id
stringlengths 2
7
| problem
stringlengths 95
460
| solution
stringclasses 2
values | problem_type
stringclasses 1
value | group
stringclasses 1
value |
|---|---|---|---|---|
5009866
|
Does the compound COCCOCCO result in a positive toxicity outcome in the BSK_KF3CT_SRB_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2061016
|
Is COc1ncc(F)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12, given as a SMILES string, classified as toxic in the ATG_GRE_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1141994
|
In the BSK_KF3CT_MMP9_down BioSeek primary-cell biomarker panel, does the molecule CCCCCCCCCCCCCO show toxic activity?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5478355
|
In the TOX21_p53_BLA_p4_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule C=CC(C)(CCC=C(C)C)OC(=O)C=Cc1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2525011
|
Does the compound CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC result in a positive toxicity outcome in the TOX21_p53_BLA_p2_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1993574
|
Is COC(=O)c1ccc(OC)cc1, given as a SMILES string, classified as toxic in the ATG_PXR_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1652930
|
Given a candidate compound's SMILES string, is the compound CCc1ccc(O)c(C(C)(C)C)c1 toxic in the ATG_LXRa_TRANS_up assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
265619
|
In the BSK_3C_MIG_down BioSeek primary-cell biomarker panel, does the molecule CC(=O)C(Cl)C(=O)N(C)C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2118554
|
Does the compound CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-] result in a positive toxicity outcome in the TOX21_p53_BLA_p5_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3970734
|
Does the compound CC(C)C(=O)C(C)C result in a positive toxicity outcome in the BSK_hDFCGF_MMP1_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1578644
|
In the TOX21_ESRE_BLA_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule CCN(CCN)c1cccc(C)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2237957
|
Given a candidate compound's SMILES string, is the compound O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl toxic in the Tanguay_ZF_120hpf_AXIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3065652
|
Does the compound COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 result in a positive toxicity outcome in the TOX21_p53_BLA_p5_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1188070
|
Given a compound's SMILES string, does C[SiH](O[Si](C)(C)C)O[Si](C)(C)C produce a positive toxicity call in the ATG_NURR1_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3512652
|
Is CCOP(=S)(OCC)SCS(=O)(=O)CC, given as a SMILES string, classified as toxic in the BSK_CASM3C_Proliferation_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5109327
|
Given a candidate compound's SMILES string, is the compound CCCCCC(=O)O toxic in the ATG_RORg_TRANS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3314357
|
Does the compound Cc1ccc(C)c(C)c1 result in a positive toxicity outcome in the TOX21_HSE_BLA_agonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
148808
|
Is COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1, given as a SMILES string, classified as toxic in the BSK_hDFCGF_IP10_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
689016
|
Given a compound's SMILES string, does CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1.[Na+] produce a positive toxicity call in the TOX21_ERa_LUC_BG1_Antagonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2031754
|
Given a candidate compound's SMILES string, is the compound O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+] toxic in the TOX21_AutoFluor_HEPG2_Media_blue assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
473192
|
Given a compound's SMILES string, does CC(Cl)(Cl)C(=O)O produce a positive toxicity call in the Tanguay_ZF_120hpf_SWIM_up zebrafish embryo morphology/behaviour assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4805102
|
Is CCNc1cccc(C)c1, given as a SMILES string, classified as toxic in the ATG_NURR1_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1052607
|
Is N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2, given as a SMILES string, classified as toxic in the APR_HepG2_NuclearSize_72h_up APR high-content imaging assay (HepG2 cells)?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1056446
|
Given a compound's SMILES string, does NC(=O)OCC(COC(N)=O)c1ccccc1 produce a positive toxicity call in the ATG_CAR_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4347888
|
In the TOX21_p53_BLA_p3_viability NIH/EPA Tox21 reporter-gene assay, does the molecule NS(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1991143
|
Given a compound's SMILES string, does COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCC3)n1 produce a positive toxicity call in the TOX21_AR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5288610
|
Given a candidate compound's SMILES string, is the compound C=CC(=C)CCC=C(C)C toxic in the TOX21_AutoFluor_HEPG2_Media_green assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3302715
|
Given a compound's SMILES string, does CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 produce a positive toxicity call in the ATG_AR_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
15014
|
Given a compound's SMILES string, does NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O produce a positive toxicity call in the TOX21_ERa_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2710992
|
Given a candidate compound's SMILES string, is the compound CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 toxic in the TOX21_AR_BLA_Antagonist_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3480912
|
Given a candidate compound's SMILES string, is the compound COP(=S)(OC)Oc1ccc(SC)c(C)c1 toxic in the ATG_THRa1_TRANS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
694654
|
In the TOX21_p53_BLA_p1_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule Cc1c(N)c(=O)n(-c2ccccc2)n1C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5093989
|
Given a candidate compound's SMILES string, is the compound CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1 toxic in the NVS_NR_rAR assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3262628
|
Given a candidate compound's SMILES string, is the compound C1CCC(SSC2CCCCC2)CC1 toxic in the BSK_CASM3C_LDLR_down assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4681413
|
Given a candidate compound's SMILES string, is the compound Oc1c(Br)cc(Br)cc1Br toxic in the BSK_LPS_IL1a_down assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1225537
|
Given a compound's SMILES string, does CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1 produce a positive toxicity call in the ATG_RXRa_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
648727
|
Given a compound's SMILES string, does COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC produce a positive toxicity call in the TOX21_GR_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
663580
|
Given a compound's SMILES string, does Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+] produce a positive toxicity call in the TOX21_AR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1477088
|
Given a candidate compound's SMILES string, is the compound Cc1cccc(Nc2ccccc2C(=O)O)c1C toxic in the TOX21_NFkB_BLA_agonist_viability assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1283936
|
Is CC(Cl)C(C)Cl, given as a SMILES string, classified as toxic in the TOX21_PPARg_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
680255
|
Given a compound's SMILES string, does CCN(CC)C(=O)N(CC)CC produce a positive toxicity call in the ATG_NFI_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
430848
|
Does the compound C=C(C)C(=O)OCC(C)C result in a positive toxicity outcome in the ATG_DR5_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1524576
|
Given a candidate compound's SMILES string, is the compound Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1 toxic in the OT_AR_ARELUC_AG_1440 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
982349
|
Given a candidate compound's SMILES string, is the compound CCOC(=O)C(Br)c1ccccc1 toxic in the TOX21_ARE_BLA_agonist_viability assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
53794
|
In the ATG_HNF6_CIS_up Attagene reporter-gene assay, does the molecule Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1122520
|
Given a candidate compound's SMILES string, is the compound CC1(C)NC(=O)NC1=O toxic in the BSK_LPS_IL1a_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1999462
|
Does the compound CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1 result in a positive toxicity outcome in the TOX21_VDR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5018446
|
Given a candidate compound's SMILES string, is the compound CCSCC toxic in the TOX21_MMP_ratio_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1341939
|
Is CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Ca+2], given as a SMILES string, classified as toxic in the ATG_RORg_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3685220
|
Given a candidate compound's SMILES string, is the compound O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO toxic in the TOX21_p53_BLA_p2_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1627974
|
Given a candidate compound's SMILES string, is the compound OCCNCCO toxic in the ATG_ISRE_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4164296
|
Given a candidate compound's SMILES string, is the compound CCCCNC(=O)OCC#CI toxic in the BSK_BE3C_uPAR_down assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2160170
|
Is Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p1_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
127087
|
Does the compound C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccncc1 result in a positive toxicity outcome in the TOX21_NFkB_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2953515
|
Does the compound c1ccc2[nH]ccc2c1 result in a positive toxicity outcome in the ATG_PPARg_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3666900
|
Does the compound ClC(Cl)(Cl)c1ccccc1 result in a positive toxicity outcome in the Tanguay_ZF_120hpf_TRUN_up zebrafish embryo morphology/behaviour assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4033112
|
Is C=COCCOCCOC=C, given as a SMILES string, classified as toxic in the ATG_HNF4a_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2721835
|
In the Tanguay_ZF_120hpf_EYE_up zebrafish embryo morphology/behaviour assay, does the molecule COCCOCCO show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3011485
|
Given a compound's SMILES string, does CC(C)NCC(O)c1ccc(O)c(O)c1.Cl produce a positive toxicity call in the ATG_CAR_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3827849
|
Given a compound's SMILES string, does CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC produce a positive toxicity call in the ATG_ERRg_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5369265
|
Given a compound's SMILES string, does Cc1ccc(O)c([N+](=O)[O-])c1 produce a positive toxicity call in the TOX21_AR_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3309017
|
Does the compound CS(=O)(=O)OCCCNCCCOS(C)(=O)=O.Cc1ccc(S(=O)(=O)O)cc1 result in a positive toxicity outcome in the TOX21_AR_LUC_MDAKB2_Agonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1832607
|
Is O=[N+]([O-])/C=C/c1ccccc1, given as a SMILES string, classified as toxic in the TOX21_MMP_ratio_up NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
216790
|
Given a compound's SMILES string, does CCCCNC(=O)OCC#CI produce a positive toxicity call in the BSK_4H_uPAR_down BioSeek primary-cell biomarker panel?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4066227
|
Does the compound CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1 result in a positive toxicity outcome in the ATG_STAT3_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
456048
|
In the TOX21_GR_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C show toxic activity?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
52035
|
In the ATG_RORE_CIS_dn Attagene reporter-gene assay, does the molecule O=C(O)C(Cl)(Cl)Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1854205
|
Does the compound CN(C)C(=S)[S-].[Na+] result in a positive toxicity outcome in the TOX21_TR_LUC_GH3_Antagonist NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5321871
|
Is CCCCOCCOCCO, given as a SMILES string, classified as toxic in the ATG_Oct_MLP_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4739593
|
Does the compound O=C1C=CCCC1 result in a positive toxicity outcome in the TOX21_AR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3131552
|
Given a compound's SMILES string, does COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1 produce a positive toxicity call in the TOX21_VDR_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4196873
|
In the TOX21_ESRE_BLA_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
976377
|
Is Cl[Eu](Cl)Cl.O.O.O.O.O.O, given as a SMILES string, classified as toxic in the ATG_NF_kB_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
440544
|
Does the compound CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC result in a positive toxicity outcome in the TOX21_p53_BLA_p2_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3595856
|
In the TOX21_ESRE_BLA_viability NIH/EPA Tox21 reporter-gene assay, does the molecule Nc1ccc(Cl)cc1C(=O)c1ccccc1F show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4578915
|
Given a compound's SMILES string, does CC1OC(C)OC(C)O1 produce a positive toxicity call in the ATG_GLI_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1997950
|
Given a candidate compound's SMILES string, is the compound CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1 toxic in the TOX21_ERa_BLA_Agonist_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
16841
|
Given a compound's SMILES string, does N#C/N=C1\SCCN1Cc1ccc(Cl)nc1 produce a positive toxicity call in the BSK_hDFCGF_EGFR_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5001159
|
Given a compound's SMILES string, does CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 produce a positive toxicity call in the ATG_HNF6_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1912363
|
In the ATG_VDRE_CIS_up Attagene reporter-gene assay, does the molecule NCCCN1CCN(CCCN)CC1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2347418
|
Given a candidate compound's SMILES string, is the compound CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.O=S(=O)(O)O toxic in the ATG_RARa_TRANS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4184418
|
In the APR_HepG2_MicrotubuleCSK_72h_dn APR high-content imaging assay (HepG2 cells), does the molecule CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
965544
|
Does the compound Cn1sc(Cl)cc1=O result in a positive toxicity outcome in the ATG_CMV_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2955270
|
In the TOX21_NFkB_BLA_agonist_viability NIH/EPA Tox21 reporter-gene assay, does the molecule CCOC(=O)C(F)(F)F show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3031930
|
Given a candidate compound's SMILES string, is the compound Clc1ccc(C(Cl)(Cl)Cl)c(Cl)c1 toxic in the TOX21_ARE_BLA_Agonist_ch1 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3329526
|
In the TOX21_GR_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule O=C(Nc1ccc(/C=C/c2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1cc(S(=O)(=O)O)c2cccnc2c1O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4928445
|
In the ATG_AP_2_CIS_dn Attagene reporter-gene assay, does the molecule C/C=C/C=C/C(=O)[O-].[K+] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1230406
|
Does the compound CCCBr result in a positive toxicity outcome in the TOX21_HSE_BLA_agonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3706185
|
Is c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2, given as a SMILES string, classified as toxic in the TOX21_ERa_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1573
|
Given a compound's SMILES string, does CNNCc1ccc(C(=O)NC(C)C)cc1.Cl produce a positive toxicity call in the TOX21_AR_LUC_MDAKB2_Agonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1199525
|
Is Nc1ccc(Cl)c(Cl)c1, given as a SMILES string, classified as toxic in the ATG_THRa1_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2469408
|
In the TOX21_ARE_BLA_agonist_viability NIH/EPA Tox21 reporter-gene assay, does the molecule CCn1cc[n+](C)c1.Cc1ccc(S(=O)(=O)[O-])cc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1877626
|
Is C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O, given as a SMILES string, classified as toxic in the TOX21_ARE_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2627820
|
In the APR_Hepat_MitoFxnI_24hr_dn APR high-content imaging assay (primary hepatocytes), does the molecule CCCCC(CC)CN1C(=O)C2C3C=CC(C3)C2C1=O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2925458
|
Is CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl, given as a SMILES string, classified as toxic in the BSK_hDFCGF_MIG_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5114407
|
Given a compound's SMILES string, does C=CC(=O)OCCCCCCOC(=O)C=C produce a positive toxicity call in the ATG_M_32_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3495541
|
Given a candidate compound's SMILES string, is the compound CCN(CC)C(=O)N(CC)CC toxic in the BSK_LPS_PGE2_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1704116
|
In the BSK_LPS_Eselectin_up BioSeek primary-cell biomarker panel, does the molecule CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
563649
|
Does the compound CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O result in a positive toxicity outcome in the TOX21_AR_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1728907
|
Given a compound's SMILES string, does COc1ccc(C)cc1N produce a positive toxicity call in the TOX21_NFkB_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
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