Table 2 The top 50 of the identified compounds
Chemical ID | Chemical name | NES | P |
|---|---|---|---|
C006551 | 2-Amino-2-methyl-1-propanol | 339.36 | 1.00 × 10−4 |
D002118 | Calcium | 15.10 | 1.00 × 10−4 |
C483909 | Torcetrapib | 12.84 | 1.00 × 10−4 |
D001104 | Arbutin | 12.17 | 1.00 × 10−4 |
D048628 | Ketolides | 7.475 | 1.00 × 10−4 |
C511621 | 2-Methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amide | 6.64 | 1.00 × 10−4 |
D019324 | Beta-naphthoflavone | 6.48 | 1.00 × 10−4 |
D006830 | Hydralazine | 5.51 | 1.00 × 10−4 |
C051246 | 1-Methylanthracene | 6.39 | 2.00 × 10−4 |
C036042 | Dicyclohexyl phthalate | 6.21 | 2.00 × 10−4 |
D007649 | Ketamine | 5.86 | 3.00 × 10−4 |
C029892 | Cupric chloride | 5.77 | 3.00 × 10−4 |
D002995 | Clofibric acid | 5.70 | 3.00 × 10−4 |
C052901 | Lemongrass oil | 9.05 | 4.00 × 10−4 |
D008713 | Methimazole | 7.64 | 5.00 × 10−4 |
D014303 | Trinitrotoluene | 5.61 | 5.00 × 10−4 |
D011345 | Fenofibrate | 5.30 | 5.00 × 10−4 |
D002065 | Buspirone | 4.59 | 5.00 × 10−4 |
D009853 | Omeprazole | 6.08 | 6.00 × 10−4 |
D008628 | Mercury | 5.19 | 6.00 × 10−4 |
D003999 | Dichloroacetic acid | 4.98 | 6.00 × 10−4 |
C029424 | Hydrazine | 2.72 | 6.00 × 10−4 |
C038753 | Leptomycin B | 19.31 | 8.00 × 10−4 |
D010081 | Oxazolone | 6.98 | 1.10 × 10−3 |
C013698 | Tallow | 6.52 | 1.10 × 10−3 |
D001507 | Beclomethasone | 6.28 | 1.10 × 10−3 |
D006160 | Guanosine triphosphate | 0.53 | 1.10 × 10−3 |
D000244 | Adenosine diphosphate | 5.81 | 1.20 × 10−3 |
C548651 | 2-(1′H-indole-3′-carbonyl)thiazole-4-carboxylic acid methyl ester | 4.48 | 1.20 × 10−3 |
C001277 | Geldanamycin | 5.66 | 1.30 × 10−3 |
D002330 | Carmustine | 4.96 | 1.30 × 10−3 |
C018637 | Phorone | 8.24 | 1.50 × 10−3 |
D017239 | Paclitaxel | 4.03 | 1.50 × 10−3 |
C494474 | Perchlorate | 8.51 | 1.60 × 10−3 |
C502851 | Quinocetone | 6.07 | 1.70 × 10−3 |
C005219 | Methyl cellosolve | 4.69 | 1.70 × 10−3 |
C025256 | Nonylphenol | 4.35 | 1.80 × 10−3 |
C013418 | Bromfenacoum | 4.01 | 1.80 × 10−3 |
D000109 | Acetylcholine | 2.30 | 1.80 × 10−3 |
C032668 | 1-Nitropyrene | 6.28 | 1.80 × 10−3 |
D008274 | Magnesium | 3.51 | 2.00 × 10−3 |
D010672 | Phenytoin | 4.87 | 2.10 × 10−3 |
D020001 | 1-Butanol | 3.92 | 2.10 × 10−3 |
C019499 | 2-Nitrofluorene | 6.20 | 2.20 × 10−3 |
C002741 | N-nitrosomorpholine | 4.57 | 2.20 × 10−3 |
C016151 | Tinuvin | 4.40 | 2.20 × 10−3 |
D008383 | Margarine | 1.49 | 2.20 × 10−3 |
C576882 | 1-(2-Trifluoromethoxyphenyl)-2-nitroethanone | 5.70 | 2.30 × 10−3 |
D020245 | p-chloromercuribenzoic acid | 4.12 | 2.30 × 10−3 |