Download all: TSV | JSON | SMILES | SDF
Name Datapoints Molecules Source Browse Files
SAMPL8 24 21 SAMPL8 Github repository SAMPL8 TSV | JSON | SMILES | SDF
Hunt 2430 2237 Hunt_et al.(2020) Hunt TSV | JSON | SMILES | SDF
Jensen 53 48 Jensen_et al.(2017) Jensen TSV | JSON | SMILES | SDF
Novartis 280 280 Baltruschat et al.(2020) Novartis TSV | JSON | SMILES | SDF
Caine 78 71 Caine et al.(2020) Caine TSV | JSON | SMILES | SDF
Datawarrior 7495 6050 Datawarrior website Datawarrior TSV | JSON | SMILES | SDF
AttenGpKa training set 13556 10384 An et al.(2024) AttenGpKa training set TSV | JSON | SMILES | SDF
QSARToolbox 24609 12341 QSARToolbox website QSARToolbox TSV | JSON | SMILES | SDF
OCHEM 20708 11112 OCHEM website OCHEM TSV | JSON | SMILES | SDF
SAMPL6 31 24 SAMPL6 Github repository SAMPL6 TSV | JSON | SMILES | SDF
AvLiLuMoVe 123 123 Baltruschat et al.(2020) AvLiLuMoVe TSV | JSON | SMILES | SDF
IUPAC digitized pKa 18513 8180 IUPAC digitized pKa dataset Zenodo IUPAC digitized pKa TSV | JSON | SMILES | SDF
Baltruschat ChEMBL 7752 6093 Baltruschat et al.(2020) Baltruschat ChEMBL TSV | JSON | SMILES | SDF
Settimo 622 426 Settimo et al.(2014) Settimo TSV | JSON | SMILES | SDF
Organic Oxygen Acids and Nitrogen Bases 1143 1123 Yu et al.(2010) Organic Oxygen Acids and Nitrogen Bases TSV | JSON | SMILES | SDF
Manchester 142 85 Manchester et al.(2010) Manchester TSV | JSON | SMILES | SDF
SAMPL7 20 20 SAMPL7 Github repository SAMPL7 TSV | JSON | SMILES | SDF
euroSAMPL1 35 35 euroSAMPL1 Gitlab repository euroSAMPL1 TSV | JSON | SMILES | SDF