Toxicity data
| Name | CAS | Level | Source | Dataset | Smiles |
|---|---|---|---|---|---|
| Streptomycin sesquisulfate | 3810-74-0 | Low | ECOTOX, C, N.R., > 100, UGB; | Negative | S(=O)(=O)(O)O.S(=O)(=O)(O)O.S(=O)(=O)(O)O.O1[C@@H](O[C@@H]2[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2NC)CO)[C@](O)([C@@H]1C)C=O.O1[C@@H](O[C@@H]2[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2NC)CO)[C@](O)([C@@H]1C)C=O |
| Zira | 137-30-4 | Low | PPDB,C, > 100, Low; | Negative | [Zn+2].[S-]C(=S)N(C)C.[S-]C(=S)N(C)C |
| Vinclozolin | 50471-44-8 | Low | PPDB,O, > 100, Low; | Negative | Clc1cc(N2C(=O)C(OC2=O)(C=C)C)cc(Cl)c1 |
| Quizalofop ethyl | 76578-14-8 | Low | PPDB,O, 10, Moderate; | Negative | Clc1cc2ncc(Oc3ccc(OC(C(=O)OCC)C)cc3)nc2cc1 |
| Lactofen | 77501-63-4 | Low | PPDB,C, > 160, Low; | Negative | c1(C(=O)OC(C(=O)OCC)C)c([N+](=O)[O-])ccc(c1)Oc1c(cc(C(F)(F)F)cc1)Cl |
| Naba | 142-59-6 | Low | PPDB,C, > 12.1, Moderate; | Negative | [S-]C(=S)NCCNC(=S)[S-].[Na+].[Na+] |
| Triforine | 26644-46-2 | Low | PPDB,O, 10, Moderate; | Negative | ClC(Cl)(Cl)C(N1CCN(C(NC=O)C(Cl)(Cl)Cl)CC1)NC=O |
| 2,4-DB | 94-82-6 | Low | PPDB,O, > 100, Low; | Negative | Clc1c(OCCCC(=O)O)ccc(Cl)c1 |
| Daminozide | 1596-84-5 | Low | PPDB,U, > 200, Low; | Negative | O=C(NN(C)C)CCC(=O)O |
| Tebufenozide | 112410-23-8 | Low | PPDB,C, > 234, Low; O, > 100, Low; | Negative | O=C(N(NC(=O)c1ccc(cc1)CC)C(C)(C)C)c1cc(cc(c1)C)C |
| Fentin hydroxide | 76-87-9 | Low | PPDB,C, 114.8, Low; | Negative | [Sn+](c1ccccc1)(c1ccccc1)c1ccccc1.[OH-] |
| Tebuthiuron | 34014-18-1 | Low | PPDB,C, > 30, Moderate; | Negative | CNC(=O)N(c1nnc(s1)C(C)(C)C)C |
| Boric acid | 10043-35-3 | Low | PPDB,C, > 362, Low; | Negative | OB(O)O |
| Barium metaborate | 13701-59-2 | Low | ECOTOX, O, 14 D, > 362.58, UGB; | Negative | [Ba+2].[O-][BH]=O.[O-][BH]=O |
| Amitraz | 33089-61-1 | Low | PPDB,C, 50, Moderate; | Negative | N(=C\N(/C=N/c1c(cc(cc1)C)C)C)/c1c(cc(cc1)C)C |
| Oxytetracycline | 7179-50-2 | Low | ECOTOX, C, 48 hr, > 100, UGB; | Negative | O[C@@]12[C@@H]([C@@H](O)[C@H]3C(=C1O)C(=O)c1c([C@]3(O)C)cccc1O)[C@H](N(C)C)C(=C(C2=O)C(=O)N)O |
| Amitrole | 61-82-5 | Low | PPDB,C, > 100, Low; O, > 152, Low; | Negative | Nc1nnc[nH]1 |
| Fosamine ammonium | 25954-13-6 | Low | ECOTOX, C, 48 hr, > 200, UGB; | Negative | CCOP(=O)(C(=O)N)[O-].[NH4+] |
| Dichlorprop-P-dimethylammonium | 104786-87-0 | Low | ECOTOX, C, 48 hr, > 25, UGB; | Negative | C(=O)([C@H](Oc1c(cc(cc1)Cl)Cl)C)[O-].[NH2+](C)C |
| Propanil | 709-98-8 | Low | PPDB,C, > 100, Low; O, > 94.3, Moderate; | Negative | Clc1c(Cl)ccc(NC(=O)CC)c1 |
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