Toxicity data
| Name | CAS | Level | Source | Dataset | Smiles |
|---|---|---|---|---|---|
| Benomyl | 17804-35-2 | Moderate | PPDB,C, 10, Moderate; | Positive | O=C(n1c2c(nc1NC(=O)OC)cccc2)NCCCC |
| Ethoprophos | 13194-48-4 | Moderate | PPDB,C, 5.56, Moderate; | Positive | S(P(=O)(SCCC)OCC)CCC |
| Oryzalin | 19044-88-3 | Moderate | PPDB,C, 40.8, Moderate; O, 32, Moderate; | Positive | S(=O)(=O)(N)c1cc([N+](=O)[O-])c(N(CCC)CCC)c([N+](=O)[O-])c1 |
| Sethoxydi | 74051-80-2 | Moderate | PPDB,C, > 10, Moderate; | Positive | CCSC(CC1CC(=C(C(=O)C1)/C(=N/OCC)/CCC)O)C |
| Rotenone | 83-79-4 | Moderate | ECOTOX, | Positive | c12cc(c(cc1OC[C@@H]1[C@H]2C(=O)c2c(O1)c1c(cc2)O[C@H](C1)C(=C)C)OC)OC |
| Terbufos | 13071-79-9 | Moderate | PPDB,C, 4.1, Moderate; | Positive | S(P(=S)(OCC)OCC)CSC(C)(C)C |
| Thifensulfuron-methyl | 79277-27-3 | Moderate | PPDB,C, > 100, Low; O, > 7.1, Moderate; | Positive | S(=O)(=O)(NC(=O)Nc1nc(OC)nc(n1)C)c1c(scc1)C(=O)OC |
| Demeton | 8065-48-3 | Moderate | PPDB,U, > 2.6, Moderate; | Positive | S(P(=O)(OCC)OCC)CCSCC.S(CCOP(=S)(OCC)OCC)CC |
| Endosulfan | 115-29-7 | Moderate | PPDB,C, > 7.81, Moderate; O, > 15.6, Moderate; | Positive | [C@@]12(C(Cl)(Cl)[C@@](C(=C1Cl)Cl)(Cl)[C@H]1CO[S@](=O)OC[C@H]21)Cl |
| Flumetralin | 62924-70-3 | Moderate | ECOTOX, | Positive | Clc1c(CN(c2c([N+](=O)[O-])cc(cc2[N+](=O)[O-])C(F)(F)F)CC)c(F)ccc1 |
| Ethion | 563-12-2 | Moderate | PPDB,U, 20.6, Moderate; | Positive | S(P(=S)(OCC)OCC)CSP(=S)(OCC)OCC |
| Arsenic acid | 7778-39-4 | Moderate | ECOTOX, | Positive | [As](=O)(O)(O)O |
| Dazome | 533-74-4 | Moderate | PPDB,C, > 24, Moderate; | Positive | CN1CN(C)CSC1=S |
| Piperonyl butoxide | 51-03-6 | Moderate | PPDB,C, 294, Low; | Positive | O1c2c(OC1)cc(c(c2)COCCOCCOCCCC)CCC |
| Allethrin, Bioallethrin | 584-79-2 | Moderate | PPDB,C, > 3.4, Moderate; | Positive | O(C(=O)C1C(C1C=C(C)C)(C)C)C1C(=C(C(=O)C1)CC=C)C |
| Triflumizole | 68694-11-1 | Moderate | ECOTOX, | Positive | n1(/C(=N\c2c(C(F)(F)F)cc(cc2)Cl)/COCCC)cncc1 |
| DDT | 50-29-3 | Moderate | PPDB,C, 0.54, High; | Positive | ClC(Cl)(Cl)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
| Pirimicarb | 23103-98-2 | Moderate | PPDB,C, 53.1, Moderate; O, 4.0, Moderate; | Positive | CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C |
| Bifenazate | 149877-41-8 | Moderate | PPDB,C, > 8.50, Moderate; O, > 98.0, Moderate; | Positive | COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1 |
| Parathion-methyl | 298-00-0 | Moderate | PPDB,C, 19.5, Moderate; | Positive | S=P(Oc1ccc([N+](=O)[O-])cc1)(OC)OC |
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