Datasets:
SupraBench
/
vqa

Dataset card Data Studio Files
xet
 Community
1
molecule_id
int64
1
2.6k
image
stringlengths
12
15
role
stringclasses
2 values
names_alias_set
stringlengths
2
1.31k
⌀
cano_smiles
stringlengths
1
764
⌀
1,715
images/1715.png
molecule
(1R,2R)-2-methylcyclohexan-1-ol|Trans-2-methylcyclohexanol
CC1CCCCC1O
1,716
images/1716.png
molecule
phenylacetate
[O-]C(=O)Cc1ccccc1
1,717
images/1717.png
molecule
3-methylcyclohexan-1-ol|3-methylcyclohexanol
CC1CCCC(C1)O
1,721
images/1721.png
molecule
cis-4-methylcyclohexanol
C[C@@H]1CC[C@@H](CC1)O
1,722
images/1722.png
molecule
trans-4-methylcyclohexanol
C[C@@H]1CC[C@H](CC1)O
1,727
images/1727.png
molecule
Fluconazole
null
1,731
images/1731.png
molecule
1-Hexylammonium
null
1,732
images/1732.png
molecule
octan-2-aminium
CCCCCCC([NH3+])C
1,734
images/1734.png
molecule
(D/L)-Phe-perylene-diimides
null
1,735
images/1735.png
molecule
Dimethyl carbonate
COC(=O)OC
1,736
images/1736.png
molecule
2-methyl-1,3-dioxolane|Methyldioxolane
CC1OCCO1
1,738
images/1738.png
host
PEG12BU
null
1,739
images/1739.png
molecule
1,4-dioxene
C1COC=CO1
1,742
images/1742.png
molecule
2,3-diazabicyclo[3.2.2]non-2-ene
null
1,743
images/1743.png
molecule
1-isopropyl-4-methyl-diazabicyclooctaene
null
1,744
images/1744.png
molecule
1-phenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
null
1,748
images/1748.png
host
i-Cx4-3C
null
1,749
images/1749.png
molecule
1,8-naphthalimide dicarboxylate
[O-]C(CN(CC([O-])=O)CCN1C(C2=CC=CC3=CC=CC(C1=O)=C23)=O)=O.[Na+].[Na+]
1,751
images/1751.png
molecule
Citrate
[O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O
1,752
images/1752.png
molecule
Tartrate
OC(C(C(=O)[O-])O)C(=O)[O-]
1,754
images/1754.png
molecule
Disodium sulfide|Sodium sulfide|Sodium sulfide hydrate
[Na+].[Na+].[S-2]
1,755
images/1755.png
molecule
Sodium hydrosulfide hydrate|sodium;sulfanide;hydrate
O.[Na+].[SH-]
1,756
images/1756.png
molecule
TBABr|Tetrabutylammonium bromide
CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
1,757
images/1757.png
molecule
CESIUM BROMIDE|Cesium bromide|cesium;bromide
[Br-].[Cs+]
1,759
images/1759.png
host
Potassium iodide
null
1,760
images/1760.png
molecule
Thiophene|thiophene
C1=CSC=C1
1,761
images/1761.png
molecule
Oxazole
null
1,764
images/1764.png
molecule
2-Naphthyl-polyethylene-glycol|2-Naphthyl-polyethylene-glycol-polymer
O=C(NC1=CC2=CC=CC=C2C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
1,774
images/1774.png
molecule
Tetrabutylammonium periodate
null
1,778
images/1778.png
host
c = 700.0 µM|c = 770.0 µM
null
1,779
images/1779.png
host
c = 770.0 µM
null
1,789
images/1789.png
host
Bn12F60Bambu
null
1,794
images/1794.png
molecule
1-butyl-3-methylimidazol-3-ium;hexafluorophosphate|1-butyl-3-methylimidazolium hexafluorophosphate|[C4mim][PF6]
CCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
1,801
images/1801.png
molecule
(2R)-[4-(2-Methylpropyl)phenyl]propanoate
CC(Cc1cccc(c1)[C@H](C(=O)[O-])C)C
1,802
images/1802.png
molecule
(2S)-2-[4-(2-Methylpropyl)phenyl]propanoate
CC(Cc1ccc(cc1)[C@@H](C(=O)[O-])C)C
1,803
images/1803.png
molecule
HCO3
null
1,806
images/1806.png
molecule
(2S)-2-acetamido-4-methylpentanoate
null
1,807
images/1807.png
molecule
(2R)-2-acetamido-4-methylpentanoic acid
CC(C[C@H](C(=O)[O-])NC(=O)C)C
1,808
images/1808.png
molecule
(S)-α-Methoxyphenylacetate
CO[C@@H](c1ccccc1)C(=O)[O-]
1,809
images/1809.png
molecule
(R)-α-Methoxyphenylacetate
CO[C@H](c1ccccc1)C(=O)[O-]
1,810
images/1810.png
molecule
acetyl-L-leucinate
CC(C[C@@H](C(=O)[O-])NC(=O)C)C
1,812
images/1812.png
molecule
Mesylate
null
1,813
images/1813.png
molecule
(S)-(+)-Mandelate
O[C@@H](C1=CC=CC=C1)C([O-])=O
1,814
images/1814.png
molecule
(R)-(−)-Mandelate
O[C@H](C1=CC=CC=C1)C([O-])=O
1,815
images/1815.png
molecule
(2R)-pyrrolidine-2-carboxylate
null
1,816
images/1816.png
molecule
(2S)-pyrrolidine-2-carboxylate
null
1,818
images/1818.png
host
c = 700.0 µM
null
1,819
images/1819.png
host
4-trifluoromethylthiobenzyl-BU
null
1,822
images/1822.png
host
3,5-trifluoromethylbenzyl-BU
null
1,824
images/1824.png
molecule
Triflate|Triflate ion
FC(S(=O)(=O)[O-])(F)F
1,825
images/1825.png
molecule
Perrhenate|Perrhenate ion
[O-][Re](=O)(=O)=O
1,826
images/1826.png
molecule
Thiocyanate
[S-]C#N
1,827
images/1827.png
host
2-hydroxyethylamide-BU
null
1,829
images/1829.png
molecule
Peroxydisulfate
[O-]S(=O)(=O)OOS(=O)(=O)[O-]
1,833
images/1833.png
molecule
1,1'-Bis(5-carboxypentyl)-4,4'-bipyridinium|​Bis(5-​carboxypenty) Viologen
OC(=O)CCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCC(=O)O.[Br-].[Br-]
1,834
images/1834.png
molecule
1,1'-Methyl-4,4'-bispyridinium ethylene|ethylene viologen
C[n+]1ccc(cc1)/C=C/c1cc[n+](cc1)C
1,840
images/1840.png
molecule
F-|Fluoride anion
[F-]
1,841
images/1841.png
molecule
Cyanide
null
1,844
images/1844.png
host
o-Xylyleneglycoluriltetramer
null
1,850
images/1850.png
molecule
4-Methylbenzenesulfonate
null
1,851
images/1851.png
molecule
3,​5-​bis(phenylmethoxy)​-Benzoate anion
null
1,856
images/1856.png
molecule
Pyridinium, 1,​1'-​[(2-​carboxy-​1,​4-​phenylen...|Pyridinium, 1,​1'-​[(2-​carboxy-​1,​4-​phenylene)​bis(methylene)​]​bis-​|Pyridinium, 1,​1'-​[(2-​carboxy-​1,​4-​phenylene)​bis(methylene)​]​bis-​, chloride
OC(=O)c1cc(ccc1C[n+]1ccccc1)C[n+]1ccccc1
1,857
images/1857.png
molecule
Pyridinium, 1,​1'-​[[2-​(methoxycarbonyl)​-​1,​...|Pyridinium, 1,​1'-​[[2-​(methoxycarbonyl)​-​1,​4-​phenylene]​bis(methylene)​]​bis-
O=C(OC)C1=CC(C[N+]2=CC=CC=C2)=CC=C1C[N+]3=CC=CC=C3
1,861
images/1861.png
molecule
1-ethyl-3-methylimidazol-3-ium;chloride|1-ethyl-3-methylimidazolium chloride|[C2mim]Cl
CCN1C=C[N+](=C1)C.[Cl-]
1,863
images/1863.png
molecule
1-(2-carboxyethyl)-3,5-dimethyl-Pyridinium|Pyridinium, 1-​(2-​carboxyethyl)​-​3,​5-​dimethyl-​
OC(=O)CC[n+]1cc(C)cc(c1)C
1,873
images/1873.png
molecule
1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(p...|1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(pyridin-1-ium)|Pyridinium, 1,​1'-​[3-​(methoxycarbonyl)​-​1,​5-​pentanediyl]​bis-
COC(=O)C(CC[n+]1ccccc1)CC[n+]1ccccc1
1,874
images/1874.png
molecule
1H-​Imidazolium, 3-​butyl-​1-​methyl-​, bromide|[C4Mim]Br
CCCC[N+]1=CN(C)C=C1.[Br-]
1,875
images/1875.png
molecule
[C2mim]Br
null
1,876
images/1876.png
host
Bisglycouril tetraoxypropylsulphite sodium
null
1,880
images/1880.png
molecule
1,4-phenylenedimethanol
OCc1ccc(cc1)CO
1,881
images/1881.png
molecule
1,4-diaminobenzene
Nc1ccc(cc1)N
1,882
images/1882.png
molecule
1,3-phenylenedimethanaminium chloride
[NH3+]Cc1cccc(c1)C[NH3+].[Cl-].[Cl-]
1,883
images/1883.png
molecule
1,1'-(3-carboxypentane-1,5-diyl)dipyridinium|1,1'-(3-carboxypentane-1,5-diyl)dipyridinium dichloride
OC(=O)C(CC[n+]1ccccc1)CC[n+]1ccccc1
1,885
images/1885.png
molecule
N1,N1'-(1,4-phenylenebis(methylene))bis(propane-1,3-diaminium) chloride|N1,N1'-(1,4-phenylenebis(methylene))bis(propane...
[NH3+]CCC[NH2+]Cc1ccc(cc1)C[NH2+]CCC[NH3+].[Cl-].[Cl-].[Cl-].[Cl-]
1,887
images/1887.png
molecule
sodium 3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydr...|sodium 3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dipropionate
[Na]OC(=O)CCN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CCC(=O)O[Na]
1,888
images/1888.png
molecule
2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lm...
null
1,891
images/1891.png
molecule
N-Methylquinolinium iodide
null
1,892
images/1892.png
molecule
N-Methylacridinium iodide
C[N+]1=C2C=CC=CC2=CC3=CC=CC=C31.[I-]
1,893
images/1893.png
molecule
[C2mim][BF4]
null
1,894
images/1894.png
molecule
Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (9CI)|crystal violet
C/[N+](C)=C1C=C/C(C=C/1)=C(C2=CC=C(N(C)C)C=C2)\C3=CC=C(N(C)C)C=C3.[Cl-]
1,895
images/1895.png
molecule
safranin O
null
1,896
images/1896.png
molecule
2-[p-(Dimethylamino)phenyl]-3,6-dimethylbenzothiazolium chloride (7CI)|Thioflavin T
Cc1ccc2c(c1)sc([n+]2C)c1ccc(cc1)N(C)C.[Cl-]
1,898
images/1898.png
molecule
3,​6-​Acridinediamine, conjugate acid|Proflavin protonated
Nc1ccc2c(c1)[nH]c1-c(c2)ccc(=[NH2+])c1
1,899
images/1899.png
molecule
3,​6-​Acridinediamine, N3,​N3,​N6,​N6-​tetramethyl-​, hydrochloride|acridine orange H+
CN(C)C1=CC(NC(C(C=C/2)=C3)=CC2=[N+](C)/C)=C3C=C1
1,900
images/1900.png
molecule
6-(dimethylamino)acridin-3(10H)-one
O=C1C=C2SC3=CC(N(C)C)=CC=C3N=C2C=C1
1,902
images/1902.png
host
Methylated Propanediurea Clip
null
1,903
images/1903.png
host
Propanediurea Clip
null
1,904
images/1904.png
host
Glycoluril dimer clip
null
1,905
images/1905.png
host
mPheCB[6]
null
1,906
images/1906.png
molecule
(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione|Camptothecin
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
1,907
images/1907.png
molecule
Ziprasidone
null
1,908
images/1908.png
molecule
PBS-1086
O=C1C=C(NC(=O)c2cc3ccccc3nc2O)[C@@H]([C@H]2[C@@H]1O2)O
1,910
images/1910.png
host
Dimetoxinaphtaleneglycoluril
null
1,911
images/1911.png
host
Dimetoxixylyleneglycoluril dimer
null
1,912
images/1912.png
host
Dimetoxinaphtaleneglycoluril dimer
null
1,913
images/1913.png
host
Dimetoxixylyleneglycoluril trimer
null
1,914
images/1914.png
host
Dimetoxinaphtaleneglycoluril trimer
null
1,915
images/1915.png
host
Dimetoxixylyleneglycoluril tetramer
null
1,916
images/1916.png
host
Dimetoxinaphtaleneglycoluril tetramer
null
1,917
images/1917.png
molecule
Bis Paraquat
C[n+]1ccc(cc1)c1cc[n+](cc1)CCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C