Toxicity data
| Name | CAS | Level | Source | Dataset | Smiles |
|---|---|---|---|---|---|
| Gentamicin sulfate (BP 88) | 1405-41-0 | Low | ECOTOX, C, 48 hr, > 25.4, UGB; | Negative | S(=O)(=O)(O)O.O([C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@@H](CC[C@H]2N)CN)[C@@H](N)C[C@H]1N)[C@H]1OC[C@](O)([C@H](NC)[C@H]1O)C |
| Prohexadione-calciu | 127277-53-6 | Low | PPDB,C, > 100, Low; O, > 100, Low; | Negative | C1(C(=O)CC(C(=O)[O-])CC1=O)C(=O)CC.C1(C(=O)CC(C(=O)[O-])CC1=O)C(=O)CC.[Ca+2] |
| Etoxazole | 153233-91-1 | Low | PPDB,C, > 200, Low; O, > 200, Low; | Negative | CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C |
| MCPA 2-ethylhexyl ester | 29450-45-1 | Low | ECOTOX, C, 48 hr, > 25, UGB;O, 48 hr, > 119.24, UGB;C, 48 hr, > 100, UGB; | Negative | C(=O)(OCC(CC)CCCC)COc1c(cc(cc1)Cl)C |
| Dichlorprop-P 2-ethylyhexyl ester | 865363-39-9 | Low | PPDB,C, > 180, Low; O, > 178.1, Low; | Negative | C(=O)([C@@H](C)Oc1c(cc(cc1)Cl)Cl)OCC(CCCC)CC |
| Iodosulfuron-methyl-sodium | 144550-36-7 | Low | PPDB,C, > 150, Low; O, > 80, Moderate; | Negative | Ic1cc(S(=O)(=O)NC(=O)[N-]c2nc(OC)nc(n2)C)c(C(=O)OC)cc1.[Na+] |
| Arsanilic acid | 98-50-0 | Low | ECOTOX, C, 48 hr, > 100, UGB; | Negative | Nc1ccc(cc1)[As](=O)(O)O |
| Butafenacil | 134605-64-4 | Low | PPDB,C, 20, Moderate; | Negative | n1(c(=O)n(c(cc1=O)C(F)(F)F)C)c1cc(C(=O)OC(C(=O)OCC=C)(C)C)c(cc1)Cl |
| Flufenpyr-ethyl | 188489-07-8 | Low | PPDB,O, > 25, Moderate; | Negative | c1(c(cc(c(c1)OCC(=O)OCC)Cl)F)n1ncc(c(c1=O)C)C(F)(F)F |
| Quinoxyfen | 124495-18-7 | Low | PPDB,C, > 100, Low; O, > 100, Low; | Negative | Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl |
| Pyraflufen-ethyl | 129630-19-9 | Low | PPDB,C, > 100, Low; O, > 223, Low; | Negative | c1(c(c(nn1C)c1c(cc(c(c1)OCC(=O)O)Cl)F)Cl)OC(F)F |
| Novaluron | 116714-46-6 | Low | PPDB,C, > 100, Low; O, > 100, Low; | Negative | Clc1c(OC(F)(F)C(F)OC(F)(F)F)ccc(NC(=O)NC(=O)c2c(F)cccc2F)c1 |
| Boscalid | 188425-85-6 | Low | PPDB,C, > 200, Low; O, 100, Moderate; | Negative | Clc1ncccc1C(=O)Nc1c(c2ccc(Cl)cc2)cccc1 |
| Flonicamid | 158062-67-0 | Low | PPDB,C, > 51100, Low; O, > 53300, Low; | Negative | FC(F)(F)c1c(C(=O)NCC#N)cncc1 |
| Thiacloprid | 111988-49-9 | Low | PPDB,C, 38.82, Moderate; O, 17.32, Moderate; | Negative | c1cc(ncc1CN1CCS/C/1=N/C#N)Cl |
| Propoxycarbazone-sodium | 181274-15-7 | Low | PPDB,C, > 200, Low; O, > 319, Low; | Negative | n1(c(=O)n(c(n1)OCCC)C)C(=O)[N-]S(=O)(=O)c1c(C(=O)OC)cccc1.[Na+] |
| Fenamidone | 161326-34-7 | Low | PPDB,C, > 74.8, Moderate; O, > 159.8, Low; | Negative | N1(C(=O)[C@@](N=C1SC)(c1ccccc1)C)Nc1ccccc1 |
| Acequinocyl | 57960-19-7 | Low | PPDB,C, > 100, Low; O, > 100, Low; | Negative | O(C1=C(C(=O)c2c(C1=O)cccc2)CCCCCCCCCCCC)C(=O)C |
| Fenpyroximate | 134098-61-6 | Low | PPDB,C, 15.8, Moderate; O, > 118.5, Low; | Negative | O(c1n(nc(c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1)C)C)c1ccccc1 |
| Flumiclorac-pentyl | 87546-18-7 | Low | PPDB,C, > 196, Low; | Negative | Clc1c(OCC(=O)OCCCCC)cc(N2C(=O)C3=C(C2=O)CCCC3)c(F)c1 |
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