UdS-LSV/smole-bert-mtr
Fill-Mask
•
Updated
•
25
The full dataset viewer is not available (click to read why). Only showing a preview of the rows.
An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 1 new columns (MUV-548) and 1 missing columns (MUV-466).
This happened while the csv dataset builder was generating data using
hf://datasets/AdrianM0/MUV/MUV_548/data_clean.csv (at revision eaed323733a2b1a849116d90826f35e56b3ae273)
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Error code: UnexpectedError
Need help to make the dataset viewer work? Open a discussion for direct support.
SMILES
string | MUV-466
int64 |
|---|---|
Cn1ccnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 | 0 |
NC(=O)NC(Cc1ccccc1)C(=O)O | 0 |
O=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1 | 0 |
O=C(CN1CCCC1)Nc1ccc(Oc2ccc(NC(=O)CN3CCCC3)cc2)cc1 | 0 |
CN(C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1 | 0 |
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1 | 0 |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O | 0 |
Cc1ccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 | 0 |
Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 | 0 |
COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)O)ccc32)c1 | 0 |
CC1=C(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)C2(CCCCC2)OC1=O | 0 |
CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)no1 | 0 |
COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 | 0 |
O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Br)c2)N1CCO | 0 |
COc1ccc(NC2=Nc3ccccc3CC2)cc1 | 0 |
O/N=C1C(=C\c2ccccc2)/N2CCC/1CC2 | 0 |
COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 | 0 |
COc1cccc(N2CCN(C3OC(=O)c4ccccc43)CC2)c1 | 0 |
COc1ccc(OC)c(NC(=O)NC(Cc2ccccc2)C(=O)O)c1 | 0 |
O=C(Nc1cccc2ccccc12)c1ccc(Br)o1 | 0 |
O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)(c2ccc3c(c2)OCO3)CC1 | 0 |
O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 | 0 |
Cc1cc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)n(-c2ccccc2)n1 | 0 |
O=C(Nc1cccnc1)c1cnn2c(C(F)F)cc(C3CC3)nc12 | 0 |
CCOC(=O)CSC(C)C(=O)Nc1nnc(C(C)C)s1 | 0 |
Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(C)c1 | 0 |
CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1 | 0 |
CN1CCCN(C(=O)Cc2c(Cl)cccc2Cl)c2nc3ccccc3nc21 | 0 |
O=C(NCCN1CCOCC1)C1CCC(=O)N1Cc1ccccc1Cl | 0 |
COc1ccccc1CNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 | 0 |
Cn1c(CCNC(=O)c2ccccc2)nc2cc(NC(=O)c3ccco3)ccc21 | 0 |
N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1cccc2ccccc12 | 0 |
CCOc1cc(-c2noc(-c3cccnc3)n2)ccc1OC | 0 |
COc1ccccc1-c1nn2c(C(F)(F)F)nnc2s1 | 0 |
CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 | 0 |
O=C(NC1CCCCCC1)C1CCN(c2nc3ccccc3o2)CC1 | 0 |
COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(C)on3)c2=O)cc1OC | 0 |
CCOC(=O)C1(Nc2nccs2)Sc2ccccc2NC1=O | 0 |
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCOc1ccccc1 | 0 |
CCC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C | 0 |
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccs1 | 0 |
CCOC(=O)N1CCN(C(c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 | 0 |
Cc1cccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c1 | 0 |
c1cc(-c2nc3cc(Oc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1 | 0 |
O=C(COc1ccc2ccccc2c1Br)N1CCN(c2ccccn2)CC1 | 0 |
Cc1cs/c(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)n1Cc1ccccc1 | 0 |
CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1 | 0 |
O=C(c1coc(=O)c2ccccc12)N1CCN(Cc2ccccc2)CC1 | 0 |
COc1ccccc1N1CCN(C(CNC(=O)c2ccc3c(c2)OCO3)c2cccnc2)CC1 | 0 |
COc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1OC | 0 |
C/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Br)cc1 | 0 |
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3Cl)CC2)cc1 | 0 |
Cn1c(O)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12 | 0 |
N#Cc1c(NC(=O)c2ccc(Br)o2)n(-c2ccccc2)c2nc3ccccc3nc12 | 0 |
CN1C(=O)NC(c2ccccc2)C2=C1CN(c1cccc(C(F)(F)F)c1)C2=O | 0 |
CCCCCCc1cc2cc(C(=O)NC)c(N)oc-2cc1=O | 0 |
COc1cc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc2c1OCO2 | 0 |
COc1ccccc1N(C(C)=O)C1SC(=O)N(c2ccccc2)C1=O | 0 |
Cn1ccnc1SCC(=O)c1ccc(Br)cc1 | 0 |
O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 | 0 |
Cc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 | 0 |
O=C(NCc1cccnc1)c1ccc(COc2ccc3c(c2)CCC3)o1 | 0 |
CN(C)c1cccc(/N=C2/C=C(N3CCOCC3)CC(C)(C)C2)c1 | 0 |
COc1c(C)cc(Br)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 | 0 |
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)O | 0 |
CCc1c(C)nc2ncnn2c1Nc1ccc(C#N)c(Cl)c1 | 0 |
CCOc1cc(C2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)ccc1O | 0 |
COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)=O)cc1 | 0 |
Cc1cccc(NC(=O)c2sc(NC(=O)c3ccco3)c(C#N)c2C)c1C | 0 |
COc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC | 0 |
COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC(=O)NC(C)(C)C | 0 |
Cc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 | 0 |
Cc1cccnc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 | 0 |
Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCC2CCCO2)c(C)c1 | 0 |
O=C(NCCc1ccccn1)C1CC(=O)N(Cc2ccccc2Cl)C1 | 0 |
CC(Sc1nnnn1C)C(=O)Nc1ccccc1-c1ccccc1 | 0 |
CC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1 | 0 |
Cc1cc(C)n2nc(SCc3ncc(-c4ccccc4)o3)nc2n1 | 0 |
CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1 | 0 |
O=C(NCCN1CCOCC1)c1ccc2c(c1)ncn2C1CCCCC1 | 0 |
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)CC1 | 0 |
O=C(c1ccccc1-c1nc2ccccc2[nH]1)N1CCOCC1 | 0 |
O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 | 0 |
CCOC(=O)N1CCN(C(=O)C2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1 | 0 |
COc1ccc(N2C(=O)C3CCCN3C2c2cccc(Br)c2)cc1 | 0 |
Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 | 0 |
Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 | 0 |
O=C(CN1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 | 0 |
Cc1nc2cc(N3CCCCC3)c(NC(=O)c3cccnc3)cc2c(=O)n1Cc1ccccc1 | 0 |
O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccs1 | 0 |
CSc1nc(N)nc(SCC(=O)c2ccccc2)c1C#N | 0 |
CC(C)CCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C | 0 |
Cc1ccc(CSc2nnc(-c3ccco3)n2N)cc1 | 0 |
Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccccc3C)c(=O)[nH]c2c1 | 0 |
O=C(NCc1ccco1)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1 | 0 |
CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(N(C)C)cc2)NC(=O)N1 | 0 |
Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3c(c2=O)SCC3)cc1 | 0 |
Cc1cc(N2CCCCC2)nc(SCC(=O)c2ccccc2)n1 | 0 |
COc1cc2cc(CN(Cc3cccnc3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1OC | 0 |
CN1CCN(c2ccccc2NC(=O)C(Cc2ccccc2)n2cccc2)CC1 | 0 |
End of preview.
No dataset card yet
New: Create and edit this dataset card directly on the website!
Contribute a Dataset Card- Downloads last month
- 0