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[H:23][c:11]1[c:10]([c:14]([c:13]([c:12]([c:15]1[C:16]([H:25])([H:26])[H:27])[H:24])[Br:1])[O:4][C:17]([H:28])([H:29])[C:18]([H:30])([H:31])[S:5][c:6]2[n:2][c:7]([c:9]([c:8]([n:3]2)[H:20])[H:21])[H:19])[H:22] | [
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[H:23][c:11]1[c:10]([c:14]([c:13]([c:12]([c:15]1[C:16]([H:25])([H:26])[H:27])[H:24])[Br:1])[O:4][C:17]([H:28])([H:29])[C:18]([H:30])([H:31])[S:5][c:6]2[n:2][c:7]([c:9]([c:8]([n:3]2)[H:20])[H:21])[H:19])[H:22] | [
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[H:23][c:11]1[c:10]([c:14]([c:13]([c:12]([c:15]1[C:16]([H:25])([H:26])[H:27])[H:24])[Br:1])[O:4][C:17]([H:28])([H:29])[C:18]([H:30])([H:31])[S:5][c:6]2[n:2][c:7]([c:9]([c:8]([n:3]2)[H:20])[H:21])[H:19])[H:22] | [
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[H:23][c:11]1[c:10]([c:14]([c:13]([c:12]([c:15]1[C:16]([H:25])([H:26])[H:27])[H:24])[Br:1])[O:4][C:17]([H:28])([H:29])[C:18]([H:30])([H:31])[S:5][c:6]2[n:2][c:7]([c:9]([c:8]([n:3]2)[H:20])[H:21])[H:19])[H:22] | [
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[H:23][c:11]1[c:10]([c:14]([c:13]([c:12]([c:15]1[C:16]([H:25])([H:26])[H:27])[H:24])[Br:1])[O:4][C:17]([H:28])([H:29])[C:18]([H:30])([H:31])[S:5][c:6]2[n:2][c:7]([c:9]([c:8]([n:3]2)[H:20])[H:21])[H:19])[H:22] | [
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[H:3][C:2]#[N:1].[H:7][C:5]([H:8])([H:9])[S:4][C:6]([H:10])([H:11])[H:12] | [
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[H:11][C:9]([H:12])([H:13])[C:8](=[O:6])[O:7][H:10].[H:3][C:2]([H:4])([H:5])[Br:1] | [
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[H:3][C:2]#[N:1].[H:8][C:5]([H:9])([H:10])[C:6]([H:11])([H:12])[S:4][H:7] | [
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[H:3][C:2]#[N:1].[H:8][C:5]([H:9])([H:10])[C:6]([H:11])([H:12])[S:4][H:7] | [
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4.667317867279053,
-4.3264632... |
[H:3][C:2]#[N:1].[H:7][C:5]([H:8])([H:9])[S:4][C:6]([H:10])([H:11])[H:12] | [
2.4111690521240234,
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0.36711... | [
-358545.03125
] | [
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10.95953369140625,
-5.2845... |
[H:3][C:2]#[N:1].[H:8][C:5]([H:9])([H:10])[C:6]([H:11])([H:12])[S:4][H:7] | [
5.787367820739746,
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0.708739995956... | [
-358565.25
] | [
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-2.037... |
[H:3][C:2]#[N:1].[H:7][C:5]([H:8])([H:9])[S:4][C:6]([H:10])([H:11])[H:12] | [
2.625818967819214,
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0.058240000158548355,
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3.4735190868377686,
0.... | [
-358567.78125
] | [
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-5.133... |
[H:3][C:2]#[N:1].[H:8][C:5]([H:9])([H:10])[C:6]([H:11])([H:12])[S:4][H:7] | [
4.556818008422852,
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0.7087399959564... | [
-358566.5625
] | [
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[H:11][C:9]([H:12])([H:13])[C:8](=[O:6])[O:7][H:10].[H:3][C:2]([H:4])([H:5])[Br:1] | [
-1.344609022140503,
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... | [
-1784014.125
] | [
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7.0285... |
[H:11][C:9]([H:12])([H:13])[C:8](=[O:6])[O:7][H:10].[H:3][C:2]([H:4])([H:5])[Br:1] | [
-2.257049083709717,
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-1.9105689525604248... | [
-1784018.25
] | [
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-7.968273639678955,
3.24214506149292,
-5.813779354095459,
9.40815258026123,
8.9471683502... |
[H:11][C:9]([H:12])([H:13])[C:8](=[O:6])[O:7][H:10].[H:3][C:2]([H:4])([H:5])[Br:1] | [
-1.2989799976348877,
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1.1680790185928345,
0.8076800107955933,
-0.2297399938106537,
0.6176199913024902,
-0.7971299886703491,
... | [
-1784009.125
] | [
-14.405414581298828,
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-14.355493545532227,
-10.825758934020996,
4.2815775871276855,
-10.787830352783203,
8.4741792678833,
6.572... |
[H:3][C:2]#[N:1].[H:7][C:5]([H:8])([H:9])[S:4][C:6]([H:10])([H:11])[H:12] | [
2.748469114303589,
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1.9819689989089966,
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0.3388899862766266,
2.828758955001831,
0.8321300148963928,
1.9543689489364624,
3.4735190868377686,
... | [
-358567.59375
] | [
-40.9196662902832,
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10.561700820922852,
5.2208709716796875,
-4.94834... |
[H:3][C:2]#[N:1].[H:8][C:5]([H:9])([H:10])[C:6]([H:11])([H:12])[S:4][H:7] | [
3.5313589572906494,
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4.11395788192749,
1.1285799741744995,
-1.1243400573730469,
2.9036691188812256,
0.708739995... | [
-358567.40625
] | [
-22.286500930786133,
44.921478271484375,
-33.958438873291016,
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-10.190011978149414,
-3.518035650253296,
1.9224482774734497,
-2.8672... |
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