Toxicity data
Name | CAS | Level | Source | Dataset | Smiles |
---|---|---|---|---|---|
Cyphenothrin | 39515-40-7 | High | PPDB,U, 2.0, Moderate; | Positive | O(C(=O)C1C(C1C=C(C)C)(C)C)C(c1cc(Oc2ccccc2)ccc1)C#N |
Mephosfolan | 950-10-7 | High | PPDB,C, 0.0035, High; | Positive | S1/C(=N/P(=O)(OCC)OCC)/SCC1C |
Chlorobenzilate | 510-15-6 | High | PPDB,U, 1.01, Moderate; | Positive | Clc1ccc(C(O)(c2ccc(Cl)cc2)C(=O)OCC)cc1 |
Lead arsenate | 7784-40-9 | High | PPDB,U, < 2.0, Moderate; | Positive | [Pb+2].[As](=O)(O)([O-])[O-] |
Promecarb | 2631-37-0 | High | PPDB,U, 1.1, Moderate; | Positive | O(c1cc(cc(c1)C)C(C)C)C(=O)NC |
Carbophenothion | 786-19-6 | High | PPDB,C, < 1.4, Moderate; | Positive | Clc1ccc(SCSP(=S)(OCC)OCC)cc1 |
Climbazole | 38083-17-9 | High | PPDB,C, 1.0, Moderate; | Positive | CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1 |
Spinetora | 935545-74-7 | High | PPDB,C, 0.024, High; O, 0.14, High; | Positive | [C@@H]12[C@H](CC[C@@H]3[C@H]1C=C1C(=O)[C@H](C)[C@H](CCC[C@@H](OC(=O)C[C@@H]31)CC)O[C@@H]1O[C@@H]([C@H](CC1)N(C)C)C)C[C@@H](O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1OC)OCC)OC)C)C2 |
Lithium perfluorooctane sulfonate | 29457-72-5 | High | PPDB,O, 0.40, High; | Positive | C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)[O-])(F)F.[Li+] |
Isoprocarb | 2631-40-5 | High | PPDB,C, > 2.0, Moderate; | Positive | O(c1c(C(C)C)cccc1)C(=O)NC |
Temephos | 3383-96-8 | High | PPDB,C, > 1.55, Moderate; | Positive | S(c1ccc(OP(=S)(OC)OC)cc1)c1ccc(OP(=S)(OC)OC)cc1 |
Transfluthrin | 118712-89-3 | High | PPDB,C, > 2.0, Moderate; | Positive | ClC(=C[C@H]1C([C@@H]1C(=O)OCc1c(F)c(F)cc(F)c1F)(C)C)Cl |
Demeton-S-methyl | 919-86-8 | High | PPDB,C, 26.7, Moderate; O, > 0.19, High; | Positive | S(P(=O)(OC)OC)CCSCC |
Mexacarbate | 315-18-4 | High | PPDB,U, 0.302, High; | Positive | O(c1cc(c(N(C)C)c(c1)C)C)C(=O)NC |
Fensulfothion | 115-90-2 | High | PPDB,U, 0.337, High; | Positive | S=P(OCC)(Oc1ccc(S(=O)C)cc1)OCC |
Cadusafos | 95465-99-9 | High | PPDB,C, 1.08, Moderate; O, 2.07, Moderate; | Positive | O=P(SC(C)CC)(SC(C)CC)OCC |
Flufenprox | 107713-58-6 | High | PPDB,U, 0.03, High; | Positive | Clc1ccc(Oc2cc(COCC(c3ccc(OCC)cc3)C(F)(F)F)ccc2)cc1 |
Isopropalin | 33820-53-0 | High | PPDB,U, 0.011, High; | Positive | [O-][N+](=O)c1c(N(CCC)CCC)c([N+](=O)[O-])cc(c1)C(C)C |
Beta-cyfluthrin | 1820573-27-0 | High | PPDB,C, 0.001, High; O, 0.05, High; | Positive | O=C(O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1)[C@@H]1C(C)(C)C1C=C(Cl)Cl |
Bromophos-ethyl | 4824-78-6 | High | PPDB,C, > 0.44, High; | Positive | Brc1c(Cl)cc(OP(=S)(OCC)OCC)c(Cl)c1 |
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