)O)C(=O)O 2121-1-X6 [0,1,0,0,0,0|1,0,1]=3 9 B10R0.92 CP(=O)(O)CCC(N)C(=O)O 8174-1-00 [0,1,0,0,0,0|2,0,1]=4 10 B10R0.93 NC(CC(F)C(=O)O)C(=O)O 4157-3-08 [0,1,0,0,0,0|1,0,1]=3 11 B10R1.13 O=C1CCC(C(=O)O)CC1 2H29-1-01 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.349 CC(=O)N1CC(C(=O)O)C1 4H58-1-146 [0,0,0,1,0,0|3,0,0]=4 13 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 2129-1-49 [0,0,0,0,1,0|0,0,2]=3 14 B10R0.98 O=C(O)CONC(=O)C(=O)O 4156-1-W0 [0,0,0,0,0,1|1,0,0]=2 15 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [2,0,0,0,0,0|1,0,1]=4 16 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.6 O=C(O)\C=C/C(=O)O 2321-1-07 [2,0,0,0,0,0|0,0,2]=4 18 B9R0.1 COC(=O)CCCC(C)=O 2129-1-1R [1,1,0,0,0,0|1,0,1]=4 19 B9R0.11 CC(C)(CC(=O)O)C(=O)O 2121-1-16 [0,1,0,0,1,0|1,0,1]=4 20 B9R0.11 O=C(O)CC(F)(F)C(=O)O 2121-3-07 [0,1,0,0,1,0|1,0,1]=4 21 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 2129-1-S1 [0,1,0,0,1,0|0,0,2]=4 22 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 4222-1-03 [0,1,0,0,1,0|0,0,2]=4 23 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 2129-1-R1 [0,1,0,0,1,0|0,0,2]=4 24 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC 4158-5-RE [0,2,0,0,0,0|1,0,1]=4 25 B9R1.6 O=C(O)C1=COCCC1 2H21-1-36 [1,0,0,1,0,0|1,0,1]=4 26 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [1,0,0,1,0,0|1,0,1]=4 27 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [1,0,0,1,0,0|0,0,2]=4 28 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O 2121-1-Z1 [1,0,0,1,0,0|1,0,1]=4 30 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 2229-1-X6 [0,0,0,1,0,1|1,0,0]=3 31 B11R1.645 NC1=NC(=O)C(CC(=O)O)S1 8H70-1-9J [0,0,0,1,0,1|1,1,0]=4 32 B11R1.645 O=C(O)CC1SC(S)=NC1=O 8H70-1-9K [0,0,0,1,0,1|0,2,0]=4 33 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 2221-1-Y2 [0,0,0,1,0,1|1,0,1]=4 34 B9R0.55 CC(=O)CCCCC(=O)O 2121-1-X0 [1,0,0,0,0,1|1,0,1]=4