Table 1.
Mol No. | Environmental Toxicants | SMILES |
---|---|---|
1 | 4-bromodiphenylether | C1=CC=C(C=C1)OC2=CC=C(C=C2)Br |
2 | 4-nonylphenol | CCCCCCCCCC1=CC=C(C=C1)O |
3 | 4-octylphenol | CCCCCCCCC1=CC=C(C=C1)O |
4 | 4-tert-butylphenol | CC(C)(C)C1=CC=C(C=C1)O |
5 | Bisphenol A | CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
6 | Dichlorodiphenyldichloroethane | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl |
7 | Dichlorodiphenyltrichloroethane | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl |
8 | Dichlorodiphenyldichloroethylene | C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl |
9 | Diethylhexyl phthalate | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC |
10 | Diethylstilbestrol | CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
11 | Dimethyl phthalate | COC(=O)C1=CC=CC=C1C(=O)OC |
12 | Heptachlor | C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl |
13 | Methoxychlor | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl |
14 | O-phenylphenol | C1=CC=C(C=C1)C2=CC=CC=C2O |
15 | Perfluorooctanoic acid | C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O |
16 | Permethrin | CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C |
17 | Tetrachlorodibenzodioxin | C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl |
18 | Tetrachloroethylene | C(=C(Cl)Cl)(Cl)Cl |
19 | Triphenyltin | C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3 |
Mol No.: Molecule Number.