0 B10R0.96 CC(CCC(=O)O)CC(=O)O CHEBI:68503 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.96 CC(CCC(=O)[O-])CC(=O)[O-] CHEBI:86387 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.55 CC(=O)NCCCC(=O)O CHEBI:17645 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.55 CC(=O)NCCCC(=O)[O-] CHEBI:11951 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.55 CC(=O)O[Hg][Hg]OC(=O)C CHEBI:33210 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.55 [*]C(=O)NCCOC(=O)[*] CHEBI:84481 [1,0,0,0,0,0|3,0,0]=4 6 B11R0.143 [*]C(=O)OCC(CO)OC(=O)[*] CHEBI:49172 [0,1,0,0,0,0|2,0,0]=3 7 B11R0.143 [*]C(=O)OCC(CO)OC(=O)[*] CHEBI:75531 [0,1,0,0,0,0|2,0,0]=3 8 B11R0.143 [*]C(=O)OC[C@@H](CO)OC(=O)[*] CHEBI:75524 [0,1,0,0,0,0|2,0,0]=3 9 B11R0.143 [*]C(=O)OC[C@H](CO)OC(=O)[*] CHEBI:17815 [0,1,0,0,0,0|2,0,0]=3 10 B11R0.143 [*]C(=O)O[C@@H](CO)COC(=O)[*] CHEBI:84974 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.7 C([C@@H](C(=O)O)N)OC(=O)N CHEBI:15970 [0,0,0,0,1,0|3,0,0]=4 12 B9R0.7 C([C@@H](C(=O)[O-])[NH3+])OC(=O)N CHEBI:57594 [0,0,0,0,1,0|3,0,0]=4 13 B9R0.7 CC(=O)CCC(C(=O)O)N CHEBI:19450 [0,0,0,0,1,0|3,0,0]=4 14 B9R0.7 CC(=O)CCC(C(=O)[O-])N CHEBI:1010 [0,0,0,0,1,0|3,0,0]=4 15 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N CHEBI:17981 [0,0,0,0,1,0|2,0,0]=3 16 B9R0.7 CC(=O)OC[C@@H](C(=O)[O-])[NH3+] CHEBI:58340 [0,0,0,0,1,0|2,0,0]=3 17 B9R0.7 CC(CCC(=O)O)C(=O)O CHEBI:68567 [0,0,0,0,1,0|3,0,0]=4 18 B9R0.7 CC(CCC(=O)[O-])C(=O)[O-] CHEBI:84980 [0,0,0,0,1,0|3,0,0]=4 19 B9R0.7 CC(CNC(=O)N)C(=O)O CHEBI:1670 [0,0,0,0,1,0|3,0,0]=4 20 B9R0.7 CC(CNC(=O)N)C(=O)[O-] CHEBI:74414 [0,0,0,0,1,0|3,0,0]=4 21 B9R0.53 CC(=O)CC(CC(=O)O)O CHEBI:37032 [0,0,0,0,1,0|3,0,0]=4 22 B9R0.53 CC(=O)CC(CC(=O)[O-])O CHEBI:20051 [0,0,0,0,1,0|3,0,0]=4 23 B9R0.53 CC(CC(=O)O)CC(=O)O CHEBI:68566 [0,0,0,0,1,0|3,0,0]=4 24 B11R0.6 CC(C)CCCC(C)OC(=O)C CHEBI:87332 [0,0,0,0,0,1|2,0,1]=4 25 B11R0.85 [*]C(=O)OCC(COC(=O)[*])O CHEBI:47777 [0,0,0,0,0,1|3,0,0]=4 26 B11R0.85 [*]C(=O)OC[C@H](COC(=O)[*])O CHEBI:77272 [0,0,0,0,0,1|3,0,0]=4 27 B8R0.7 CC(=O)NCCCC=O CHEBI:7386 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.7 CC(=O)OCCCC=C CHEBI:87515 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.7 CC(=O)OCCCSC CHEBI:87281 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.7 CCCCCOC(=O)C CHEBI:87362 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.9 CCC(C)COC(=O)C CHEBI:50585 [2,0,0,0,0,0|0,0,1]=3 32 B10R0.98 CC(=O)OCCC(C(=O)O)N CHEBI:7671 [1,1,0,0,0,0|2,0,0]=4 33 B10R0.98 CC(=O)OCCC(C(=O)[O-])[NH3+] CHEBI:132989 [1,1,0,0,0,0|2,0,0]=4 34 B10R0.98 CC(=O)OCC[C@@H](C(=O)O)N CHEBI:16288 [1,1,0,0,0,0|2,0,0]=4 35 B10R0.98 CC(=O)OCC[C@@H](C(=O)[O-])[NH3+] CHEBI:57716 [1,1,0,0,0,0|2,0,0]=4 36 B10R0.98 CC(=O)OCC[C@H](C(=O)O)N CHEBI:37034 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C CHEBI:50142 [0,1,0,0,1,0|2,0,0]=4 38 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C CHEBI:6804 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.13 C1CC(=O)CCC1C(=O)O CHEBI:1921 [0,0,0,1,1,0|2,0,0]=4 40 B10R1.13 C1CC(=O)CCC1C(=O)[O-] CHEBI:15777 [0,0,0,1,1,0|2,0,0]=4 41 B12R1.1218 CC1CCC(CC(=O)O1)C(=C)C CHEBI:50238 [0,0,0,1,0,1|2,0,0]=4 42 B12R1.1218 C[C@@H]1CC[C@@H](CC(=O)O1)C(=C)C CHEBI:233 [0,0,0,1,0,1|2,0,0]=4 43 B12R1.1218 C[C@@H]1CC[C@H](CC(=O)O1)C(=C)C CHEBI:228 [0,0,0,1,0,1|2,0,0]=4 44 B8R0.28 CC(=CCCC(=O)C)C CHEBI:16310 [1,0,0,0,1,0|2,0,0]=4 45 B8R0.28 CC(=O)CCCC(=O)O CHEBI:15888 [1,0,0,0,1,0|2,0,0]=4 46 B8R0.28 CC(=O)CCCC(=O)[O-] CHEBI:12154 [1,0,0,0,1,0|2,0,0]=4 47 B8R0.28 CC(=O)CCOC(=O)C CHEBI:87390 [1,0,0,0,1,0|0,0,0]=2 48 B8R0.28 CC(=O)NCCC(=O)O CHEBI:16682 [1,0,0,0,1,0|2,0,0]=4 49 B8R0.28 CC(=O)NCCC(=O)[O-] CHEBI:57857 [1,0,0,0,1,0|2,0,0]=4 50 B8R0.28 CC(=O)O[Hg]OC(=O)C CHEBI:33211 [1,0,0,0,1,0|1,0,0]=3 51 B8R0.28 CC(C)CCOC(=O)C CHEBI:31725 [1,0,0,0,1,0|1,0,1]=4 52 B8R0.23 CC(=O)CC(C(=O)O)N CHEBI:15914 [0,0,0,0,2,0|2,0,0]=4 53 B8R0.23 CC(=O)CC(C(=O)[O-])[NH3+] CHEBI:57563 [0,0,0,0,2,0|2,0,0]=4 54 B8R0.23 CC(CC(=O)O)C(=O)O CHEBI:91315 [0,0,0,0,2,0|2,0,0]=4 55 B8R0.23 C[C@@H](C(=O)O)NC(=O)C CHEBI:40992 [0,0,0,0,2,0|2,0,0]=4 56 B8R0.23 C[C@@H](C(=O)[O-])NC(=O)C CHEBI:133520 [0,0,0,0,2,0|2,0,0]=4 57 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CHEBI:91316 [0,0,0,0,2,0|2,0,0]=4 58 B8R0.23 C[C@H](CC(=O)O)C(=O)O CHEBI:91317 [0,0,0,0,2,0|2,0,0]=4 59 B10R0.97 CC(=O)OCCCOC(=O)C CHEBI:87360 [1,0,0,0,0,1|0,0,0]=2