Toxicity data
| Name | CAS | Level | Source | Dataset | Smiles |
|---|---|---|---|---|---|
| Mesotrione | 104206-82-8 | Moderate | PPDB,C, > 100, Low; O, > 11, Moderate; | Positive | c1c(c(ccc1S(=O)(=O)C)C(=O)C1C(=O)CCCC1=O)[N+](=O)[O-] |
| Fenarimol | 60168-88-9 | Moderate | PPDB,C, > 100, Low; O, > 10, Moderate; | Positive | Clc1c(C(O)(c2ccc(Cl)cc2)c2cncnc2)cccc1 |
| Famoxadone | 131807-57-3 | Moderate | PPDB,C, > 25, Moderate; O, > 1.0, Moderate; | Positive | N1(C(=O)C(OC1=O)(c1ccc(Oc2ccccc2)cc1)C)Nc1ccccc1 |
| Acetamiprid | 135410-20-7 | Moderate | PPDB,C, 8.09, Moderate; O, 14.53, Moderate; | Positive | C(=N\C#N)(\C)/N(C)Cc1cnc(cc1)Cl |
| Spiroxamine | 118134-30-8 | Moderate | PPDB,C, 4.2, Moderate; O, > 100, Low; | Positive | O1C2(OCC1CN(CCC)CC)CCC(CC2)C(C)(C)C |
| Mesosulfuron-methyl | 208465-21-8 | Moderate | PPDB,C, > 13, Moderate; O, 5.6, Moderate; | Positive | S(=O)(=O)(NC(=O)Nc1nc(cc(n1)OC)OC)c1c(C(=O)OC)ccc(c1)CNS(=O)(=O)C |
| Codlelure | 33956-49-9 | Moderate | ECOTOX, | Positive | C(=C\C)/C=C/CCCCCCCO |
| Phosalone | 2310-17-0 | Moderate | PPDB,C, 4.4, Moderate; O, 102, Low; | Positive | Clc1cc2oc(=O)n(c2cc1)CSP(=S)(OCC)OCC |
| Fenazaquin | 120928-09-8 | Moderate | PPDB,C, 1.21, Moderate; O, 4.29, Moderate; | Positive | O(c1ncnc2c1cccc2)CCc1ccc(C(C)(C)C)cc1 |
| Flutriafol | 76674-21-0 | Moderate | PPDB,C, > 50, Moderate; O, > 2.0, Moderate; | Positive | Fc1c(C(O)(c2ccc(F)cc2)Cn2ncnc2)cccc1 |
| Sedaxane | 874967-67-6 | Moderate | PPDB,C, > 100, Low; O, > 4.0, Moderate; | Positive | FC(F)c1nn(cc1C(=O)Nc1c(C2C(C3CC3)C2)cccc1)C |
| 1,3-dichloropropene | 542-75-6 | Moderate | PPDB,C, 6.6, Moderate; | Positive | ClCC=CCl |
| Thiabendazole | 148-79-8 | Moderate | PPDB,C, > 34, Moderate; O, > 4.0, Moderate; | Positive | c1(c2cscn2)nc2ccccc2[nH]1 |
| Azadirachtin | 11141-17-6 | Moderate | PANPD, Moderately Toxic, Moderately Toxic | Positive | O1[C@@]2([C@]3([C@H]4[C@@]5([C@H]6[C@@H](OC[C@@]6([C@H](OC(=O)C)C[C@@H]5OC(=O)/C(=C/C)/C)C(=O)OC)[C@H]3O)CO[C@]4(O)C(=O)OC)C)[C@@]1([C@@H]1[C@]3(O)[C@H](O[C@H]2C1)OC=C3)C |
| Permethrin | 51877-74-8 | Moderate | PANPD, Moderately Toxic, Slightly to Highly Toxic | Positive | ClC(=C[C@H]1C([C@@H]1C(=O)OCc1cc(Oc2ccccc2)ccc1)(C)C)Cl |
| Zineb | 12122-67-7 | Moderate | PPDB,C, 13.1, Moderate; | Positive | [Zn+2].[S-]C(=S)NCCNC(=S)[S-] |
| Paraqua | 4685-14-7 | Moderate | PPDB,C, 9.26, Moderate; O, > 9.06, Moderate; | Positive | c1(c2cc[n+](cc2)C)cc[n+](cc1)C |
| Sulfuryl fluoride | 2699-79-8 | Moderate | PPDB,C, 6.5, Moderate; | Positive | O=S(=O)(F)F |
| Chlorophacinone | 3691-35-8 | Moderate | PPDB,U, > 11, Moderate; | Positive | Clc1ccc(C(C(=O)C2C(=O)c3c(C2=O)cccc3)c2ccccc2)cc1 |
| Heptopargil | 73886-28-9 | Moderate | PPDB,U, Toxic, High; | Positive | O(/N=C\1/C2(C(C(C1)CC2)(C)C)C)CC#C |
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