Dataset Viewer
compound_id
string | SMILES_ORIGINAL
string | toxicity_SR-ATAD5
int64 | SMILES
string | IMAGE
image | SELFIES
string | InChIKey
string | IUPAC
string | template_original
string | template
string |
|---|---|---|---|---|---|---|---|---|---|
TOX3021 | CCOc1ccc2nc(S(N)(=O)=O)sc2c1 | 0 | CCOc1ccc2nc(S(N)(=O)=O)sc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][S][C][Ring1][=Branch2][=C][Ring1][=N] | OUZWUKMCLIBBOG-UHFFFAOYSA-N | 6-ethoxy-1,3-benzothiazole-2-sulfonamide | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCOc1ccc2nc(S(N)(=O)=O)sc2c1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX3020 | CCN1C(=O)NC(c2ccccc2)C1=O | 0 | CCN1C(=O)NC(c2ccccc2)C1=O | [C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] | SZQIFWWUIBRPBZ-UHFFFAOYSA-N | 3-ethyl-5-phenylimidazolidine-2,4-dione | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCN1C(=O)NC(c2ccccc2)C1=O is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX20800 | CC(O)(P(=O)(O)O)P(=O)(O)O | 0 | CC(O)(P(=O)(O)O)P(=O)(O)O | [C][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O] | DBVJJBKOTRCVKF-UHFFFAOYSA-N | (1-hydroxy-1-phosphonoethyl)phosphonic acid | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC(O)(P(=O)(O)O)P(=O)(O)O is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX22514 | OC[C@H](O)[C@@H](O)[C@H](O)CO | 0 | OC[C@H](O)[C@@H](O)[C@H](O)CO | [O][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O] | HEBKCHPVOIAQTA-SCDXWVJYSA-N | (2S,4R)-pentane-1,2,3,4,5-pentol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of OC[C@H](O)[C@@H](O)[C@H](O)CO is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX6612 | CC(C)COC(=O)C(C)C | 0 | CC(C)COC(=O)C(C)C | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C] | RXGUIWHIADMCFC-UHFFFAOYSA-N | 2-methylpropyl 2-methylpropanoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CC(C)COC(=O)C(C)C is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX6615 | C=C(C)C(=O)OCCOC(=O)C(=C)C | 0 | C=C(C)C(=O)OCCOC(=O)C(=C)C | [C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C] | STVZJERGLQHEKB-UHFFFAOYSA-N | 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES C=C(C)C(=O)OCCOC(=O)C(=C)C is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX15748 | Cl/C=C\C[N+]12CN3CN(CN(C3)C1)C2 | 0 | Cl/C=C\C[N+]12CN3CN(CN(C3)C1)C2 | [Cl][/C][=C][\C][N+1][C][N][C][N][Branch1][O][C][N][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] | LDLCEGCJYSDJLX-UPHRSURJSA-N | 1-[(Z)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES Cl/C=C\C[N+]12CN3CN(CN(C3)C1)C2 is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX4460 | Nc1ccc(/N=N/c2ccccc2)cc1 | 1 | Nc1ccc(/N=N/c2ccccc2)cc1 | [N][C][=C][C][=C][Branch1][O][/N][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | QPQKUYVSJWQSDY-CCEZHUSRSA-N | 4-[(E)-phenyldiazenyl]aniline | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES Nc1ccc(/N=N/c2ccccc2)cc1 is toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX22632 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2 | 0 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2 | [C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][C] | MNJNPLVXBISNSX-WDNDVIMCSA-N | [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX1883 | C#CCO | 0 | C#CCO | [C][#C][C][O] | TVDSBUOJIPERQY-UHFFFAOYSA-N | prop-2-yn-1-ol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of C#CCO is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX1885 | CC(O)CC(C)(C)O | 0 | CC(O)CC(C)(C)O | [C][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][O] | SVTBMSDMJJWYQN-UHFFFAOYSA-N | 2-methylpentane-2,4-diol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC(O)CC(C)(C)O is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX1886 | CC(C)(C)CC(C)(C)N | 0 | CC(C)(C)CC(C)(C)N | [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N] | QIJIUJYANDSEKG-UHFFFAOYSA-N | 2,4,4-trimethylpentan-2-amine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC(C)(C)CC(C)(C)N is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX1888 | CCCC(C)=O | 0 | CCCC(C)=O | [C][C][C][C][Branch1][C][C][=O] | XNLICIUVMPYHGG-UHFFFAOYSA-N | pentan-2-one | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCCC(C)=O is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX4465 | Nc1nc2ccccc2[nH]1 | 0 | Nc1nc2ccccc2[nH]1 | [N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | JWYUFVNJZUSCSM-UHFFFAOYSA-N | 1H-benzimidazol-2-amine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES Nc1nc2ccccc2[nH]1 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX161 | c1ccc(-c2ccccc2)cc1 | 0 | c1ccc(-c2ccccc2)cc1 | [C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | ZUOUZKKEUPVFJK-UHFFFAOYSA-N | 1,1'-biphenyl | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES c1ccc(-c2ccccc2)cc1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX22187 | CCCCNC(=S)NCCCC | 0 | CCCCNC(=S)NCCCC | [C][C][C][C][N][C][=Branch1][C][=S][N][C][C][C][C] | KFFQABQEJATQAT-UHFFFAOYSA-N | 1,3-dibutylthiourea | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCCCNC(=S)NCCCC is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX7875 | CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO | 0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][C][O] | UPWGQKDVAURUGE-KTKRTIGZSA-N | 1,3-dihydroxypropan-2-yl (Z)-octadec-9-enoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX7870 | CCCCCCCCCCC=CC1CC(=O)OC1=O | 0 | CCCCCCCCCCC=CC1CC(=O)OC1=O | [C][C][C][C][C][C][C][C][C][C][C][=C][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=O] | WVRNUXJQQFPNMN-UHFFFAOYSA-N | 3-dodec-1-enyloxolane-2,5-dione | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCCCCCCCCCC=CC1CC(=O)OC1=O is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX27698 | CC/C=C\CCCCO | 0 | CC/C=C\CCCCO | [C][C][/C][=C][\C][C][C][C][O] | VDHRTASWKDTLER-ARJAWSKDSA-N | (Z)-oct-5-en-1-ol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC/C=C\CCCCO is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX27695 | Nc1ccccc1C(=O)Oc1ccc2ccccc2c1 | 1 | Nc1ccccc1C(=O)Oc1ccc2ccccc2c1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | YJFCKXVXEKHSEC-UHFFFAOYSA-N | naphthalen-2-yl 2-aminobenzoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of Nc1ccccc1C(=O)Oc1ccc2ccccc2c1 is toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX10138 | CC(=O)CCC(C)=O | 0 | CC(=O)CCC(C)=O | [C][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=O] | OJVAMHKKJGICOG-UHFFFAOYSA-N | hexane-2,5-dione | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC(=O)CCC(C)=O is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX21464 | N#CCCNCCC#N | 0 | N#CCCNCCC#N | [N][#C][C][C][N][C][C][C][#N] | SBAJRGRUGUQKAF-UHFFFAOYSA-N | 3-(2-cyanoethylamino)propanenitrile | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of N#CCCNCCC#N is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX21728 | CCOc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(OCC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1 | 0 | CCOc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(OCC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Branch1][N][N][=N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][C][=C][Branch1][S][N][=N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring2][Ring1][P][C][=C][Ring2][Ring2][=Branch2] | AVERNFJXXRIVQN-UHFFFAOYSA-L | 5-[(4-ethoxyphenyl)diazenyl]-2-[2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCOc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(OCC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1 is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX21721 | O=C1c2ccccc2C(=O)C1c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2n1 | 0 | O=C1c2ccccc2C(=O)C1c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2n1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][Ring1][=C][=N][Ring2][Ring1][C] | OESPFRYVCUTRKF-UHFFFAOYSA-L | 2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of O=C1c2ccccc2C(=O)C1c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2n1 is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX27078 | C=C(C)[C@@H]1CC=C(C)CC1 | 0 | C=C(C)[C@@H]1CC=C(C)CC1 | [C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1] | XMGQYMWWDOXHJM-SNVBAGLBSA-N | (4S)-1-methyl-4-prop-1-en-2-ylcyclohexene | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of C=C(C)[C@@H]1CC=C(C)CC1 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX24913 | CCCCCCCCCCCC(=O)NCCCN(C)C | 0 | CCCCCCCCCCCC(=O)NCCCN(C)C | [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C] | TWMFGCHRALXDAR-UHFFFAOYSA-N | N-[3-(dimethylamino)propyl]dodecanamide | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCCCCCCCCCCC(=O)NCCCN(C)C is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX24911 | CC(C)CCCCCOC(=O)CCS | 0 | CC(C)CCCCCOC(=O)CCS | [C][C][Branch1][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][S] | ZHUWXKIPGGZNJW-UHFFFAOYSA-N | 6-methylheptyl 3-sulfanylpropanoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC(C)CCCCCOC(=O)CCS is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX24919 | CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS | 0 | CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS | [C][C][C][Branch1][#Branch2][C][O][C][=Branch1][C][=O][C][C][S][Branch1][#Branch2][C][O][C][=Branch1][C][=O][C][C][S][C][O][C][=Branch1][C][=O][C][C][S] | IMQFZQVZKBIPCQ-UHFFFAOYSA-N | 2,2-bis(3-sulfanylpropanoyloxymethyl)butyl 3-sulfanylpropanoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX9739 | F[B-](F)(F)F.[H+] | 0 | F[B-](F)(F)F.[H+] | [F][B-1][Branch1][C][F][Branch1][C][F][F].[H+1] | ODGCEQLVLXJUCC-UHFFFAOYSA-O | hydron;tetrafluoroborate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of F[B-](F)(F)F.[H+] is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX9733 | CC(C)[C@H]1CC[C@H](C)C[C@@H]1O | 0 | CC(C)[C@H]1CC[C@H](C)C[C@@H]1O | [C][C][Branch1][C][C][C@H1][C][C][C@H1][Branch1][C][C][C][C@@H1][Ring1][#Branch1][O] | NOOLISFMXDJSKH-AEJSXWLSSA-N | (1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CC(C)[C@H]1CC[C@H](C)C[C@@H]1O is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX6050 | C(=C/c1ccccc1)\c1ccccc1 | 0 | C(=C/c1ccccc1)\c1ccccc1 | [C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][\C][=C][C][=C][C][=C][Ring1][=Branch1] | PJANXHGTPQOBST-VAWYXSNFSA-N | (E)-stilbene | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of C(=C/c1ccccc1)\c1ccccc1 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX2614 | CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 0 | CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | [C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][N] | VMWNQDUVQKEIOC-CYBMUJFWSA-N | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX2612 | CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C | 0 | CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C | [C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N+1][Ring1][=Branch1][Branch1][C][C][C] | XGGHHHBGPSNXFE-ZSHCYNCHSA-N | [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX9559 | O=C1C(N(CO)C(=O)NCO)N(CO)C(=O)N1CO | 0 | O=C1C(N(CO)C(=O)NCO)N(CO)C(=O)N1CO | [O][=C][C][Branch1][=N][N][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][O][N][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Ring1][S][C][O] | SOROIESOUPGGFO-UHFFFAOYSA-N | 1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES O=C1C(N(CO)C(=O)NCO)N(CO)C(=O)N1CO is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX14836 | [I-].[K+] | 0 | [I-].[K+] | [I-1].[K+1] | NLKNQRATVPKPDG-UHFFFAOYSA-M | potassium;iodide | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of [I-].[K+] is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX4786 | O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O | 0 | O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O | [O][=C][Branch1][P][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C@@H1][C][C@][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][Branch1][C][O][C@H1][Ring1][O][O] | CWVRJTMFETXNAD-NCZKRNLISA-N | (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX5391 | C/C=C/C=C/C=O | 0 | C/C=C/C=C/C=O | [C][/C][=C][/C][=C][/C][=O] | BATOPAZDIZEVQF-MQQKCMAXSA-N | (2E,4E)-hexa-2,4-dienal | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of C/C=C/C=C/C=O is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX25538 | CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1 | 0 | CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1 | [C][N][Branch1][C][C][C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][C@H1][Ring1][#C][S][C][Ring2][Ring1][=Branch1] | QYQDKDWGWDOFFU-IUODEOHRSA-N | (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX12375 | C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)[O-] | 0 | C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)[O-] | [C][/C][=Branch2][Ring1][=Branch1][=N][\N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1] | IRJQWZWMQCVOLA-DNTJNYDQSA-M | 2-[(E)-N-[(3,5-difluorophenyl)carbamoylamino]-C-methylcarbonimidoyl]pyridine-3-carboxylate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)[O-] is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX25533 | CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 | 0 | CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1] | KBAFPSLPKGSANY-UHFFFAOYSA-N | 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX25536 | CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | 0 | CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][=N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][C] | UVTNFZQICZKOEM-UHFFFAOYSA-N | 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX25537 | CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2[C@H]5O)N3[C@@H]1O | 0 | CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2[C@H]5O)N3[C@@H]1O | [C][C][C@H1][C@@H1][C][C@H1][C@@H1][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Ring1][#Branch2][C][C@@H1][Branch1][Branch2][C][Ring1][S][C@H1][Ring1][Branch1][O][N][Ring1][P][C@@H1][Ring2][Ring1][Branch1][O] | CJDRUOGAGYHKKD-HEFSZTOGSA-N | (1R,9R,10S,12R,13S,14R,16S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2[C@H]5O)N3[C@@H]1O is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX12379 | CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C | 0 | CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C | [C][S][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][#Branch1][C][=Branch1][C][=O][S][C][=C][Ring1][P][C][C][Branch1][C][C][C] | YUBJPYNSGLJZPQ-UHFFFAOYSA-N | 3-S,5-S-dimethyl 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarbothioate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX14792 | CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1 | 0 | CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][Ring1][P] | AMEKQAFGQBKLKX-UHFFFAOYSA-N | 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX28634 | CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 | 0 | CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 | [C][N][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C] | YLCXGBZIZBEVPZ-UHFFFAOYSA-N | 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX28635 | CCCCC(=O)[O-] | 0 | CCCCC(=O)[O-] | [C][C][C][C][C][=Branch1][C][=O][O-1] | NQPDZGIKBAWPEJ-UHFFFAOYSA-M | pentanoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCCCC(=O)[O-] is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX7019 | CCCCCCCCCCCCCC(=O)OC | 0 | CCCCCCCCCCCCCC(=O)OC | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C] | ZAZKJZBWRNNLDS-UHFFFAOYSA-N | methyl tetradecanoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCCCCCCCCCCCCC(=O)OC is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX7014 | CCCCCCC(C)O | 0 | CCCCCCC(C)O | [C][C][C][C][C][C][C][Branch1][C][C][O] | SJWFXCIHNDVPSH-UHFFFAOYSA-N | octan-2-ol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCCCCCC(C)O is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX22494 | CCC[Si](OC)(OC)OC | 0 | CCC[Si](OC)(OC)OC | [C][C][C][Si][Branch1][Ring1][O][C][Branch1][Ring1][O][C][O][C] | HQYALQRYBUJWDH-UHFFFAOYSA-N | trimethoxy(propyl)silane | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCC[Si](OC)(OC)OC is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX27088 | CC1=C(CC=O)C(C)(C)CCC1 | 0 | CC1=C(CC=O)C(C)(C)CCC1 | [C][C][=C][Branch1][Ring2][C][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][O] | VHTFHZGAMYUZEP-UHFFFAOYSA-N | 2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC1=C(CC=O)C(C)(C)CCC1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX3702 | NCCNCCNCCN | 0 | NCCNCCNCCN | [N][C][C][N][C][C][N][C][C][N] | VILCJCGEZXAXTO-UHFFFAOYSA-N | N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of NCCNCCNCCN is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX3706 | C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O | 0 | C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O | [C][C@][C][C][C@H1][C@@H1][Branch2][Ring1][Branch2][C][C][C@@][O][C@@H1][Ring1][Ring1][C][Branch1][C][O][=C][Branch1][Ring1][C][#N][C][C@][Ring1][=C][Ring1][#Branch2][C][C@@H1][Ring2][Ring1][Ring1][C][C][C@@H1][Ring2][Ring1][=Branch1][O] | KVJXBPDAXMEYOA-CXANFOAXSA-N | (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX4280 | CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 | 0 | CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 | [C][C][C][C][C][O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring1] | STJLVHWMYQXCPB-UHFFFAOYSA-N | 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX4931 | CCCCCNCCCCC | 0 | CCCCCNCCCCC | [C][C][C][C][C][N][C][C][C][C][C] | JACMPVXHEARCBO-UHFFFAOYSA-N | N-pentylpentan-1-amine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCCCCNCCCCC is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX4937 | c1ccc2c(c1)Oc1ccccc1S2 | 0 | c1ccc2c(c1)Oc1ccccc1S2 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O] | GJSGGHOYGKMUPT-UHFFFAOYSA-N | phenoxathiine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES c1ccc2c(c1)Oc1ccccc1S2 is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX4286 | CC1CN1 | 0 | CC1CN1 | [C][C][C][N][Ring1][Ring1] | OZDGMOYKSFPLSE-UHFFFAOYSA-N | 2-methylaziridine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CC1CN1 is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX175 | Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1 | 0 | Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1 | [Cl][C][=C][N][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=C][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][#C][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch1] | BAFKRPOFIYPKBQ-UHFFFAOYSA-N | 3,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX25916 | COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 | 0 | COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2] | OGHNVEJMJSYVRP-UHFFFAOYSA-N | 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX179 | CC(O)CNCC(C)O | 0 | CC(O)CNCC(C)O | [C][C][Branch1][C][O][C][N][C][C][Branch1][C][C][O] | LVTYICIALWPMFW-UHFFFAOYSA-N | 1-(2-hydroxypropylamino)propan-2-ol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC(O)CNCC(C)O is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX13979 | C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 0 | C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | [C][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C@H1][C][C][C@H1][C@H1][C@H1][Branch1][N][C][C@H1][Branch1][C][O][C@@][Ring1][#Branch1][Ring1][#Branch2][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C][C@H1][Ring1][Branch2][C][C@H1][Ring1][P][O] | BHQCQFFYRZLCQQ-OELDTZBJSA-M | (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX5886 | CCOC(=O)C1OC1c1ccccc1 | 0 | CCOC(=O)C1OC1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][O][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | GOMAKLPNAAZVCJ-UHFFFAOYSA-N | ethyl 3-phenyloxirane-2-carboxylate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCOC(=O)C1OC1c1ccccc1 is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX21530 | CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-] | 0 | CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-] | [C][C][C][C][C][Branch1][Ring1][C][C][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1] | GROJOWHVXQYQGN-UHFFFAOYSA-M | (7-ethyl-2-methylundecan-4-yl) sulfate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-] is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX6867 | O=C(O)CCCCCCCCC(=O)O | 0 | O=C(O)CCCCCCCCC(=O)O | [O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] | CXMXRPHRNRROMY-UHFFFAOYSA-N | decanedioic acid | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES O=C(O)CCCCCCCCC(=O)O is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX6864 | CCCCCCCC(=O)OC | 0 | CCCCCCCC(=O)OC | [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C] | JGHZJRVDZXSNKQ-UHFFFAOYSA-N | methyl octanoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCCCCCCC(=O)OC is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX6863 | CC(O)COCC(C)O | 0 | CC(O)COCC(C)O | [C][C][Branch1][C][O][C][O][C][C][Branch1][C][C][O] | AZUXKVXMJOIAOF-UHFFFAOYSA-N | 1-(2-hydroxypropoxy)propan-2-ol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CC(O)COCC(C)O is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX26644 | O=C([O-])COc1nn(Cc2ccccc2)c2ccccc12 | 0 | O=C([O-])COc1nn(Cc2ccccc2)c2ccccc12 | [O][=C][Branch1][C][O-1][C][O][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | BYFMCKSPFYVMOU-UHFFFAOYSA-M | 2-(1-benzylindazol-3-yl)oxyacetate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES O=C([O-])COc1nn(Cc2ccccc2)c2ccccc12 is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX2107 | Cc1ncc[nH]1 | 0 | Cc1ncc[nH]1 | [C][C][=N][C][=C][NH1][Ring1][Branch1] | LXBGSDVWAMZHDD-UHFFFAOYSA-N | 2-methyl-1H-imidazole | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of Cc1ncc[nH]1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX27264 | Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O | 1 | Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O | [O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C@H1][Ring2][Ring1][Branch1][O] | JGYVZUCCBOVDJE-MJGOQNOKSA-N | (3R,4S)-3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-3,4-dihydro-2H-chromene-4,7-diol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O is toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX27261 | CC[C@H](C)[C@@H](C(=O)O)n1sc2ccccc2c1=O | 0 | CC[C@H](C)[C@@H](C(=O)O)n1sc2ccccc2c1=O | [C][C][C@H1][Branch1][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O] | FUSYFEXGXRDJNB-KWQFWETISA-N | (2S,3S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CC[C@H](C)[C@@H](C(=O)O)n1sc2ccccc2c1=O is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX27262 | Cc1cc(SC2=C(O)C[C@@](CCc3ccc(N)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO | 0 | Cc1cc(SC2=C(O)C[C@@](CCc3ccc(N)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO | [C][C][=C][C][Branch2][Ring2][Branch1][S][C][=C][Branch1][C][O][C][C@@][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Branch1][=Branch1][C][Branch1][C][C][C][O][C][Ring2][Ring1][Ring1][=O][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#C][C][O] | ZUBPKHVCBGWWGO-NDEPHWFRSA-N | (2S)-2-[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-4-hydroxy-2-propan-2-yl-3H-pyran-6-one | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of Cc1cc(SC2=C(O)C[C@@](CCc3ccc(N)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX26647 | C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-] | 0 | C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-] | [C][C@][C][C@H1][Branch1][C][O][C@H1][C@@H1][Branch1][P][C][C][C][=C][C][=Branch1][C][=O][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@H1][Ring1][P][C][C][C@][Ring2][Ring1][Ring2][Branch1][C][O][C][=Branch1][C][=O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1] | BGSOJVFOEQLVMH-VWUMJDOOSA-L | [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-] is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX20289 | O=C(O)c1cccc(Cl)n1 | 0 | O=C(O)c1cccc(Cl)n1 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1] | ZLKMOIHCHCMSFW-UHFFFAOYSA-N | 6-chloropyridine-2-carboxylic acid | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES O=C(O)c1cccc(Cl)n1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX1553 | CCCCCCCCCC=O | 0 | CCCCCCCCCC=O | [C][C][C][C][C][C][C][C][C][C][=O] | KSMVZQYAVGTKIV-UHFFFAOYSA-N | decanal | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCCCCCCCCC=O is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX1557 | BrCBr | 0 | BrCBr | [Br][C][Br] | FJBFPHVGVWTDIP-UHFFFAOYSA-N | dibromomethane | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of BrCBr is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX1554 | CCCCCCCCCC(=O)O | 0 | CCCCCCCCCC(=O)O | [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] | GHVNFZFCNZKVNT-UHFFFAOYSA-N | decanoic acid | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCCCCCCCCC(=O)O is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX27484 | O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2] | 0 | O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2] | [O].[O].[O].[O].[O].[O].[O][=N+1][Branch1][C][O-1][O-1].[O][=N+1][Branch1][C][O-1][O-1].[Mg+2] | MFUVDXOKPBAHMC-UHFFFAOYSA-N | magnesium;dinitrate;hexahydrate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2] is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX7246 | O=C1CCCN1 | 0 | O=C1CCCN1 | [O][=C][C][C][C][N][Ring1][Branch1] | HNJBEVLQSNELDL-UHFFFAOYSA-N | pyrrolidin-2-one | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES O=C1CCCN1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX24613 | N#CC1(N=NC2(C#N)CCCCC2)CCCCC1 | 0 | N#CC1(N=NC2(C#N)CCCCC2)CCCCC1 | [N][#C][C][Branch1][#C][N][=N][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2][C][C][C][C][C][Ring1][S] | KYIKRXIYLAGAKQ-UHFFFAOYSA-N | 1-[(1-cyanocyclohexyl)diazenyl]cyclohexane-1-carbonitrile | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of N#CC1(N=NC2(C#N)CCCCC2)CCCCC1 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX24616 | CCCC[P+](CCCC)(CCCC)CCCC | 0 | CCCC[P+](CCCC)(CCCC)CCCC | [C][C][C][C][P+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C] | BJQWBACJIAKDTJ-UHFFFAOYSA-N | tetrabutylphosphanium | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCCC[P+](CCCC)(CCCC)CCCC is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX21884 | CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1 | 0 | CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1 | [C][C][C][O][C][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][Ring2][Ring1][Ring2] | ZDOOQPFIGYHZFV-UHFFFAOYSA-N | 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX3950 | CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2 | 0 | CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1] | JLQUFIHWVLZVTJ-UHFFFAOYSA-N | (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX21880 | Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C | 0 | Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C | [C][C][=C][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C] | RDBIYWSVMRVKSG-UHFFFAOYSA-N | [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX760 | O=P1(NCCCl)OCCCN1CCCl | 0 | O=P1(NCCCl)OCCCN1CCCl | [O][=P][Branch1][Branch1][N][C][C][Cl][O][C][C][C][N][Ring1][#Branch2][C][C][Cl] | HOMGKSMUEGBAAB-UHFFFAOYSA-N | N,3-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of O=P1(NCCCl)OCCCN1CCCl is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX762 | CC(C)O | 0 | CC(C)O | [C][C][Branch1][C][C][O] | KFZMGEQAYNKOFK-UHFFFAOYSA-N | propan-2-ol | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC(C)O is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX767 | CC=Cc1ccc2c(c1)OCO2 | 0 | CC=Cc1ccc2c(c1)OCO2 | [C][C][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | VHVOLFRBFDOUSH-UHFFFAOYSA-N | 5-prop-1-enyl-1,3-benzodioxole | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC=Cc1ccc2c(c1)OCO2 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX17072 | CCCC(CCC)C(=O)[O-] | 0 | CCCC(CCC)C(=O)[O-] | [C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O-1] | NIJJYAXOARWZEE-UHFFFAOYSA-M | 2-propylpentanoate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CCCC(CCC)C(=O)[O-] is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX21085 | CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 | 0 | CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 | [C][C][C][O][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring2][Ring1][Branch2][C][Ring2][Ring1][=Branch1][=Ring1][#Branch2] | GSDSWSVVBLHKDQ-UHFFFAOYSA-N | 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX27875 | CC(C)C[P+](C)(CC(C)C)CC(C)C | 0 | CC(C)C[P+](C)(CC(C)C)CC(C)C | [C][C][Branch1][C][C][C][P+1][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C] | BIUUTLHYFPFWRB-UHFFFAOYSA-N | methyl-tris(2-methylpropyl)phosphanium | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CC(C)C[P+](C)(CC(C)C)CC(C)C is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX27874 | C=C1C[C@]23CC[C@@H]4[C@](C)(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@]4(C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C3 | 0 | C=C1C[C@]23CC[C@@H]4[C@](C)(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@]4(C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C3 | [C][=C][C][C@][C][C][C@@H1][C@][Branch1][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][C][C][C@][Ring2][Ring1][Branch1][Branch1][C][C][C@@H1][Ring2][Ring1][#Branch2][C][C@@H1][Branch2][Branch1][=N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Branch1][O][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Ring2][Branch1][P][C][Ring2][Branch1][S] | CHSPVGNDBQFQNR-OAUYYHDTSA-N | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10R,12R,13R)-12-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES C=C1C[C@]23CC[C@@H]4[C@](C)(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@]4(C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C3 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX6267 | Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)c1 | 0 | Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][=Branch1][O][P][=Branch1][C][=O][Branch1][S][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][N] | LLPMAOBOEQFPRE-UHFFFAOYSA-N | tris(3,5-dimethylphenyl) phosphate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)c1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX6261 | O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl | 0 | O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl | [O][=P][Branch1][=Branch2][O][C][Branch1][Ring1][C][Cl][C][Cl][Branch1][=Branch2][O][C][Branch1][Ring1][C][Cl][C][Cl][O][C][Branch1][Ring1][C][Cl][C][Cl] | ASLWPAWFJZFCKF-UHFFFAOYSA-N | tris(1,3-dichloropropan-2-yl) phosphate | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl is not toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX6262 | O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1 | 1 | O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1 | [O][=C][N][Branch1][#Branch1][C][C][C][O][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][O][Ring1][Ring1][C][=Branch1][C][=O][N][Ring1][S][C][C][C][O][Ring1][Ring1] | OUPZKGBUJRBPGC-UHFFFAOYSA-N | 1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1 is toxic in the Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX5070 | CC1=CC(C)(C)Nc2ccccc21 | 0 | CC1=CC(C)(C)Nc2ccccc21 | [C][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | ZNRLMGFXSPUZNR-UHFFFAOYSA-N | 2,2,4-trimethyl-1H-quinoline | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CC1=CC(C)(C)Nc2ccccc21 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX5079 | CC(C)CNCC(C)C | 0 | CC(C)CNCC(C)C | [C][C][Branch1][C][C][C][N][C][C][Branch1][C][C][C] | NJBCRXCAPCODGX-UHFFFAOYSA-N | 2-methyl-N-(2-methylpropyl)propan-1-amine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of CC(C)CNCC(C)C is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX26230 | Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1 | 0 | Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | SKQDKFOTIPJUSV-UHFFFAOYSA-N | 4-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethoxy]benzamide | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX2394 | COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 | 1 | COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | WUADCCWRTIWANL-UHFFFAOYSA-N | 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 is toxic in the Luciferase-tagged ATAD5 assay. |
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TOX2393 | O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O | 0 | O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O | [O][=C][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O] | VGEREEWJJVICBM-UHFFFAOYSA-N | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES representation of O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX3043 | O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1 | 0 | O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | ZPAKPRAICRBAOD-UHFFFAOYSA-N | 4-oxo-4-(4-phenylphenyl)butanoic acid | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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TOX12416 | CSc1nc(NC2CC2)nc(NC(C)(C)C)n1 | 0 | CSc1nc(NC2CC2)nc(NC(C)(C)C)n1 | [C][S][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][#C] | HDHLIWCXDDZUFH-UHFFFAOYSA-N | 2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES CSc1nc(NC2CC2)nc(NC(C)(C)C)n1 is not toxic in the Luciferase-tagged ATAD5 assay. |
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TOX22579 | O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2 | 0 | O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2 | [O][=C][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][N][Branch1][S][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P] | FJUKDAZEABGEIH-UHFFFAOYSA-N | 8-[3-(4-fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {toxicity_SR-ATAD5#not &NULL}{toxicity_SR-ATAD5__names__adjective}. | The molecule with the SMILES O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2 is not toxic in the SR-Luciferase-tagged ATAD5 in human embryonic kidney cells assay. |
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