Toxicity data
| Name | CAS | Level | Source | Dataset | Smiles |
|---|---|---|---|---|---|
| Silthiofa | 175217-20-6 | Low | PPDB,C, > 100, Low; O, > 105.7, Low; | Negative | c1(c(c(c(s1)C)C)C(=O)NCC=C)[Si](C)(C)C |
| Bupirimate | 41483-43-6 | Low | PPDB,C, > 50, Moderate; O, > 200, Low; | Negative | S(=O)(=O)(Oc1nc(nc(c1CCCC)C)NCC)N(C)C |
| Acetic acid | 64-19-7 | Low | PPDB,C, > 96, Moderate; O, > 110, Low; | Negative | O=C(O)C |
| Warfarin | 81-81-2 | Low | PPDB,U, > 100, Low; | Negative | c1(c(c2c(oc1=O)cccc2)O)[C@@H](CC(=O)C)c1ccccc1 |
| Binapacryl | 485-31-4 | Low | PPDB,C, > 50, Moderate; | Negative | O(c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C(CC)C)C(=O)C=C(C)C |
| Piproctanyl bromide | 56717-11-4 | Low | PPDB,C, > 100, Low; U, Non-toxic, Low; | Negative | [Br-].[N+]1(CCCCC1)(CCC(CCCC(C)C)C)CC=C |
| Fomesafen | 72178-02-0 | Low | PPDB,O, 50, Moderate; | Negative | Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F |
| Benthiavalicarb isopropyl | 177406-68-7 | Low | PPDB,C, > 100, Low; O, > 100, Low; | Negative | s1c2c(nc1[C@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C)ccc(F)c2 |
| Epoxiconazole | 135319-73-2 | Low | PPDB,C, > 100, Low; O, > 83, Moderate; | Negative | Clc1c([C@@H]2O[C@]2(Cn2ncnc2)c2ccc(F)cc2)cccc1 |
| Dioxathion | 78-34-2 | Low | PPDB,U, > 50, Moderate; | Negative | S(P(=S)(OCC)OCC)C1OCCOC1SP(=S)(OCC)OCC |
| Diniconazole-M | 83657-18-5 | Low | PPDB,C, > 20, Moderate; | Negative | C(=C\c1c(cc(cc1)Cl)Cl)(/n1ncnc1)\[C@@H](C(C)(C)C)O |
| Triclopyr triethylammoniu | 57213-69-1 | Low | PPDB,C, > 100, Low; | Negative | n1c(c(cc(c1Cl)Cl)Cl)OCC(=O)[O-].[NH+](CC)(CC)CC |
| Fenclori | 3740-92-9 | Low | PPDB,C, 20, Moderate; | Negative | Clc1cc(Cl)nc(n1)c1ccccc1 |
| Di-1-p-menthene | 34363-01-4 | Low | PPDB,U, 200, Low; | Negative | C1(C(C)C)CCC(=CC1)C |
| Trifloxysulfuron-sodiu | 199119-58-9 | Low | PPDB,O, > 25, Moderate; | Negative | S(=O)(=O)(c1ncccc1OCC(F)(F)F)NC(=O)[N-]c1nc(cc(n1)OC)OC.[Na+] |
| Penconazole | 66246-88-6 | Low | PPDB,C, > 30, Moderate; O, > 112, Low; | Negative | Clc1c(C(Cn2ncnc2)CCC)ccc(Cl)c1 |
| Iprobenfos | 26087-47-8 | Low | PPDB,U, > 37.3, Moderate; | Negative | S(P(=O)(OC(C)C)OC(C)C)Cc1ccccc1 |
| Ethoxysulfuron | 126801-58-9 | Low | PPDB,C, > 200, Low; O, > 1000, Low; | Negative | S(=O)(=O)(Oc1c(OCC)cccc1)NC(=O)Nc1nc(OC)cc(OC)n1 |
| Proximpha | 2828-42-4 | Low | PPDB,U, Non-toxic, Low; | Negative | O(N=C(C)C)C(=O)Nc1ccccc1 |
| Calcium chloride | 10043-52-4 | Low | PPDB,U, > 100, Low; | Negative | [Cl-].[Cl-].[Ca+2] |
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