Datasets:
hheiden
/
USPTO_OCSR_benchmark

Dataset card Data Studio Files
xet
 Community
id
stringlengths
26
26
image
imagewidth (px)
118
1.88k
mol
stringlengths
951
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smiles
stringlengths
12
280
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selfies
stringlengths
42
1.15k
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inchi
stringlengths
45
896
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USRE039991-20080101-C00586
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USRE039991-20080101-C00587
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USRE039991-20080101-C00588
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USRE039991-20080101-C00589
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USRE039991-20080101-C00590
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USRE039991-20080101-C00591
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USRE039991-20080101-C00592
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USRE039991-20080101-C00593
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COCCC(=O)Oc1c(OC)ccnc1C(=O)Nc1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1
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USRE039991-20080101-C00594
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USRE039991-20080101-C00595
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COCCC(=O)Oc1c(OC)ccnc1C(=O)Nc1ccc(/C(=N/OC)c2cccc(C(F)(F)F)c2)cc1
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USRE039991-20080101-C00597
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USRE039991-20080101-C00601
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COCCC(=O)Oc1c(OC)ccnc1C(=O)Nc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
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USRE039991-20080101-C00604
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USRE039991-20080101-C00605
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USRE040000-20080108-C00003
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USRE040033-20080122-C00003
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USRE040033-20080122-C00005
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Cc1cc(C(=O)N2CCN(C)CC2)c(Nc2ccccc2N)s1
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InChI=1S/C17H22N4OS/c1-12-11-13(17(22)21-9-7-20(2)8-10-21)16(23-12)19-15-6-4-3-5-14(15)18/h3-6,11,19H,7-10,18H2,1-2H3
USRE040033-20080122-C00009
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Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1
[C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][P]
InChI=1S/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3
USRE040033-20080122-C00013
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COC(=O)c1cc(C)sc1N
[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][N]
InChI=1S/C7H9NO2S/c1-4-3-5(6(8)11-4)7(9)10-2/h3H,8H2,1-2H3