image imagewidth (px) 72 3.59k | id stringlengths 38 51 | hardcase_label listlengths 0 20 | symbols listlengths 1 250 | charges listlengths 1 250 | radicals listlengths 1 250 | valences listlengths 1 250 | isotopes listlengths 1 250 | attach_points listlengths 1 250 | coords listlengths 1 250 | bonds listlengths 0 291 | brackets listlengths 0 5 | source null |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
10.1021_jacs.5c07242_1_figure_0_mol_0.jpg | [
"Contamination Information",
"Special Bond Format",
"Untokenizable Atom/Ion/Functional Group Present",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"R-group Atoms Represented by Patterns",
"Uncertain R Position on Benzene Ring",
"Colored Background, Bold, Colored Te... | [
"C",
"C",
"C",
"C",
"C",
"P",
"C",
"C",
"C",
"Se",
"Se",
"C",
"C",
"C",
"P",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"[Rα]",
"[Rβ]",
"[Rγ]",
"[Rδ]",
"[Rε]",
"[Rζ]",
"[Rη]",
"[Rθ]"... | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null... | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null... | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null... | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null... | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null... | [
[
17.5315,
-14.2144
],
[
17.5315,
-13.2446
],
[
18.2173,
-12.5589
],
[
18.978001,
-12.1231
],
[
18.952999,
-13.0696
],
[
17.5315,
-11.8731
],
[
17.5315,
-10.6367
],
[
16.6917,
-10.1518
],
[
16.6917,
-9.182
],
... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
27,
1
],
[
2,
3,
1
],
[
2,
4,
1
],
[
2,
5,
1
],
[
5,
6,
1
],
[
5,
27,
1
],
[
6,
7,
1
],
[
7,
8,
1
],
[
7,
33,
2
... | [] | null | |
10.1021_jacs.5c07242_2_figure_0_mol_8.jpg | [
"Contamination Information",
"Additional Information at Screenshot Boundary"
] | [
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
7.0685,
-10.225
],
[
7.9345,
-9.725
],
[
7.9345,
-8.725
],
[
8.8005,
-8.225
],
[
9.6665,
-8.725
],
[
10.5326,
-8.225
],
[
11.3986,
-8.725
],
[
10.5326,
-7.225
],
[
9.6665,
-9.725
],
[
8.8005,
-10.22... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
9,
1
],
[
2,
3,
1
],
[
3,
4,
2
],
[
4,
5,
1
],
[
4,
8,
1
],
[
5,
6,
1
],
[
5,
7,
2
],
[
8,
9,
2
]
] | [] | null | |
10.1021_jacs.5c07242_4_figure_0_mol_6.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Additional Information at Screenshot Boundary",
"Charge Symbol",
"Blurry or Unclear Image",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics"
] | [
"C",
"C",
"C",
"C",
"C",
"P",
"C",
"C",
"C",
"C",
"C",
"F",
"C",
"C",
"Se",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
1,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
10.2525,
-7.03
],
[
9.7525,
-7.896
],
[
8.7866,
-8.1549
],
[
7.8457,
-8.0887
],
[
8.2278,
-7.3639
],
[
9.0454,
-9.1208
],
[
8.0509,
-9.2253
],
[
7.843,
-10.2035
],
[
6.977,
-10.7035
],
[
6.977,
-11.... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
15,
1
],
[
2,
3,
1
],
[
2,
4,
1
],
[
2,
5,
1
],
[
5,
6,
1
],
[
5,
14,
1
],
[
5,
15,
1
],
[
6,
7,
1
],
[
7,
8,
1
... | [] | null | |
10.1021_jacs.5c07242_6_figure_0_mol_1.jpg | [
"Special Atom/Ion/Functional Group Format",
"Colored Background, Bold, Colored Text",
"Blurry or Unclear Image",
"Special Bond Format",
"Colored Background on Bonds"
] | [
"[Boc]",
"N",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"N",
"C",
"C",
"C",
"C",
"C",
"N",
"[Cbz]",
"C",
"[OtBu]",
"O"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
7.6093,
-10.85
],
[
8.4753,
-10.35
],
[
9.3413,
-10.85
],
[
9.3413,
-11.85
],
[
8.4753,
-12.35
],
[
7.6093,
-11.85
],
[
6.7432,
-12.35
],
[
6.7432,
-13.35
],
[
7.6093,
-13.85
],
[
8.4753,
-13.35
]... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
2,
10,
1
],
[
3,
4,
1
],
[
4,
5,
1
],
[
4,
9,
2
],
[
5,
6,
2
],
[
6,
7,
1
],
[
7,
8,
2
],
[
8,
9,
1
],
[
10,
11,
2
... | [] | null | |
10.1021_jacs.5c07242_6_figure_0_mol_15.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"C",
"C",
"N",
"C",
"C",
"N",
"[Boc]",
"C",
"C",
"C",
"O",
"C",
"[OtBu]",
"O"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
9.8645,
-8.34
],
[
9.8645,
-9.34
],
[
8.9985,
-9.84
],
[
8.1325,
-9.34
],
[
7.2664,
-9.84
],
[
6.4004,
-9.34
],
[
5.5344,
-9.84
],
[
7.2664,
-10.84
],
[
8.1325,
-11.34
],
[
6.4004,
-11.34
],
[
... | [
[
1,
2,
1
],
[
1,
11,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
10,
2
],
[
4,
5,
1
],
[
5,
6,
1
],
[
7,
8,
1
],
[
7,
9,
1
],
[
11,
12,
1
],
[
11,
13,
... | [] | null | |
10.1021_jacs.5c07261_3_figure_0_mol_16.jpg | [
"Contamination Information",
"Blurry or Unclear Image",
"Special Bond",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Colored Background, Bold, Colored Text",
"Wavy Bond"
] | [
"C",
"C",
"O",
"C",
"N",
"O"
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
null,
1,
null,
null,
null,
null
] | [
[
6.5072,
-10.1975
],
[
6.5035,
-9.2025
],
[
7.4488,
-8.8915
],
[
8.0367,
-9.6944
],
[
7.4548,
-10.5016
],
[
9.0367,
-9.6907
]
] | [
[
0,
1,
2
],
[
0,
4,
1
],
[
4,
3,
1
],
[
3,
2,
1
],
[
2,
1,
1
],
[
3,
5,
2
]
] | [] | null | |
10.1021_jacs.5c07349_0_figure_0_mol_1.jpg | [
"Contamination Information",
"Blurry or Unclear Image",
"Special Bond Format",
"Untokenizable Atom/Ion/Functional Group Present",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Large Solid Color Areas or Image Background",
"Colored Background on Bonds",
... | [
"C",
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"C",
"C",
"O",
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"N",
"C",
"C",
"N",
"N",
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"C",
"[GROUPα]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
3.934,
-7.425
],
[
3.934,
-8.425
],
[
4.8,
-8.925
],
[
5.666,
-8.425
],
[
5.666,
-7.425
],
[
4.8,
-6.925
],
[
6.532,
-6.925
],
[
7.4925,
-7.1854
],
[
6.8129,
-5.9528
],
[
7.7606,
-6.2109
],
[
... | [
[
5,
0,
1
],
[
0,
1,
1
],
[
1,
2,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
4,
5,
1
],
[
6,
7,
1
],
[
7,
9,
1
],
[
9,
8,
1
],
[
8,
6,
1
],
[
6,
4,
5
],... | [] | null | |
10.1021_jacs.5c07349_1_figure_1_mol_3.jpg | [
"Special Bond",
"Special Bond Format",
"Wavy Bond",
"Other Issues Present"
] | [
"C",
"C",
"C",
"N",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
1,
null,
null,
null,
null,
null
] | [
[
6.8464,
-8.5297
],
[
7.3483,
-7.6653
],
[
8.3465,
-7.6671
],
[
8.8449,
-8.5294
],
[
8.3467,
-9.3991
],
[
7.3485,
-9.4011
]
] | [
[
0,
1,
1
],
[
0,
5,
1
],
[
1,
2,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
4,
5,
1
]
] | [] | null | |
10.1021_jacs.5c07524_1_figure_0_mol_4.jpg | [
"Contamination Information",
"Additional Information at Screenshot Boundary"
] | [
"[R]",
"C",
"C",
"C",
"O",
"N",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
9.4088,
-7.6
],
[
9.4088,
-8.6
],
[
10.2748,
-9.1
],
[
10.2748,
-10.1
],
[
11.1408,
-10.6
],
[
9.4088,
-10.6
],
[
8.5428,
-10.1
],
[
8.5428,
-9.1
],
[
7.6767,
-8.6
],
[
6.8107,
-9.1
],
[
6.8... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
7,
1
],
[
2,
3,
1
],
[
3,
4,
2
],
[
3,
5,
1
],
[
5,
6,
1
],
[
6,
7,
2
],
[
6,
11,
1
],
[
7,
8,
1
],
[
8,
9,
2
]... | [] | null | |
10.1021_jacs.5c07524_1_figure_1_mol_16.jpg | [] | [
"O",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"N"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
15.1803,
-12.1408
],
[
14.3143,
-11.6408
],
[
14.3143,
-10.6408
],
[
13.4482,
-10.1408
],
[
13.4482,
-9.1408
],
[
14.3143,
-8.6408
],
[
14.3143,
-7.6408
],
[
13.4482,
-7.1408
],
[
12.5822,
-7.6408
],
[
... | [
[
0,
1,
2
],
[
1,
2,
1
],
[
1,
16,
1
],
[
2,
3,
1
],
[
3,
10,
1
],
[
4,
5,
2
],
[
4,
9,
1
],
[
5,
6,
1
],
[
6,
7,
2
],
[
7,
8,
1
],
[
8,
9,
2
... | [] | null | |
10.1021_jacs.5c07524_2_table_0_mol_0.jpg | [] | [
"C",
"N",
"C",
"O",
"C",
"C",
"[Ph]",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
10.938,
-10.6731
],
[
10.9451,
-9.6271
],
[
11.8195,
-9.1635
],
[
12.6884,
-9.7216
],
[
11.8509,
-8.1654
],
[
10.9992,
-7.6318
],
[
11.0432,
-6.669
],
[
10.1167,
-8.0992
],
[
10.0875,
-9.0953
],
[
9.223... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
8,
1
],
[
2,
3,
2
],
[
2,
4,
1
],
[
4,
5,
2
],
[
5,
6,
1
],
[
5,
7,
1
],
[
7,
8,
2
],
[
7,
12,
1
],
[
8,
9,
1
]... | [] | null | |
10.1021_jacs.5c07524_2_table_0_mol_1.jpg | [] | [
"C",
"N",
"C",
"O",
"C",
"C",
"[Ph]",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
10.3989,
-11.775
],
[
10.3989,
-10.775
],
[
11.265,
-10.275
],
[
12.131,
-10.775
],
[
11.265,
-9.275
],
[
10.3989,
-8.775
],
[
10.3989,
-7.775
],
[
9.5329,
-9.275
],
[
9.5329,
-10.275
],
[
8.6669,
-... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
8,
1
],
[
2,
3,
2
],
[
2,
4,
1
],
[
4,
5,
1
],
[
5,
6,
1
],
[
5,
7,
1
],
[
7,
8,
2
],
[
7,
12,
1
],
[
8,
9,
1
]... | [] | null | |
10.1021_jacs.5c07524_3_table_0_mol_2.jpg | [] | [
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"S",
"[Ph]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
4.0098,
-10.1751
],
[
5.7402,
-10.1746
],
[
4.8766,
-9.675
],
[
5.7402,
-11.1755
],
[
4.0098,
-11.18
],
[
4.8788,
-11.675
],
[
6.6046,
-9.6762
],
[
7.4718,
-10.1765
],
[
6.6108,
-11.6779
],
[
7.474,
... | [
[
2,
0,
2
],
[
0,
4,
1
],
[
4,
5,
2
],
[
5,
3,
1
],
[
3,
1,
2
],
[
1,
2,
1
],
[
3,
8,
1
],
[
8,
9,
1
],
[
9,
7,
1
],
[
7,
6,
1
],
[
6,
1,
1
],... | [] | null | |
10.1021_jacs.5c07821_1_figure_1_mol_2.jpg | [
"Contamination Information",
"Untokenizable Atom/Ion/Functional Group Present",
"Special Atom/Ion/Functional Group Format",
"Large Solid Color Areas or Image Background",
"R-group Atoms Represented by Patterns",
"Colored Background, Bold, Colored Text"
] | [
"[Rα]",
"N",
"C",
"C",
"[Rβ]",
"[Rγ]",
"C"
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
[
10.6558,
-7.5395
],
[
10.6558,
-8.5395
],
[
11.3629,
-9.2466
],
[
10.6558,
-9.9537
],
[
10.0487,
-10.9109
],
[
11.0879,
-10.8609
],
[
9.9487,
-9.2466
]
] | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
6,
1
],
[
2,
3,
1
],
[
3,
4,
5
],
[
3,
5,
6
],
[
3,
6,
1
]
] | [] | null | |
10.1021_jacs.5c07821_2_figure_0_mol_11.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"[Me]",
"N",
"[Ts]",
"C",
"C",
"C",
"C",
"C",
"C",
"[Bpin]",
"C",
"N",
"[Boc]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
7.2328,
-10.4536
],
[
8.0988,
-9.9536
],
[
8.0988,
-8.9536
],
[
8.9648,
-10.4536
],
[
9.8308,
-9.9536
],
[
9.8308,
-8.9536
],
[
10.6969,
-10.4536
],
[
11.5629,
-9.9536
],
[
11.8217,
-8.9877
],
[
11.3217... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
3,
1
],
[
3,
4,
1
],
[
4,
5,
2
],
[
4,
6,
1
],
[
7,
8,
1
],
[
7,
11,
1
],
[
8,
10,
1
],
[
10,
11,
1
],
[
11,
12,
... | [] | null | |
10.1021_jacs.5c07821_4_figure_0_mol_12.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text",
"Special Atom/Ion/Functional Group",
"Functional Group Name Too Long"
] | [
"C",
"C",
"C",
"[OP(O)(OMe)2]"
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
[
8.5253,
-12.3811
],
[
9.5253,
-12.3811
],
[
10.0253,
-13.2471
],
[
11.8753,
-13.2221
]
] | [
[
0,
1,
2
],
[
1,
2,
1
],
[
2,
3,
1
]
] | [] | null | |
10.1021_jacs.5c07821_4_figure_0_mol_3.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"[R]",
"C",
"C",
"N",
"C",
"C",
"O",
"C",
"[HO2C]",
"C",
"N",
"C",
"C",
"C",
"O",
"[CO2H]",
"[CO2H]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
12.5101,
-8.4037
],
[
12.5101,
-9.4037
],
[
11.6441,
-9.9037
],
[
10.7781,
-9.4037
],
[
10.5193,
-8.4378
],
[
9.5533,
-8.6966
],
[
8.6873,
-8.1966
],
[
9.8122,
-9.6625
],
[
9.3122,
-10.5286
],
[
13.3762... | [
[
1,
2,
1
],
[
1,
9,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
7,
1
],
[
4,
5,
1
],
[
5,
7,
1
],
[
9,
10,
1
],
[
10,
11,
1
],
[
11,
12,
1
],
[
12,
13,
... | [] | null | |
10.1021_jacs.5c07821_5_figure_0_mol_1.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"[D]",
"C",
"[D]",
"C",
"[Ph]",
"C",
"C",
"N",
"[Boc]",
"C",
"C",
"[Bpin]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
10.8439,
-8.9067
],
[
11.3439,
-9.7727
],
[
10.8439,
-10.6387
],
[
12.3439,
-9.7727
],
[
12.8439,
-10.6387
],
[
12.8439,
-8.9067
],
[
13.8439,
-8.9067
],
[
14.551,
-9.6138
],
[
14.551,
-10.6138
],
[
15.... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
3,
2
],
[
3,
4,
1
],
[
3,
5,
1
],
[
6,
7,
1
],
[
6,
10,
1
],
[
7,
8,
1
],
[
7,
9,
1
],
[
9,
10,
1
],
[
6,
5,
5
... | [] | null | |
10.1021_jacs.5c07856_4_figure_0_mol_31.jpg | [
"Special Bond Format",
"Untokenizable Atom/Ion/Functional Group Present",
"Special Atom/Ion/Functional Group Format",
"R-group Atoms Represented by Patterns",
"Colored Background on Bonds",
"Colored Ring Filling",
"Colored Background, Bold, Colored Text"
] | [
"[Rα]",
"N",
"C",
"C",
"N",
"C",
"C",
"Cl",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
11.4852,
-10.4964
],
[
11.1762,
-9.5454
],
[
10.2252,
-9.2363
],
[
9.3591,
-9.7363
],
[
8.4931,
-9.2363
],
[
8.4931,
-8.2363
],
[
9.3591,
-7.7363
],
[
9.3591,
-6.7363
],
[
10.2252,
-8.2363
],
[
11.1762,... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
10,
1
],
[
2,
3,
1
],
[
2,
8,
2
],
[
3,
4,
2
],
[
4,
5,
1
],
[
5,
6,
2
],
[
6,
7,
1
],
[
6,
8,
1
],
[
8,
9,
1
]... | [] | null | |
10.1021_jacs.5c07856_4_figure_0_mol_38.jpg | [
"Special Bond Format",
"Untokenizable Atom/Ion/Functional Group Present",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Ring Filling",
"Colored Background, Bold, Colored Text",
"R-group Atoms Represented by Patterns"
] | [
"[Rα]",
"N",
"N",
"C",
"C",
"[Bpin]",
"C"
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
[
10.3188,
-10.8575
],
[
10.06,
-9.8916
],
[
9.1264,
-9.5332
],
[
9.1788,
-8.5346
],
[
10.1447,
-8.2757
],
[
10.5031,
-7.3422
],
[
10.6893,
-9.1144
]
] | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
6,
1
],
[
2,
3,
2
],
[
3,
4,
1
],
[
4,
5,
1
],
[
4,
6,
2
]
] | [] | null | |
10.1021_jacs.5c07856_4_figure_0_mol_42.jpg | [
"Special Bond Format",
"Untokenizable Atom/Ion/Functional Group Present",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Ring Filling",
"Colored Background, Bold, Colored Text",
"R-group Atoms Represented by Patterns",
"Bonds Too Short"
] | [
"[Rα]",
"N",
"N",
"N",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
10.3372,
-10.9295
],
[
10.0282,
-9.9784
],
[
10.616,
-9.1694
],
[
10.0282,
-8.3604
],
[
9.0772,
-8.6694
],
[
9.0772,
-9.6694
],
[
8.2111,
-10.1694
],
[
7.3451,
-9.6694
],
[
7.3451,
-8.6694
],
[
8.2111,
... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
5,
1
],
[
2,
3,
2
],
[
3,
4,
1
],
[
4,
5,
1
],
[
4,
9,
2
],
[
5,
6,
2
],
[
6,
7,
1
],
[
7,
8,
2
],
[
8,
9,
1
]
... | [] | null | |
10.1021_jacs.5c07856_5_figure_0_mol_15.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"C",
"C",
"O",
"C",
"N",
"N",
"C",
"Cl",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
16.1642,
-10.4265
],
[
15.7102,
-9.5355
],
[
16.417299,
-8.8284
],
[
17.3083,
-9.2824
],
[
18.199301,
-8.8284
],
[
18.3557,
-7.8407
],
[
19.343399,
-7.6843
],
[
19.7974,
-6.7933
],
[
19.7974,
-8.5753
],
[
... | [
[
0,
1,
1
],
[
0,
14,
1
],
[
1,
2,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
14,
1
],
[
4,
5,
1
],
[
4,
9,
1
],
[
5,
6,
2
],
[
6,
7,
1
],
[
6,
8,
1
... | [] | null | |
10.1021_jacs.5c07856_5_figure_0_mol_7.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"C",
"[EtO2C]",
"C",
"N",
"N",
"C",
"Cl",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
10.6919,
-10.7807
],
[
9.7409,
-11.0897
],
[
10.8998,
-9.8025
],
[
11.8509,
-9.4935
],
[
12.0073,
-8.5058
],
[
12.995,
-8.3494
],
[
13.449,
-7.4584
],
[
13.449,
-9.2404
],
[
12.7419,
-9.9475
],
[
13.000... | [
[
0,
1,
1
],
[
0,
2,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
8,
1
],
[
4,
5,
2
],
[
5,
6,
1
],
[
5,
7,
1
],
[
7,
8,
1
],
[
7,
12,
2
],
[
8,
9,
2
]... | [] | null | |
10.1021_jacs.5c07856_5_figure_0_mol_9.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Bonds Too Thick",
"Colored Background, Bold, Colored Text"
] | [
"C",
"[Ph]",
"C",
"N",
"N",
"C",
"Cl",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
7.4385,
-12.0255
],
[
6.5475,
-12.4795
],
[
7.4908,
-11.0269
],
[
8.3819,
-10.5729
],
[
8.5383,
-9.5852
],
[
9.526,
-9.4287
],
[
9.98,
-8.5377
],
[
9.98,
-10.3198
],
[
9.2729,
-11.0269
],
[
9.5317,
... | [
[
0,
1,
1
],
[
0,
2,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
8,
1
],
[
4,
5,
2
],
[
5,
6,
1
],
[
5,
7,
1
],
[
7,
8,
1
],
[
7,
12,
2
],
[
8,
9,
2
]... | [] | null | |
10.1021_jacs.5c07856_6_figure_0_mol_10.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"O",
"C",
"C",
"C",
"C",
"N",
"C",
"C",
"N",
"C",
"C",
"Cl",
"C",
"Cl",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"O",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
9.3357,
-8.2339
],
[
8.3357,
-8.2339
],
[
7.8357,
-9.1
],
[
6.8357,
-9.1
],
[
6.3357,
-8.2339
],
[
6.8357,
-7.3679
],
[
6.3357,
-6.5019
],
[
6.8357,
-5.6359
],
[
7.8357,
-5.6359
],
[
8.3357,
-4.7698... | [
[
0,
1,
1
],
[
0,
19,
1
],
[
1,
2,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
4,
5,
1
],
[
5,
6,
1
],
[
5,
18,
1
],
[
6,
7,
1
],
[
7,
8,
1
],
[
8,
9,
1
... | [] | null | |
10.1021_jacs.5c07856_6_figure_0_mol_24.jpg | [
"Special Bond",
"Special Bond Format",
"Untokenizable Atom/Ion/Functional Group Present",
"Special Atom/Ion/Functional Group Format",
"R-group Atoms Represented by Patterns",
"Equal-width Chiral Bond",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"N",
"H",
"[Rα]",
"[Rβ]"
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
[
15.1502,
-8.8
],
[
15.1502,
-9.8
],
[
14.2842,
-8.3
],
[
16.016199,
-8.3
]
] | [
[
0,
1,
1
],
[
0,
2,
15
],
[
0,
3,
1
]
] | [] | null | |
10.1021_jacs.5c07856_6_figure_0_mol_25.jpg | [
"Untokenizable Atom/Ion/Functional Group Present",
"Special Atom/Ion/Functional Group Format",
"R-group Atoms Represented by Patterns",
"Colored Background, Bold, Colored Text"
] | [
"[Rβ]",
"C",
"[Bpin]",
"[Rγ]",
"[Rα]"
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
[
9.2421,
-9.9564
],
[
9.951,
-9.263
],
[
9.951,
-8.2436
],
[
10.7594,
-9.7431
],
[
8.9023,
-9.263
]
] | [
[
1,
2,
1
],
[
1,
3,
1
],
[
1,
4,
6
],
[
1,
0,
5
]
] | [] | null | |
10.1021_jacs.5c07856_7_figure_0_mol_12.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Colored Background on Bonds",
"Bonds Too Short",
"Colored Background, Bold, Colored Text"
] | [
"C",
"[CO2Me]",
"C",
"C",
"C",
"C",
"F",
"C",
"C",
"N",
"N"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
14.7013,
-8.0086
],
[
15.0103,
-7.0575
],
[
13.7502,
-8.3176
],
[
13.7502,
-9.3176
],
[
12.8842,
-9.8176
],
[
12.0182,
-9.3176
],
[
11.1522,
-9.8176
],
[
12.0182,
-8.3176
],
[
12.8842,
-7.8176
],
[
14.7... | [
[
0,
1,
1
],
[
0,
2,
1
],
[
0,
10,
2
],
[
2,
3,
1
],
[
2,
8,
2
],
[
3,
4,
2
],
[
3,
9,
1
],
[
4,
5,
1
],
[
5,
6,
1
],
[
5,
7,
2
],
[
7,
8,
1
]... | [] | null | |
10.1021_jacs.5c09111_4_figure_0_mol_3.jpg | [
"Blurry or Unclear Image",
"Special Bond",
"Special Atom/Ion/Functional Group",
"Dashed Bond",
"Valence Symbol",
"Other Issues Present",
"Contamination Information",
"Special Bond Format",
"Charge Symbol",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Bonds Too Long"
] | [
"C",
"C",
"C",
"C",
"C",
"W",
"[Me3P]",
"[Tp]",
"[NO]"
] | [
null,
null,
1,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
5.4808,
-8.842
],
[
6.9237,
-9.5771
],
[
6.4732,
-8.6894
],
[
6.216,
-10.2848
],
[
5.3282,
-9.8345
],
[
4.2003,
-7.8615
],
[
4.2003,
-6.3865
],
[
2.9843,
-8.4615
],
[
5.9162,
-7.2527
]
] | [
[
0,
4,
1
],
[
4,
3,
1
],
[
3,
1,
2
],
[
1,
2,
1
],
[
2,
0,
1
],
[
5,
0,
1
],
[
5,
4,
1
],
[
5,
2,
7
],
[
5,
6,
1
],
[
5,
7,
1
],
[
5,
8,
6
]
... | [] | null | |
10.1038_s41557-024-01570-5_14_figure_0_mol_5.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Ionic Bond between Separate Ion and Charged Atom",
"Charge Symbol",
"Additional Information at Screenshot Boundary",
"Large Solid Color Areas or Image Background"
] | [
"C",
"C",
"H",
"N",
"C",
"C",
"C",
"N",
"O",
"[R]",
"C",
"O",
"C",
"N",
"C",
"C",
"Cl"
] | [
null,
null,
null,
1,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
-1
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
16.2216,
-7.225
],
[
17.0966,
-8.8
],
[
17.3556,
-7.725
],
[
16.2306,
-8.3
],
[
15.3645,
-8.8
],
[
14.4985,
-8.3
],
[
13.6325,
-8.8
],
[
12.7665,
-8.3
],
[
11.9004,
-6.8
],
[
10.1684,
-6.8
],
[
... | [
[
3,
0,
1
],
[
3,
1,
1
],
[
3,
2,
1
],
[
4,
3,
1
],
[
5,
4,
1
],
[
6,
5,
1
],
[
7,
6,
1
],
[
10,
8,
2
],
[
10,
9,
1
],
[
11,
10,
1
],
[
12,
7,
2... | [] | null | |
10.1038_s41557-024-01570-5_14_figure_0_mol_6.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Colored Background, Bold, Colored Text",
"Ionic Bond between Separate Ion and Charged Atom",
"Charge Symbol",
"Colored Background on Bonds",
"Incomplete Screenshot",
"Special Bond",
"Cumulative... | [
"C",
"N",
"C",
"N",
"C",
"C",
"C",
"N",
"H",
"[?]",
"Cl",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
1,
null,
-1,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
12.0391,
-9.6075
],
[
12.841,
-10.0497
],
[
13.8394,
-9.5584
],
[
14.5922,
-9.1162
],
[
15.4431,
-9.6075
],
[
16.294201,
-9.1162
],
[
17.145201,
-9.6075
],
[
17.996201,
-9.1162
],
[
18.847099,
-8.6249
],
[
... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
2,
3,
2
],
[
3,
4,
1
],
[
4,
5,
1
],
[
5,
6,
1
],
[
6,
7,
1
],
[
7,
8,
1
],
[
7,
9,
1
],
[
7,
11,
1
],
[
0,
12,
1
... | [] | null | |
10.1038_s41557-024-01570-5_2_figure_0_mol_0.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Colored Background, Bold, Colored Text",
"Colored Background on Bonds",
"Charge Symbol"
] | [
"C",
"C",
"C",
"N",
"C",
"C",
"O",
"N",
"C",
"C",
"C",
"C",
"O",
"O",
"C",
"C",
"C",
"O",
"O",
"C",
"C",
"O",
"N",
"C",
"O"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
-1,
null,
null,
null,
-1,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
4.9854,
-11.26
],
[
5.8514,
-11.76
],
[
6.7175,
-11.26
],
[
7.5835,
-11.76
],
[
8.4495,
-11.26
],
[
8.4495,
-10.26
],
[
9.3155,
-9.76
],
[
7.5835,
-9.76
],
[
7.5835,
-8.76
],
[
8.4495,
-8.26
],
... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
23,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
20,
1
],
[
4,
5,
1
],
[
5,
6,
2
],
[
5,
7,
1
],
[
7,
8,
1
],
[
8,
9,
1
... | [] | null | |
10.1038_s41557-024-01603-z_1_figure_0_mol_18.jpg | [
"Contamination Information",
"Large Solid Color Areas or Image Background"
] | [
"N",
"N",
"C",
"C",
"C",
"N"
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
[
6.3994,
-4.0062
],
[
6.4841,
-5.6233
],
[
7.0277,
-4.7894
],
[
5.5174,
-5.3643
],
[
5.4635,
-4.3703
],
[
8.0015,
-4.7902
]
] | [
[
0,
4,
1
],
[
4,
3,
2
],
[
3,
1,
1
],
[
1,
2,
2
],
[
2,
0,
1
],
[
2,
5,
1
]
] | [] | null | |
10.1038_s41557-024-01603-z_7_figure_0_mol_1.jpg | [
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Charge Symbol",
"Colored Background, Bold, Colored Text"
] | [
"O",
"C",
"O",
"C",
"N",
"O",
"C",
"C",
"C",
"N",
"C",
"C",
"Br",
"C",
"C",
"Br",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
1,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
16.601601,
-8.4641
],
[
16.1476,
-7.5731
],
[
16.692301,
-6.7344
],
[
15.149,
-7.5208
],
[
14.6044,
-8.3594
],
[
15.2735,
-9.1026
],
[
13.6262,
-8.5674
],
[
13.3172,
-9.5184
],
[
13.905,
-10.3274
],
[
1... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
3,
1
],
[
3,
4,
1
],
[
4,
5,
1
],
[
4,
6,
1
],
[
6,
7,
2
],
[
7,
8,
1
],
[
7,
17,
1
],
[
8,
9,
2
],
[
9,
10,
1
... | [] | null | |
10.1038_s41557-024-01603-z_7_figure_0_mol_10.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Additional Information at Screenshot Boundary",
"Charge Symbol"
] | [
"O",
"C",
"O",
"C",
"N",
"C",
"C",
"C",
"N",
"C",
"C",
"Br",
"C",
"C",
"Br",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
1,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
11.8522,
-9.1547
],
[
11.1581,
-8.5116
],
[
11.5921,
-7.6855
],
[
10.18,
-8.5695
],
[
9.8709,
-9.5205
],
[
8.8928,
-9.7285
],
[
8.5838,
-10.6795
],
[
9.1716,
-11.4885
],
[
8.5838,
-12.2976
],
[
7.6327,
... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
3,
1
],
[
3,
4,
1
],
[
4,
5,
1
],
[
5,
6,
2
],
[
6,
7,
1
],
[
6,
16,
1
],
[
7,
8,
2
],
[
8,
9,
1
],
[
9,
10,
2
... | [] | null | |
10.1038_s41557-024-01603-z_7_figure_0_mol_13.jpg | [
"Contamination Information",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics"
] | [
"O",
"C",
"O",
"C",
"O"
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
[
18.1126,
-10.55
],
[
18.1126,
-9.55
],
[
18.9786,
-9.05
],
[
17.2465,
-9.05
],
[
16.380501,
-9.55
]
] | [
[
0,
1,
2
],
[
1,
2,
1
],
[
1,
3,
1
],
[
3,
4,
1
]
] | [] | null | |
10.1038_s41557-024-01603-z_7_figure_0_mol_7.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Additional Information at Screenshot Boundary",
"Radical (One Dot)/Lone Pair Electron (Two Dots) Symbol"
] | [
"N",
"C",
"[CO2H]",
"C",
"C",
"C",
"N",
"C",
"C",
"Br",
"C",
"C",
"Br",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
2,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
7.7115,
-9.6916
],
[
6.9332,
-9.0155
],
[
7.1887,
-8.0071
],
[
5.9459,
-9.2447
],
[
5.6787,
-10.15
],
[
6.2944,
-10.8719
],
[
5.76,
-11.6626
],
[
4.761,
-11.399
],
[
3.9363,
-11.8689
],
[
3.9363,
-1... | [
[
1,
2,
1
],
[
1,
3,
1
],
[
3,
4,
1
],
[
4,
5,
2
],
[
4,
14,
1
],
[
5,
6,
1
],
[
6,
7,
1
],
[
7,
8,
2
],
[
7,
14,
1
],
[
8,
9,
1
],
[
8,
10,
1
... | [] | null | |
10.1038_s41557-024-01687-7_4_figure_0_mol_0.jpg | [
"Contamination Information",
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Colored Background, Bold, Colored Text",
"Colored Background on Bonds",
... | [
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"O",
"C",
"O",
"C",
"S",
"C",
"C",
"O",
"C",
"O",
"C",
"O",
"O",
"C",
"C",
"C",
"O",
"O",
"N"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
2.1071,
-11.6116
],
[
2.6814,
-10.6229
],
[
3.4922,
-10.6292
],
[
3.7628,
-9.8574
],
[
3.2856,
-9.0184
],
[
3.9339,
-8.3065
],
[
3.5988,
-7.3499
],
[
4.801,
-8.7116
],
[
5.5601,
-8.1438
],
[
6.2785,
... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
3,
4,
1
],
[
3,
26,
1
],
[
4,
5,
1
],
[
5,
6,
1
],
[
5,
7,
1
],
[
7,
26,
1
],
[
8,
9,
1
],
[
8,
25,
2
],
[
10,
11,
1... | [] | null | |
10.1038_s41557-024-01687-7_6_figure_0_mol_12.jpg | [
"Special Bond",
"Equal-width Chiral Bond",
"3D Style",
"3D Black-and-White Image"
] | [
"O",
"C",
"C",
"C",
"C",
"C",
"C",
"[Tyr226]",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
12.2584,
-11.6376
],
[
12.6224,
-11.0387
],
[
13.4885,
-10.7371
],
[
14.001,
-10.0418
],
[
13.9412,
-9.1797
],
[
13.1518,
-9.4815
],
[
14.6495,
-8.3758
],
[
14.8486,
-7.4873
],
[
12.5281,
-10.443
]
] | [
[
0,
1,
1
],
[
1,
2,
5
],
[
2,
3,
18
],
[
4,
5,
2
],
[
4,
3,
5
],
[
4,
6,
1
],
[
6,
7,
1
],
[
1,
8,
2
],
[
5,
8,
1
]
] | [] | null | |
10.1038_s41557-024-01687-7_6_figure_0_mol_43.jpg | [
"Contamination Information",
"Additional Information at Screenshot Boundary"
] | [
"[Leu83']",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
[
12.3881,
-9.5914
],
[
13.3541,
-9.8502
],
[
14.0612,
-9.1431
],
[
15.0271,
-9.4019
],
[
13.8023,
-8.1772
]
] | [
[
0,
1,
1
],
[
1,
2,
1
],
[
2,
3,
1
],
[
2,
4,
1
]
] | [] | null | |
10.1038_s41557-024-01687-7_6_figure_0_mol_46.jpg | [
"Contamination Information",
"3D Style",
"Special Bond",
"Special Atom/Ion/Functional Group",
"Additional Information at Screenshot Boundary",
"3D Black-and-White Image",
"Dashed Bond",
"Equal-width Chiral Bond",
"Charge Symbol"
] | [
"C",
"O",
"N",
"C",
"C",
"C",
"[Trp140]",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"C",
"[Asp141]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
-1,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
5.2482,
-8.3805
],
[
5.2535,
-7.2417
],
[
5.2326,
-6.1257
],
[
6.1702,
-6.0443
],
[
6.3266,
-5.3066
],
[
7.2176,
-4.8526
],
[
8.0564,
-5.3973
],
[
5.4356,
-4.8526
],
[
5.1768,
-4.0867
],
[
4.2609,
-... | [
[
0,
1,
2
],
[
1,
2,
7
],
[
2,
3,
15
],
[
2,
12,
15
],
[
3,
4,
2
],
[
4,
5,
1
],
[
4,
7,
1
],
[
5,
6,
1
],
[
7,
8,
2
],
[
7,
12,
1
],
[
8,
9,
1
... | [] | null | |
10.1038_s41557-024-01687-7_6_figure_0_mol_50.jpg | [
"Contamination Information",
"Additional Information at Screenshot Boundary",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics"
] | [
"C",
"C",
"C",
"C",
"N",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
[
8.9255,
-2.9808
],
[
9.7345,
-3.5686
],
[
9.4255,
-4.5197
],
[
8.4255,
-4.5197
],
[
8.1165,
-3.5686
],
[
7.2505,
-3.0686
],
[
7.7184,
-5.2268
]
] | [
[
0,
4,
1
],
[
4,
3,
1
],
[
3,
2,
1
],
[
2,
1,
1
],
[
1,
0,
1
],
[
4,
5,
1
],
[
3,
6,
1
]
] | [] | null | |
10.1038_s41557-025-01745-8_7_figure_0_mol_0.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Additional Information at Screenshot Boundary",
"With Numbering"
] | [
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"N",
"S",
"C",
"C",
"C",
"[Me]",
"O",
"C",
"C",
"N",
"C",
"O",
"C",
"C",
"C",
"[OMe]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
2.5848,
-8.6751
],
[
4.3152,
-8.6746
],
[
3.4516,
-8.175
],
[
4.3152,
-9.6755
],
[
2.5848,
-9.68
],
[
3.4538,
-10.175
],
[
5.2671,
-8.3653
],
[
5.8555,
-9.1751
],
[
5.2671,
-9.9849
],
[
6.8555,
-9.1... | [
[
2,
0,
2
],
[
0,
4,
1
],
[
4,
5,
2
],
[
5,
3,
1
],
[
3,
1,
2
],
[
1,
2,
1
],
[
3,
8,
1
],
[
8,
7,
2
],
[
7,
6,
1
],
[
6,
1,
1
],
[
7,
9,
1
],... | [] | null | |
10.1038_s41557-025-01745-8_9_figure_0_mol_1.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Large Solid Color Areas or Image Background",
"Bonds Too Long",
"Ionic Bond between Separate Ion and Charged Atom",
"Charge Symbol"
] | [
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"N",
"S",
"C",
"C",
"N",
"C",
"C",
"C",
"C",
"O",
"Zn",
"S",
"S",
"S",
"S"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
1,
null,
null,
null,
null,
null,
null,
null,
null,
null,
-1
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
8.3754,
-10.4592
],
[
7.3754,
-10.4592
],
[
6.8754,
-11.3252
],
[
7.3754,
-12.1912
],
[
8.3754,
-12.1912
],
[
8.8754,
-11.3252
],
[
7.0664,
-9.5081
],
[
7.8754,
-8.9203
],
[
8.6845,
-9.5081
],
[
7.0665,... | [
[
5,
0,
1
],
[
0,
1,
2
],
[
1,
2,
1
],
[
2,
3,
2
],
[
3,
4,
1
],
[
4,
5,
2
],
[
0,
8,
1
],
[
8,
7,
1
],
[
7,
6,
1
],
[
6,
1,
1
],
[
7,
12,
1
]... | [] | null | |
10.1038_s41557-025-01820-0_5_figure_0_mol_2.jpg | [
"Special Bond Format",
"Colored Background on Bonds"
] | [
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"O",
"C",
"C",
"C",
"C",
"C",
"C",
"F",
"C",
"N",
"C",
"O",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
16.093599,
-6.2235
],
[
16.093599,
-7.2235
],
[
15.2276,
-7.7235
],
[
14.3616,
-7.2235
],
[
13.4956,
-7.7235
],
[
13.4956,
-8.7235
],
[
12.7885,
-9.4306
],
[
11.7885,
-9.4306
],
[
13.4956,
-10.1377
],
[
... | [
[
0,
1,
2
],
[
0,
28,
1
],
[
1,
2,
1
],
[
2,
3,
2
],
[
3,
4,
1
],
[
3,
27,
1
],
[
4,
5,
1
],
[
5,
6,
1
],
[
5,
20,
1
],
[
6,
7,
2
],
[
8,
6,
1
... | [] | null | |
10.1038_s41929-024-01234-0_13_figure_0_mol_6.jpg | [
"Contamination Information",
"Blurry or Unclear Image",
"3D Style",
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background, Bold, Colored Text",
"Dashed Bond",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"3D Black-and-White Ima... | [
"[THF]",
"[LFe]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
8.9254,
-4.95
],
[
8.9254,
-5.95
],
[
9.9754,
-6.15
],
[
9.1504,
-7.041
],
[
8.6069,
-7.4652
],
[
8.4135,
-8.4035
],
[
8.7385,
-8.9676
],
[
9.232,
-8.6684
],
[
9.5004,
-7.6051
],
[
10.571,
-6.5414
... | [
[
0,
1,
1
],
[
1,
2,
7
],
[
1,
3,
7
],
[
3,
2,
7
],
[
8,
3,
1
],
[
3,
4,
2
],
[
4,
5,
1
],
[
5,
6,
2
],
[
6,
7,
1
],
[
7,
8,
2
],
[
13,
2,
1
]... | [] | null | |
10.1038_s41929-024-01234-0_2_figure_0_mol_12.jpg | [
"Special Atom/Ion/Functional Group",
"Radical (One Dot)/Lone Pair Electron (Two Dots) Symbol",
"Contamination Information",
"Large Solid Color Areas or Image Background"
] | [
"C",
"N",
"C",
"C",
"N",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null
] | [
1,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
[
8.1304,
-15.0446
],
[
8.9394,
-14.4568
],
[
8.6304,
-13.5057
],
[
7.6304,
-13.5057
],
[
7.3214,
-14.4568
],
[
6.3703,
-14.7659
],
[
9.8904,
-14.7659
]
] | [
[
0,
4,
1
],
[
4,
3,
1
],
[
3,
2,
2
],
[
2,
1,
1
],
[
1,
0,
1
],
[
4,
5,
1
],
[
1,
6,
1
]
] | [] | null | |
10.1038_s41929-024-01234-0_2_figure_0_mol_4.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Additional Information at Screenshot Boundary",
"Large Solid Color Areas or Image Background",
"Radical (One Dot)/Lone Pair Electron (Two Dots) Symbol"
] | [
"C",
"N",
"C",
"C",
"N",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"[iPr]",
"[iPr]",
"[iPr]",
"[iPr]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
7.4709,
-5.9076
],
[
8.2664,
-5.3043
],
[
7.9437,
-4.3625
],
[
6.9439,
-4.3774
],
[
6.6475,
-5.3323
],
[
5.7011,
-5.6507
],
[
9.2243,
-5.5919
],
[
4.9591,
-4.9876
],
[
5.497,
-6.6337
],
[
4.547,
-6.... | [
[
0,
4,
1
],
[
4,
3,
1
],
[
3,
2,
1
],
[
2,
1,
1
],
[
1,
0,
1
],
[
4,
5,
1
],
[
1,
6,
1
],
[
7,
10,
1
],
[
10,
11,
2
],
[
11,
9,
1
],
[
9,
8,
2
... | [] | null | |
10.1038_s41929-024-01234-0_2_figure_0_mol_6.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Additional Information at Screenshot Boundary",
"Large Solid Color Areas or Image Background",
"Radical (One Dot)/Lone Pair Electron (Two Dots) Symbol"
] | [
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"N",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
1,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
6.8886,
-9.8998
],
[
7.8463,
-9.5764
],
[
8.5943,
-10.2771
],
[
9.5519,
-9.9537
],
[
10.309,
-10.6544
],
[
9.7617,
-9.0014
],
[
10.7285,
-8.6779
],
[
11.5403,
-9.2888
],
[
12.3521,
-8.6779
],
[
13.3189,... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
21,
2
],
[
2,
3,
2
],
[
3,
4,
1
],
[
3,
5,
1
],
[
5,
6,
1
],
[
5,
19,
2
],
[
6,
7,
1
],
[
6,
18,
1
],
[
7,
8,
1
... | [] | null | |
10.1038_s41929-024-01234-0_2_figure_0_mol_9.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Additional Information at Screenshot Boundary",
"Large Solid Color Areas or Image Background",
"Radical (One Dot)/Lone Pair Electron (Two Dots) Symbol"
] | [
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"N",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
5.7105,
-5.4793
],
[
7.9003,
-5.4714
],
[
4.4976,
-5.8767
],
[
9.1404,
-5.8767
],
[
6.3023,
-6.2642
],
[
7.3258,
-6.2777
],
[
9.3051,
-6.8502
],
[
4.2805,
-6.8502
],
[
3.3369,
-7.1572
],
[
10.2786,
... | [
[
0,
4,
1
],
[
1,
5,
1
],
[
2,
7,
1
],
[
3,
6,
1
],
[
4,
5,
2
],
[
4,
22,
1
],
[
5,
23,
1
],
[
6,
9,
2
],
[
6,
11,
1
],
[
7,
8,
1
],
[
7,
10,
2
... | [] | null | |
10.1038_s41929-024-01234-0_3_figure_0_mol_0.jpg | [
"Contamination Information",
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Uncertain R Position on Benzene Ring",
"Ionic Bond between Separate Ion and Charged Atom",
"Charge Symbol",
"Built-in Arrows, Dashed/Solid Boxes, Expl... | [
"B",
"[tBu]",
"O",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"C",
"C",
"C",
"C",
"C",
"C",
"Li",
"[R'α]",
"[R'β]",
"[R'γ]",
"[R'δ]",
"[R'ε]"
] | [
-1,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
1,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
12.683,
-8.5352
],
[
13.3535,
-7.4406
],
[
13.5862,
-8.9272
],
[
14.1611,
-9.5683
],
[
15.1951,
-8.9805
],
[
14.7553,
-10.6864
],
[
13.742,
-9.9864
],
[
14.951,
-9.8992
],
[
13.742,
-11.1024
],
[
12.928... | [
[
0,
1,
1
],
[
0,
2,
1
],
[
0,
9,
1
],
[
0,
10,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
5,
1
],
[
3,
6,
1
],
[
6,
7,
1
],
[
6,
8,
1
],
[
6,
9,
1
]... | [] | null | |
10.1038_s41929-024-01234-0_3_figure_0_mol_5.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background, Bold, Colored Text",
"Colored Background on Bonds",
"Additional Information at Screenshot Boundary",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Large Solid Colo... | [
"C",
"[OMe]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
15.7887,
-8.184
],
[
16.7887,
-8.184
],
[
15.2887,
-9.05
],
[
14.2887,
-9.05
],
[
13.7887,
-8.184
],
[
12.7887,
-8.184
],
[
12.2887,
-9.05
],
[
12.7887,
-9.916
],
[
12.2887,
-10.7821
],
[
11.2887,
-... | [
[
0,
1,
1
],
[
0,
2,
2
],
[
0,
16,
1
],
[
2,
3,
1
],
[
3,
4,
2
],
[
4,
5,
1
],
[
4,
15,
1
],
[
5,
6,
1
],
[
5,
14,
2
],
[
6,
7,
1
],
[
6,
11,
2
... | [] | null | |
10.1038_s41929-024-01234-0_4_figure_0_mol_10.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Large Solid Color Areas or Image Background",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"C",
"[OMe]",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"N",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
17.3262,
-9.05
],
[
18.3262,
-9.05
],
[
16.8262,
-8.184
],
[
15.8262,
-8.184
],
[
15.3262,
-9.05
],
[
14.3262,
-9.05
],
[
13.8262,
-8.184
],
[
12.8262,
-8.184
],
[
12.3262,
-9.05
],
[
12.8262,
-9.91... | [
[
0,
1,
1
],
[
0,
2,
1
],
[
0,
12,
2
],
[
2,
3,
2
],
[
3,
4,
1
],
[
4,
5,
1
],
[
4,
11,
2
],
[
5,
6,
2
],
[
5,
10,
1
],
[
6,
7,
1
],
[
7,
8,
2
... | [] | null | |
10.1038_s41929-024-01234-0_4_figure_0_mol_11.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Large Solid Color Areas or Image Background",
"Colored Background, Bold, Colored Text",
"Colored Background on Bonds"
] | [
"C",
"[OMe]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
11.0887,
-9.0092
],
[
12.0887,
-9.0092
],
[
10.5887,
-9.8752
],
[
9.5887,
-9.8752
],
[
9.0887,
-9.0092
],
[
8.0887,
-9.0092
],
[
7.5887,
-9.8752
],
[
6.5887,
-9.8752
],
[
6.0887,
-9.0092
],
[
6.5887,
... | [
[
0,
1,
1
],
[
0,
2,
2
],
[
0,
12,
1
],
[
2,
3,
1
],
[
3,
4,
2
],
[
4,
5,
1
],
[
4,
11,
1
],
[
5,
6,
1
],
[
5,
10,
2
],
[
6,
7,
2
],
[
7,
8,
1
... | [] | null | |
10.1038_s41929-024-01234-0_5_figure_0_mol_3.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Large Solid Color Areas or Image Background",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"C",
"[OMe]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
14.9387,
-9.05
],
[
15.9387,
-9.05
],
[
14.4387,
-9.916
],
[
13.4387,
-9.916
],
[
12.9387,
-9.05
],
[
11.9387,
-9.05
],
[
11.4387,
-8.184
],
[
10.4387,
-8.184
],
[
9.9387,
-9.05
],
[
10.4387,
-9.916... | [
[
0,
1,
1
],
[
0,
2,
2
],
[
0,
12,
1
],
[
2,
3,
1
],
[
3,
4,
2
],
[
4,
5,
1
],
[
4,
11,
1
],
[
5,
6,
2
],
[
5,
10,
1
],
[
6,
7,
1
],
[
7,
8,
2
... | [] | null | |
10.1038_s41929-024-01234-0_7_figure_0_mol_12.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group Format",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Large Solid Color Areas or Image Background",
"Colored Background, Bold, Colored Text",
"Additional Information at Screenshot Boundary"
] | [
"[LmFe]",
"[Ar]",
"[X]",
"[Ar]"
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
[
13.3739,
-9.0682
],
[
14.5989,
-9.0932
],
[
14.1989,
-8.3021
],
[
14.1489,
-9.9592
]
] | [
[
0,
1,
1
],
[
0,
2,
1
],
[
0,
3,
1
]
] | [] | null | |
10.1038_s41929-024-01234-0_7_figure_0_mol_20.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Large Solid Color Areas or Image Background",
"Colored Background, Bold, Colored Text"
] | [
"[Ar]",
"[Ar]"
] | [
null,
null
] | [
null,
null
] | [
null,
null
] | [
null,
null
] | [
null,
null
] | [
[
5,
-11.425
],
[
6.625,
-11.45
]
] | [
[
0,
1,
1
]
] | [] | null | |
10.1038_s41929-024-01234-0_7_figure_0_mol_22.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Colored Background, Bold, Colored Text",
"Large Solid Color Areas or Image Background",
"Valence Symbol"
] | [
"[LmFe]",
"[Ar]"
] | [
null,
null
] | [
null,
null
] | [
1,
null
] | [
null,
null
] | [
null,
null
] | [
[
9.4,
-6.3
],
[
10.4,
-6.3
]
] | [
[
0,
1,
1
]
] | [] | null | |
10.1038_s41929-024-01234-0_7_figure_0_mol_9.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Large Solid Color Areas or Image Background",
"Colored Background, Bold, Colored Text",
"Valence Symbol"
] | [
"[LmFeIII]",
"[Ar]",
"[X]",
"[Ar]"
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
[
7.6504,
-8.45
],
[
8.6504,
-8.45
],
[
8.1504,
-7.584
],
[
8.1504,
-9.316
]
] | [
[
0,
1,
1
],
[
0,
2,
1
],
[
0,
3,
1
]
] | [] | null | |
10.1038_s41929-024-01239-9_5_figure_0_mol_8.jpg | [
"Contamination Information",
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Equal-width Chiral Bond",
"3D Molecule with Bond Crossings or Disconnections",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text",
"Additional Information at Screensh... | [
"O",
"C",
"N",
"[Ph]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"H",
"O"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
8.642,
-6.25
],
[
9.508,
-5.75
],
[
10.374,
-6.25
],
[
9.508,
-4.75
],
[
8.9008,
-7.2159
],
[
10.1152,
-7.2159
],
[
8.6758,
-8.107
],
[
10.3902,
-8.182
],
[
10.9812,
-7.7159
],
[
7.9349,
-7.4747
]... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
3,
1
],
[
0,
4,
1
],
[
2,
5,
1
],
[
4,
6,
1
],
[
6,
5,
1
],
[
5,
7,
15
],
[
7,
4,
15
],
[
5,
8,
1
],
[
4,
9,
1
... | [] | null | |
10.1038_s41929-024-01239-9_6_figure_0_mol_1.jpg | [
"Contamination Information",
"3D Style",
"Special Bond",
"Special Atom/Ion/Functional Group",
"Additional Information at Screenshot Boundary",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Equal-width Chiral Bond",
"3D Black-and-White Image",
"Charge Symbol"
] | [
"C",
"[CO2Me]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"[Ph]",
"O"
] | [
null,
null,
null,
1,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
12.6803,
-8.9848
],
[
13.4874,
-9.7919
],
[
11.7482,
-9.5419
],
[
10.8161,
-9.0098
],
[
9.8161,
-9.0098
],
[
9.2911,
-9.6258
],
[
8.2911,
-9.6258
],
[
7.8161,
-9.0098
],
[
8.2911,
-8.4437
],
[
9.2911,
... | [
[
0,
1,
1
],
[
0,
2,
15
],
[
0,
10,
1
],
[
2,
3,
15
],
[
3,
4,
1
],
[
3,
10,
1
],
[
4,
5,
15
],
[
4,
9,
2
],
[
5,
6,
18
],
[
6,
7,
15
],
[
7,
8,
... | [] | null | |
10.1038_s41929-024-01239-9_7_figure_0_mol_0.jpg | [
"Contamination Information",
"Blurry or Unclear Image",
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text",
"3D Molecule with Bond Crossings or Dis... | [
"[Ph]",
"C",
"O",
"N",
"C",
"[CO2Me]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
13.925,
-7.9328
],
[
12.9629,
-8.402
],
[
12.0514,
-7.9256
],
[
12.9629,
-9.355
],
[
13.5054,
-10.2286
],
[
14.5616,
-10.4957
],
[
13.7665,
-11.1232
],
[
12.3263,
-10.2213
],
[
11.545,
-10.4162
],
[
10.... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
3,
1
],
[
3,
4,
1
],
[
3,
7,
1
],
[
4,
5,
1
],
[
4,
14,
1
],
[
7,
8,
1
],
[
7,
14,
1
],
[
8,
9,
2
],
[
8,
13,
15
... | [] | null | |
10.1038_s41929-024-01239-9_7_figure_0_mol_10.jpg | [
"Special Atom/Ion/Functional Group",
"Radical (One Dot)/Lone Pair Electron (Two Dots) Symbol"
] | [
"C",
"[Ph]",
"N",
"O"
] | [
null,
null,
null,
null
] | [
null,
null,
2,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
[
14.929,
-8.9795
],
[
14.063,
-9.4795
],
[
15.795,
-9.4795
],
[
14.929,
-7.9795
]
] | [
[
0,
1,
1
],
[
0,
2,
1
],
[
0,
3,
2
]
] | [] | null | |
10.1038_s41929-024-01239-9_7_figure_0_mol_5.jpg | [
"Contamination Information",
"Special Bond",
"Additional Information at Screenshot Boundary",
"Equal-width Chiral Bond",
"3D Molecule with Bond Crossings or Disconnections"
] | [
"C",
"C",
"C",
"C",
"[Ph]",
"C",
"[OMe]",
"O"
] | [
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
5.0502,
-10.7751
],
[
6.4752,
-10.8001
],
[
7.0251,
-12.164
],
[
4.666,
-12.1436
],
[
4.1842,
-10.2751
],
[
7.3412,
-10.3001
],
[
8.2072,
-10.8001
],
[
7.3412,
-9.3001
]
] | [
[
0,
1,
1
],
[
0,
2,
15
],
[
2,
1,
15
],
[
0,
3,
1
],
[
3,
1,
1
],
[
0,
4,
1
],
[
1,
5,
1
],
[
5,
6,
1
],
[
5,
7,
2
]
] | [] | null | |
10.1038_s41929-024-01239-9_7_figure_0_mol_9.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group",
"Radical (One Dot)/Lone Pair Electron (Two Dots) Symbol",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics"
] | [
"C",
"[Ph]",
"N",
"O"
] | [
null,
null,
null,
null
] | [
null,
null,
2,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
[
13.8202,
-8.9795
],
[
12.9542,
-9.4795
],
[
14.6862,
-9.4795
],
[
13.8202,
-7.9795
]
] | [
[
0,
1,
1
],
[
0,
2,
1
],
[
0,
3,
2
]
] | [] | null | |
10.1038_s41929-025-01306-9_1_figure_0_mol_4.jpg | [
"3D Style",
"Special Bond",
"Special Bond Format",
"Untokenizable Atom/Ion/Functional Group Present",
"Special Atom/Ion/Functional Group",
"3D Black-and-White Image",
"Uncertain R Position on Benzene Ring",
"Half-dashed Half-solid Double Bond",
"Equal-width Chiral Bond",
"Colored Background on Bon... | [
"C",
"C",
"C",
"C",
"C",
"O",
"C",
"C",
"[X]",
"C",
"C",
"[Rα]",
"C",
"[Rα]",
"C",
"C",
"C",
"[R1α]",
"[R1β]",
"[R1γ]",
"[R1δ]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
4.5449,
-11.4714
],
[
3.4501,
-11.1363
],
[
3.4501,
-10.4663
],
[
4.5449,
-10.1312
],
[
4.8511,
-9.4774
],
[
3.9233,
-8.9626
],
[
6.0016,
-9.4039
],
[
6.5769,
-8.6193
],
[
6.5769,
-7.7286
],
[
7.1057,
... | [
[
0,
1,
1
],
[
0,
16,
2
],
[
1,
2,
2
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
15,
2
],
[
4,
5,
2
],
[
4,
6,
1
],
[
6,
7,
1
],
[
6,
14,
1
],
[
7,
8,
1
... | [] | null | |
10.1038_s41929-025-01306-9_3_figure_0_mol_1.jpg | [
"Special Bond",
"Untokenizable Atom/Ion/Functional Group Present",
"Wavy Bond",
"R-group Atoms Represented by Patterns"
] | [
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"[Rα]",
"[Rβ]",
"[Rγ]",
"C",
"N",
"C",
"C",
"O",
"[Rδ]",
"[Rε]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
3.6844,
-15.4452
],
[
3.6844,
-16.4452
],
[
4.5504,
-16.9452
],
[
5.4164,
-16.4452
],
[
5.4164,
-15.4452
],
[
4.5504,
-14.9452
],
[
4.5504,
-13.9452
],
[
2.8183,
-14.9452
],
[
2.8183,
-16.9452
],
[
4.55... | [
[
5,
0,
1
],
[
0,
1,
2
],
[
1,
2,
1
],
[
2,
3,
2
],
[
4,
5,
2
],
[
4,
3,
1
],
[
5,
6,
1
],
[
0,
7,
1
],
[
1,
8,
1
],
[
2,
9,
1
],
[
4,
10,
1
]... | [] | null | |
10.1038_s41929-025-01306-9_3_figure_0_mol_6.jpg | [
"Contamination Information",
"Additional Information at Screenshot Boundary"
] | [
"[tBu]",
"C",
"C",
"C",
"[tBu]",
"C",
"C",
"C",
"O",
"C",
"C",
"[R]",
"N",
"C",
"O"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
5.1132,
-9.987
],
[
5.9792,
-10.487
],
[
5.9792,
-11.487
],
[
6.8452,
-11.987
],
[
6.8452,
-12.987
],
[
7.7113,
-11.487
],
[
7.7113,
-10.487
],
[
8.5773,
-9.987
],
[
9.4908,
-10.3937
],
[
10.16,
-9.... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
13,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
5,
2
],
[
5,
6,
1
],
[
6,
7,
1
],
[
6,
13,
2
],
[
7,
8,
1
],
[
7,
12,
2
... | [] | null | |
10.1038_s41929-025-01306-9_6_figure_0_mol_10.jpg | [
"Contamination Information",
"Additional Information at Screenshot Boundary"
] | [
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
5.6902,
-4.0246
],
[
4.8266,
-3.525
],
[
5.6902,
-5.0255
],
[
4.8288,
-5.525
],
[
2.234,
-4.05
],
[
2.234,
-5.05
],
[
3.1,
-5.55
],
[
3.966,
-5.05
],
[
3.966,
-4.05
],
[
3.1,
-3.55
],
[
3.05... | [
[
3,
2,
2
],
[
2,
0,
1
],
[
0,
1,
2
],
[
9,
4,
1
],
[
4,
5,
2
],
[
5,
6,
1
],
[
6,
7,
1
],
[
7,
8,
2
],
[
8,
9,
1
],
[
1,
8,
1
],
[
7,
3,
1
],... | [] | null | |
10.1038_s41929-025-01306-9_8_figure_0_mol_5.jpg | [
"Contamination Information",
"Special Molecular Structure",
"Special Bond Format",
"Special Atom/Ion/Functional Group",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Charge Symbol",
"Abbreviation",
"Bonds Too Long",
"Special Atom/Ion/Functional Group Format",
"Colored Backgro... | [
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"N",
"[M]",
"O",
"N",
"[Rα]",
"[L*]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
-1,
1,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
6.3494,
-7.615
],
[
6.3494,
-8.615
],
[
7.2154,
-9.115
],
[
8.0814,
-8.615
],
[
8.0814,
-7.615
],
[
7.2154,
-7.115
],
[
7.2154,
-10.115
],
[
8.0814,
-10.615
],
[
8.9474,
-10.115
],
[
8.9474,
-9.115
... | [
[
5,
0,
2
],
[
0,
1,
1
],
[
1,
2,
2
],
[
2,
3,
1
],
[
3,
4,
2
],
[
4,
5,
1
],
[
2,
6,
1
],
[
6,
7,
2
],
[
7,
8,
1
],
[
8,
9,
2
],
[
9,
3,
1
],... | [] | null | |
10.1038_s41929-025-01306-9_8_figure_0_mol_9.jpg | [
"Contamination Information",
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Ring Filling",
"Dashed Bond",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"With Number... | [
"C",
"C",
"C",
"C",
"C",
"N",
"Co",
"O",
"[Rα]",
"[Rβ]",
"[Rγ]",
"[Rδ]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
10.8773,
-9.3521
],
[
10.4837,
-8.4351
],
[
10.9505,
-7.5528
],
[
11.9281,
-7.3654
],
[
11.8516,
-9.6075
],
[
12.6921,
-8.0187
],
[
12.655,
-9.0169
],
[
12.1843,
-6.3987
],
[
13.608,
-7.6173
],
[
13.621... | [
[
0,
1,
1
],
[
1,
2,
7
],
[
2,
3,
1
],
[
3,
5,
1
],
[
0,
4,
7
],
[
4,
6,
1
],
[
5,
6,
1
],
[
3,
7,
2
],
[
5,
8,
7
],
[
6,
9,
7
],
[
6,
10,
7
]... | [] | null | |
10.1038_s41929-025-01309-6_10_figure_0_mol_9.jpg | [
"Special Atom/Ion/Functional Group Format",
"Colored Background, Bold, Colored Text"
] | [
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
11.4474,
-7.8908
],
[
11.4474,
-8.8908
],
[
12.3135,
-9.3908
],
[
13.1795,
-8.8908
],
[
14.0455,
-9.3908
],
[
14.0455,
-10.3908
],
[
14.9115,
-10.8908
],
[
15.7776,
-10.3908
],
[
15.7776,
-9.3908
],
[
1... | [
[
0,
1,
1
],
[
0,
11,
2
],
[
1,
2,
2
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
10,
2
],
[
4,
5,
2
],
[
4,
9,
1
],
[
5,
6,
1
],
[
6,
7,
2
],
[
7,
8,
1
... | [] | null | |
10.1038_s41929-025-01309-6_1_figure_0_mol_7.jpg | [] | [
"[SiMe3]",
"C",
"[SiMe3]",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
15.371,
-8.925
],
[
14.505,
-8.425
],
[
14.505,
-7.425
],
[
13.639,
-8.925
],
[
12.7729,
-8.425
],
[
11.9069,
-8.925
],
[
11.9069,
-9.925
],
[
12.7729,
-10.425
],
[
13.639,
-9.925
]
] | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
3,
1
],
[
3,
4,
2
],
[
3,
8,
1
],
[
4,
5,
1
],
[
5,
6,
2
],
[
6,
7,
1
],
[
7,
8,
2
]
] | [] | null | |
10.1038_s41929-025-01309-6_1_figure_0_mol_8.jpg | [
"Special Bond Format",
"Untokenizable Atom/Ion/Functional Group Present",
"R-group Atoms Represented by Patterns",
"Colored Background on Bonds"
] | [
"[Rα]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"[SiMe3]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
7.3674,
-7.85
],
[
7.3674,
-8.85
],
[
6.5014,
-9.35
],
[
6.5014,
-10.3501
],
[
7.3674,
-10.8501
],
[
8.2334,
-10.3501
],
[
8.2334,
-9.35
],
[
9.0994,
-8.85
],
[
9.9656,
-9.35
]
] | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
6,
2
],
[
2,
3,
2
],
[
3,
4,
1
],
[
4,
5,
2
],
[
5,
6,
1
],
[
6,
7,
1
],
[
7,
8,
1
]
] | [] | null | |
10.1038_s41929-025-01309-6_3_figure_0_mol_14.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"S",
"N",
"N",
"[SiMe3]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
9.8841,
-4.0628
],
[
9.0581,
-4.6418
],
[
10.3936,
-5.599
],
[
9.3978,
-5.599
],
[
11.9916,
-6.4173
],
[
10.9726,
-6.4405
],
[
10.6792,
-7.3746
],
[
11.4821,
-8.9725
],
[
13.2767,
-8.9475
],
[
10.6098,
... | [
[
0,
1,
2
],
[
0,
14,
1
],
[
1,
3,
1
],
[
2,
3,
2
],
[
2,
5,
1
],
[
2,
14,
1
],
[
4,
5,
1
],
[
4,
15,
2
],
[
5,
6,
2
],
[
6,
16,
1
],
[
7,
9,
1
... | [] | null | |
10.1038_s41929-025-01309-6_3_figure_0_mol_17.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background, Bold, Colored Text",
"Colored Background on Bonds"
] | [
"[Me]",
"C",
"O",
"C",
"C",
"C",
"C",
"[Me]",
"C",
"C",
"C",
"[SiMe3]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
7.1804,
-6.85
],
[
8.0465,
-7.35
],
[
8.9125,
-6.85
],
[
8.0465,
-8.35
],
[
7.1804,
-8.85
],
[
7.1804,
-9.85
],
[
8.0465,
-10.35
],
[
8.0465,
-11.35
],
[
8.9125,
-9.85
],
[
8.9125,
-8.85
],
[
... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
3,
1
],
[
3,
4,
1
],
[
3,
9,
2
],
[
4,
5,
2
],
[
5,
6,
1
],
[
6,
7,
1
],
[
6,
8,
2
],
[
8,
9,
1
],
[
9,
10,
1
]... | [] | null | |
10.1038_s41929-025-01309-6_3_figure_0_mol_21.jpg | [
"Contamination Information",
"Special Bond",
"Special Atom/Ion/Functional Group Format",
"Dashed Bond",
"Additional Information at Screenshot Boundary",
"Colored Background, Bold, Colored Text",
"Special Bond Format",
"Colored Background on Bonds"
] | [
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"H",
"N",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
11.4635,
-6.9592
],
[
11.4635,
-7.9592
],
[
12.3295,
-8.4592
],
[
12.3295,
-9.4592
],
[
11.4635,
-9.9592
],
[
11.4635,
-10.9592
],
[
12.3295,
-11.4592
],
[
13.1955,
-10.9592
],
[
13.1955,
-9.9592
],
[
1... | [
[
0,
1,
7
],
[
0,
12,
7
],
[
1,
2,
7
],
[
2,
3,
1
],
[
2,
10,
2
],
[
3,
4,
1
],
[
3,
8,
2
],
[
4,
5,
2
],
[
5,
6,
1
],
[
6,
7,
2
],
[
7,
8,
1
... | [] | null | |
10.1038_s41929-025-01309-6_3_figure_0_mol_5.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics"
] | [
"C",
"[SiMe3]",
"C",
"C",
"C",
"C",
"C",
"[Me3Si]",
"[SiMe3]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"N"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
14.545,
-9.0842
],
[
15.4111,
-9.5842
],
[
13.679,
-9.5842
],
[
13.679,
-10.5842
],
[
12.813,
-11.0842
],
[
11.947,
-10.5842
],
[
11.0809,
-11.0842
],
[
10.2149,
-10.5842
],
[
11.0809,
-12.0842
],
[
11.... | [
[
0,
1,
1
],
[
0,
2,
1
],
[
2,
3,
1
],
[
2,
10,
2
],
[
3,
4,
2
],
[
4,
5,
1
],
[
5,
6,
1
],
[
5,
9,
2
],
[
6,
7,
1
],
[
6,
8,
1
],
[
9,
10,
1
... | [] | null | |
10.1038_s41929-025-01309-6_3_figure_0_mol_9.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background, Bold, Colored Text",
"Colored Background on Bonds"
] | [
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"[SiMe3]",
"[F3C]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
4.3093,
-0.732
],
[
4.3093,
-1.732
],
[
5.1753,
-2.232
],
[
6.0413,
-1.732
],
[
6.0413,
-0.732
],
[
5.1753,
-0.2319
],
[
4.3343,
-3.782
],
[
4.3343,
-4.782
],
[
5.2003,
-5.282
],
[
6.0663,
-4.782
... | [
[
5,
0,
1
],
[
0,
1,
2
],
[
1,
2,
1
],
[
2,
3,
2
],
[
3,
4,
1
],
[
4,
5,
2
],
[
11,
6,
1
],
[
6,
7,
2
],
[
7,
8,
1
],
[
8,
9,
2
],
[
9,
10,
1
... | [] | null | |
10.1038_s41929-025-01309-6_4_figure_0_mol_10.jpg | [
"Special Bond Format",
"Colored Background on Bonds"
] | [
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"[SiMe3]",
"[SiMe3]",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
14.9195,
-6.55
],
[
15.7856,
-6.05
],
[
16.6516,
-6.55
],
[
16.6516,
-7.55
],
[
15.7856,
-8.05
],
[
15.7856,
-9.05
],
[
14.9195,
-9.55
],
[
14.9195,
-10.55
],
[
15.7856,
-11.05
],
[
16.6516,
-10.55
... | [
[
0,
1,
1
],
[
0,
14,
2
],
[
1,
2,
2
],
[
2,
3,
1
],
[
3,
4,
2
],
[
4,
5,
1
],
[
4,
14,
1
],
[
5,
6,
1
],
[
5,
13,
2
],
[
6,
7,
2
],
[
7,
8,
1
... | [] | null | |
10.1038_s41929-025-01309-6_4_figure_0_mol_11.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"S",
"N",
"N",
"[SiMe3]",
"[SiMe3]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
2.1468,
6.4884
],
[
1.3924,
5.9443
],
[
1.668,
5.0376
],
[
2.6183,
5.0376
],
[
3.1914,
4.2686
],
[
4.1199,
4.2686
],
[
2.8723,
3.3836
],
[
3.6412,
1.882
],
[
2.8287,
1.4105
],
[
4.4609,
1.4105
],
... | [
[
0,
1,
2
],
[
0,
14,
1
],
[
1,
2,
1
],
[
2,
3,
2
],
[
3,
4,
1
],
[
3,
14,
1
],
[
4,
5,
1
],
[
4,
6,
2
],
[
5,
15,
2
],
[
6,
16,
1
],
[
7,
8,
1
... | [] | null | |
10.1038_s41929-025-01309-6_4_figure_0_mol_26.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text"
] | [
"[SiMe3]",
"C",
"[SiMe3]",
"C",
"C",
"C",
"C",
"C",
"N",
"N",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
11.3995,
-10.2109
],
[
10.5335,
-10.7109
],
[
10.5335,
-11.7109
],
[
9.6675,
-10.2109
],
[
8.8014,
-10.7109
],
[
7.9354,
-10.2109
],
[
7.9354,
-9.2109
],
[
8.8014,
-8.7109
],
[
8.8014,
-7.7109
],
[
9.61... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
3,
1
],
[
3,
4,
2
],
[
3,
13,
1
],
[
4,
5,
1
],
[
5,
6,
2
],
[
6,
7,
1
],
[
7,
8,
1
],
[
7,
13,
2
],
[
8,
9,
1
... | [] | null | |
10.1038_s41929-025-01309-6_6_figure_0_mol_10.jpg | [
"Contamination Information",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Large Solid Color Areas or Image Background",
"Special Atom/Ion/Functional Group Format",
"Colored Background, Bold, Colored Text",
"Additional Information at Screenshot Boundary"
] | [
"C",
"[SiMe3]",
"[SiMe3]",
"C",
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
15.7856,
-11.05
],
[
16.6516,
-10.55
],
[
15.7856,
-12.05
],
[
14.9195,
-10.55
],
[
14.9195,
-9.55
],
[
14.0535,
-9.05
],
[
14.0535,
-8.05
],
[
14.9195,
-7.55
],
[
14.9195,
-6.55
],
[
14.0535,
-6.05... | [
[
0,
1,
1
],
[
0,
2,
1
],
[
0,
3,
1
],
[
3,
4,
1
],
[
4,
5,
2
],
[
5,
6,
1
],
[
5,
12,
1
],
[
6,
7,
2
],
[
6,
11,
1
],
[
7,
8,
1
],
[
8,
9,
2
... | [] | null | |
10.1038_s41929-025-01309-6_6_figure_0_mol_3.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics"
] | [
"[Me]",
"N",
"[Me]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"C",
"C",
"C",
"O"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
14.7728,
-14.3903
],
[
15.6412,
-14.892
],
[
15.651,
-15.8844
],
[
16.49,
-14.3851
],
[
16.459299,
-13.3961
],
[
15.5814,
-12.9311
],
[
15.5501,
-11.9587
],
[
16.417299,
-11.4284
],
[
16.396099,
-10.4253
],
... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
3,
1
],
[
3,
4,
1
],
[
3,
25,
2
],
[
4,
5,
1
],
[
5,
6,
1
],
[
6,
7,
1
],
[
6,
13,
1
],
[
7,
8,
1
],
[
7,
12,
2
... | [] | null | |
10.1038_s41929-025-01309-6_7_figure_0_mol_13.jpg | [
"Contamination Information",
"3D Style",
"Special Bond",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"3D Black-and-White Image",
"Equal-width Chiral Bond",
"Colored Background, Bold, C... | [
"[NCMe]",
"[Ru]",
"[NCMe]",
"[NCMe]",
"[NCMe]",
"N",
"C",
"C",
"C",
"C",
"[Me]",
"C",
"C",
"C",
"F",
"C",
"C",
"C",
"F",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
12.0928,
-10.3734
],
[
12.0928,
-8.8636
],
[
13.7632,
-7.8875
],
[
12.0928,
-7.1403
],
[
13.9382,
-9.2296
],
[
11.0565,
-9.8015
],
[
10.1208,
-9.8015
],
[
9.4712,
-10.2744
],
[
9.8888,
-10.7242
],
[
10.... | [
[
0,
1,
1
],
[
1,
2,
6
],
[
1,
3,
1
],
[
1,
4,
5
],
[
1,
19,
6
],
[
5,
6,
2
],
[
5,
11,
1
],
[
6,
7,
1
],
[
6,
12,
1
],
[
7,
8,
2
],
[
8,
9,
15
... | [] | null | |
10.1038_s41929-025-01309-6_8_figure_0_mol_3.jpg | [
"Contamination Information",
"3D Style",
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"3D Black-and-White Ima... | [
"[Me]",
"C",
"C",
"[Me]",
"C",
"F",
"C",
"C",
"N",
"[Ru]",
"Br",
"N",
"C",
"C",
"[Me]",
"C",
"[Me]",
"C",
"C",
"C",
"C",
"C",
"F",
"C",
"[Me]",
"C",
"[Me]",
"C",
"F",
"C",
"C",
"[SiMe3]",
"C",
"F",
"[L]",
"C",
"C",
"C",
"C",
"[Me]",
"[M... | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null... | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null... | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null... | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null... | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null... | [
[
7.6736,
-5.8867
],
[
8.5646,
-6.3782
],
[
8.7848,
-7.1153
],
[
8.054,
-7.3422
],
[
9.6758,
-7.5973
],
[
9.856,
-8.3439
],
[
10.3065,
-7.3705
],
[
11.0974,
-7.8525
],
[
11.0974,
-8.8354
],
[
9.4055,
... | [
[
0,
1,
1
],
[
1,
2,
18
],
[
1,
32,
1
],
[
2,
3,
1
],
[
2,
4,
15
],
[
4,
5,
1
],
[
4,
6,
18
],
[
6,
7,
1
],
[
6,
29,
1
],
[
7,
8,
2
],
[
9,
10,
... | [] | null | |
10.1038_s41929-025-01309-6_9_figure_0_mol_0.jpg | [
"Contamination Information",
"Special Bond",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Equal-width Chiral Bond",
"Valence Symbol",
"Additional Information at Screenshot Boundary",
"Colored Background, Bold, Colored Text",
"3D Style",
"Special Bond Format",
... | [
"[Me]",
"C",
"C",
"N",
"C",
"C",
"C",
"F",
"C",
"C",
"C",
"F",
"C",
"[Ru]",
"[NCMe]",
"[NCMe]",
"N",
"C",
"C",
"[Me]",
"C",
"C",
"C",
"C",
"C",
"F",
"C",
"C",
"C",
"F",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
17.317301,
-9.5405
],
[
16.5317,
-9.0909
],
[
15.7362,
-9.5405
],
[
14.9407,
-9.0909
],
[
14.9407,
-8.1917
],
[
14.1451,
-7.7325
],
[
14.1451,
-6.8332
],
[
14.9407,
-6.3741
],
[
13.3497,
-6.3741
],
[
12... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
32,
1
],
[
2,
3,
1
],
[
3,
4,
2
],
[
4,
5,
1
],
[
4,
31,
1
],
[
5,
6,
2
],
[
5,
12,
1
],
[
6,
7,
1
],
[
6,
8,
1
... | [] | null | |
10.1038_s41929-025-01309-6_9_figure_0_mol_1.jpg | [
"3D Style",
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"3D Black-and-White Image",
"Equal-width Chiral Bond",
"Bonds Too Long",
"Colored Background, Bold, Colored Text",
"Special Atom/Ion/Functional Group",
"Valence Symbol"
] | [
"[Me]",
"C",
"C",
"C",
"C",
"N",
"C",
"[Ru]",
"[NCMe]",
"[NCMe]",
"C",
"C",
"F",
"C",
"C",
"C",
"F",
"C",
"C",
"C",
"F",
"C",
"C",
"C",
"F",
"C",
"C",
"N",
"C",
"C",
"[Me]",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
7.7006,
-12.2302
],
[
7.3453,
-11.7429
],
[
6.4138,
-11.7429
],
[
6.0585,
-11.1994
],
[
6.6443,
-10.6839
],
[
7.5854,
-10.6839
],
[
7.9407,
-11.1994
],
[
8.7474,
-9.6062
],
[
8.7474,
-11.3306
],
[
10.86... | [
[
0,
1,
1
],
[
1,
2,
15
],
[
1,
6,
18
],
[
2,
3,
2
],
[
3,
4,
1
],
[
4,
5,
2
],
[
4,
17,
1
],
[
5,
6,
1
],
[
7,
8,
1
],
[
7,
9,
5
],
[
7,
10,
6
... | [] | null | |
10.1038_s41929-025-01309-6_9_figure_0_mol_3.jpg | [
"Contamination Information",
"3D Style",
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Equal-width Chiral Bond",
"3D Black-and-White Image",
"Colored Background, Bold, Colored Text",
"Bonds Too Long",
"Built-i... | [
"[NCMe]",
"[Ru]",
"[NCMe]",
"[NCMe]",
"N",
"C",
"C",
"C",
"C",
"[Me]",
"C",
"C",
"C",
"F",
"C",
"C",
"C",
"F",
"C",
"[NCMe]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
8.8627,
-6.5114
],
[
8.8627,
-8.8899
],
[
10.5503,
-9.3007
],
[
8.8627,
-10.6569
],
[
7.7556,
-10.0457
],
[
6.8626,
-10.0265
],
[
6.2913,
-10.552
],
[
6.6396,
-11.106
],
[
7.5324,
-11.106
],
[
7.8091,
... | [
[
0,
1,
1
],
[
1,
2,
5
],
[
1,
3,
1
],
[
1,
18,
6
],
[
1,
19,
6
],
[
4,
5,
2
],
[
4,
10,
1
],
[
5,
6,
1
],
[
5,
11,
1
],
[
6,
7,
2
],
[
7,
8,
15... | [] | null | |
10.1038_s41929-025-01309-6_9_figure_0_mol_4.jpg | [
"Contamination Information",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Colored Background, Bold, Colored Text"
] | [
"[Me]",
"C",
"C",
"N",
"C",
"C",
"C",
"C",
"F",
"C",
"C",
"C",
"[SiMe3]",
"[Me3Si]",
"C",
"F",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
15.4597,
-11.175
],
[
14.5936,
-10.675
],
[
13.7276,
-11.175
],
[
12.8616,
-10.675
],
[
12.8616,
-9.675
],
[
11.9955,
-9.175
],
[
11.1295,
-9.675
],
[
10.2635,
-9.175
],
[
9.3975,
-9.675
],
[
10.2635,
... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
17,
1
],
[
2,
3,
1
],
[
3,
4,
2
],
[
4,
5,
1
],
[
4,
16,
1
],
[
5,
6,
1
],
[
5,
14,
2
],
[
6,
7,
2
],
[
7,
8,
1
... | [] | null | |
10.1038_s41929-025-01325-6_1_figure_0_mol_0.jpg | [
"Contamination Information",
"Additional Information at Screenshot Boundary",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Large Solid Color Areas or Image Background"
] | [
"O",
"C",
"C",
"C",
"C",
"C",
"C",
"N",
"O",
"N"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
8.525,
-2.95
],
[
8.025,
-3.816
],
[
8.525,
-4.6821
],
[
8.025,
-5.5481
],
[
8.525,
-6.4141
],
[
8.025,
-7.2801
],
[
8.525,
-8.1462
],
[
8.025,
-9.0122
],
[
7.025,
-3.816
],
[
9.525,
-4.6821
]
] | [
[
0,
1,
1
],
[
1,
2,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
4,
5,
1
],
[
5,
6,
1
],
[
6,
7,
1
],
[
1,
8,
2
],
[
2,
9,
1
]
] | [] | null | |
10.1038_s41929-025-01325-6_5_figure_0_mol_0.jpg | [
"Contamination Information",
"Special Bond Format",
"Additional Information at Screenshot Boundary",
"Colored Background on Bonds"
] | [
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"C",
"[S-CoA]",
"O",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
9.3496,
-9.675
],
[
10.2156,
-10.175
],
[
11.0816,
-9.675
],
[
11.0816,
-8.675
],
[
10.2156,
-8.175
],
[
9.3496,
-8.675
],
[
10.2156,
-7.175
],
[
11.9476,
-8.175
],
[
12.8137,
-8.675
],
[
11.9476,
-... | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
10,
1
],
[
2,
3,
1
],
[
3,
4,
1
],
[
3,
7,
1
],
[
4,
5,
1
],
[
4,
6,
2
],
[
7,
8,
1
],
[
7,
9,
2
]
] | [] | null | |
10.1038_s41929-025-01325-6_5_figure_0_mol_5.jpg | [
"Contamination Information",
"Special Bond Format",
"Colored Background on Bonds",
"Additional Information at Screenshot Boundary"
] | [
"C",
"C",
"C",
"O",
"N",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
12.3897,
-8.3887
],
[
13.2557,
-8.8887
],
[
14.1217,
-8.3887
],
[
14.1217,
-7.3887
],
[
14.9878,
-8.8887
],
[
14.9878,
-9.8887
],
[
14.1217,
-10.3887
],
[
13.2557,
-9.8887
]
] | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
7,
1
],
[
2,
3,
2
],
[
2,
4,
1
],
[
4,
5,
1
],
[
5,
6,
1
],
[
6,
7,
1
]
] | [] | null | |
10.1038_s41929-025-01325-6_5_figure_0_mol_6.jpg | [] | [
"C",
"C",
"C",
"O",
"N",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null
] | [
[
8.0598,
-10.5892
],
[
8.0598,
-9.5892
],
[
8.9258,
-9.0892
],
[
8.9258,
-8.0892
],
[
9.7918,
-9.5892
],
[
9.7918,
-10.5892
],
[
8.9258,
-11.0892
]
] | [
[
0,
1,
1
],
[
0,
6,
1
],
[
1,
2,
1
],
[
2,
3,
2
],
[
2,
4,
1
],
[
4,
5,
1
],
[
5,
6,
1
]
] | [] | null | |
10.1038_s41929-025-01352-3_1_figure_0_mol_12.jpg | [
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Bonds Too Short",
"Colored Background, Bold, Colored Text"
] | [
"[X]",
"Ge",
"[X]",
"[X]",
"[X]"
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null
] | [
[
6.6169,
-8.3929
],
[
7.3241,
-9.0971
],
[
8.0311,
-8.3929
],
[
6.6169,
-9.8071
],
[
8.0311,
-9.8071
]
] | [
[
0,
1,
1
],
[
1,
2,
1
],
[
1,
3,
1
],
[
1,
4,
1
]
] | [] | null | |
10.1038_s41929-025-01352-3_4_figure_0_mol_23.jpg | [
"Contamination Information",
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Colored Background, Bold, Colored Text",
"Colored Background on Bonds",
"Equal-width Chiral Bond",
"Blurry or Unclear Image",
"Built-in ... | [
"[Me]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"[Me]",
"N",
"C",
"[R3]",
"C",
"C",
"C",
"[NPh2]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
16.1525,
-7.494
],
[
16.1306,
-8.2373
],
[
15.2202,
-8.597
],
[
14.2332,
-8.3691
],
[
13.5533,
-8.9926
],
[
14.1565,
-9.6159
],
[
15.1545,
-9.3882
],
[
16.064699,
-9.7479
],
[
16.049,
-10.5031
],
[
16.9... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
10,
1
],
[
2,
3,
1
],
[
2,
6,
1
],
[
4,
12,
1
],
[
4,
20,
1
],
[
5,
6,
1
],
[
6,
7,
2
],
[
7,
8,
1
],
[
7,
9,
15
... | [] | null | |
10.1038_s41929-025-01352-3_4_figure_0_mol_24.jpg | [
"Special Bond",
"Special Bond Format",
"Untokenizable Atom/Ion/Functional Group Present",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Equal-width Chiral Bond",
"Colored Background, Bold, Colored Text",
"R-group Atoms Represented by... | [
"[R1]",
"C",
"C",
"[b]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"[a]",
"[Rα]",
"C",
"C",
"C",
"[R2]",
"N",
"C",
"C",
"[R2]",
"C",
"C",
"[R3]"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
7.4062,
-12.3739
],
[
7.2498,
-11.3862
],
[
8.0269,
-10.7569
],
[
7.8705,
-9.7692
],
[
6.9369,
-9.4108
],
[
6.1598,
-10.0401
],
[
6.3162,
-11.0278
],
[
6.9143,
-8.4122
],
[
6.2072,
-7.7051
],
[
6.466,
... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
6,
1
],
[
2,
3,
1
],
[
3,
4,
2
],
[
3,
13,
1
],
[
4,
5,
1
],
[
4,
7,
1
],
[
5,
6,
2
],
[
7,
8,
1
],
[
7,
12,
2
... | [] | null | |
10.1038_s41929-025-01352-3_4_figure_0_mol_3.jpg | [
"Special Bond",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Colored Background on Bonds",
"Colored Background, Bold, Colored Text",
"Equal-width Chiral Bond",
"3D Style",
"3D Black-and-White Image"
] | [
"H",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"H",
"N",
"C",
"[Ph]",
"C",
"C",
"C",
"[Ph]",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null,
null
] | [
[
16.209299,
-7.6375
],
[
16.1593,
-8.3471
],
[
15.2135,
-8.7199
],
[
14.2008,
-8.4896
],
[
13.5442,
-9.0817
],
[
14.1452,
-9.6957
],
[
15.1689,
-9.4654
],
[
16.0814,
-9.8382
],
[
16.048,
-10.5947
],
[
16... | [
[
0,
1,
1
],
[
1,
2,
2
],
[
1,
10,
1
],
[
2,
3,
1
],
[
2,
6,
1
],
[
4,
12,
1
],
[
4,
24,
1
],
[
5,
6,
1
],
[
6,
7,
2
],
[
7,
8,
1
],
[
7,
9,
15
... | [] | null | |
10.1038_s41929-025-01357-y_10_figure_0_mol_10.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics",
"Colored Background on Bonds",
"Colored Background, B... | [
"[EWG]",
"C",
"C",
"C",
"O",
"[Ph]"
] | [
null,
null,
null,
null,
null,
null
] | [
null,
2,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
null,
null,
null,
null,
null,
null
] | [
[
16.124901,
-8.675
],
[
15.2589,
-8.175
],
[
14.3929,
-8.675
],
[
13.5268,
-8.175
],
[
13.5268,
-7.175
],
[
12.6608,
-8.675
]
] | [
[
0,
1,
1
],
[
1,
2,
1
],
[
2,
3,
1
],
[
3,
4,
2
],
[
3,
5,
1
]
] | [] | null | |
10.1038_s41929-025-01357-y_10_figure_0_mol_15.jpg | [
"Contamination Information",
"Special Bond Format",
"Special Atom/Ion/Functional Group Format",
"Additional Information at Screenshot Boundary",
"Colored Background, Bold, Colored Text",
"Colored Background on Bonds"
] | [
"O",
"C",
"Cl",
"[Ph]"
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
null,
null,
null,
null
] | [
[
8.8898,
-8.35
],
[
8.8898,
-9.35
],
[
8.0238,
-9.85
],
[
9.7559,
-9.85
]
] | [
[
0,
1,
2
],
[
1,
2,
1
],
[
1,
3,
1
]
] | [] | null |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.