Toxicity data
| Name | CAS | Level | Source | Dataset | Smiles |
|---|---|---|---|---|---|
| Furalaxyl-M | 57764-08-6 | Moderate | PPDB,C, > 5, Moderate; O, > 5, Moderate; | Positive | N(C(=O)c1occc1)(c1c(cccc1C)C)[C@@H](C(=O)OC)C |
| Furalaxyl | 57646-30-7 | Moderate | PPDB,O, > 5, Moderate; | Positive | o1c(C(=O)N(c2c(cccc2C)C)C(C(=O)OC)C)ccc1 |
| Meptyldinocap | 131-72-6 | Moderate | PPDB,C, 29.3, Moderate; O, 6.4, Moderate; | Positive | c1(c(c(cc([N+](=O)[O-])c1)C(CCCCCC)C)OC(=O)/C=C/C)[N+](=O)[O-] |
| Ioxynil sodiu | 2961-62-8 | Moderate | PPDB,C, > 10.0, Moderate; | Positive | c1(c(cc(C#N)cc1I)I)[O-].[Na+] |
| Mesosulfuron | 400852-66-6 | Moderate | PPDB,C, > 13, Moderate; O, > 5.6, Moderate; | Positive | S(=O)(=O)(NC(=O)Nc1nc(cc(n1)OC)OC)c1c(C(=O)O)ccc(c1)CNS(=O)(=O)C |
| Tribenuron | 106040-48-6 | Moderate | PPDB,C, > 9.1, Moderate; O, > 98.4, Moderate; | Positive | COc1nc(nc(C)n1)N(C)C(=O)NS(=O)(=O)c1c(cccc1)C(=O)O |
| Diflumetori | 130339-07-0 | Moderate | PPDB,O, 10, Moderate; | Positive | c1(c(c(ncn1)C)Cl)NC(c1ccc(OC(F)F)cc1)CC |
| Sulfluramid | 4151-50-2 | Moderate | PPDB,U, > 5.0, Moderate; | Positive | S(=O)(=O)(NCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| Alpha-endosulfan | 959-98-8 | Moderate | PPDB,C, 7.81, Moderate; | Positive | C1[C@@H]2[C@H](COS(=O)O1)[C@@]1(C(=C([C@]2(C1(Cl)Cl)Cl)Cl)Cl)Cl |
| Vernolate | 1929-77-7 | Moderate | PPDB,U, 11.0, Moderate; | Positive | O=C(SCCC)N(CCC)CCC |
| Molinate | 2212-67-1 | Moderate | PPDB,O, > 11.0, Moderate; | Positive | O=C(N1CCCCCC1)SCC |
| Dioxacarb | 6988-21-2 | Moderate | PPDB,U, Toxic, High; | Positive | O1C(OCC1)c1c(OC(=O)NC)cccc1 |
| Chlordane | 57-74-9 | Moderate | PPDB,C, 6.0, Moderate; | Positive | ClC12C(Cl)(Cl)C(Cl)(C3C1C(Cl)C(Cl)C3)C(=C2Cl)Cl |
| Sulprofos | 35400-43-2 | Moderate | PPDB,U, > 7.22, Moderate; | Positive | S(P(=S)(Oc1ccc(SC)cc1)OCC)CCC |
| Thifensulfuron | 79277-67-1 | Moderate | PPDB,C, > 100, Low; O, > 7.1, Moderate; | Positive | s1ccc(c1C(=O)O)S(=O)(=O)NC(=O)Nc1nc(nc(n1)C)OC |
| Profluralin | 26399-36-0 | Moderate | PPDB,U, Toxic, High; | Positive | FC(F)(F)c1cc([N+](=O)[O-])c(N(CC2CC2)CCC)c([N+](=O)[O-])c1 |
| Tebufenpyrad | 119168-77-3 | Moderate | PPDB,C, 6.7, Moderate; O, 60.3, Moderate; | Positive | O=C(NCc1ccc(C(C)(C)C)cc1)c1c(Cl)c(nn1C)CC |
| Fenpiclonil | 74738-17-3 | Moderate | PPDB,O, 5, Moderate; | Positive | Clc1c(c2c(c[nH]c2)C#N)cccc1Cl |
| Anilofos | 64249-01-0 | Moderate | PPDB,C, 5.9, Moderate; | Positive | Clc1ccc(N(C(=O)CSP(=S)(OC)OC)C(C)C)cc1 |
| Ioxynil | 1689-83-4 | Moderate | PPDB,O, 10.1, Moderate; | Positive | Oc1c(I)cc(cc1I)C#N |
237 ,
12
