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[H:23][C:3]#[C:4][c:12]1[c:8]([c:10]([c:13]([c:11]([c:9]1[H:25])[H:27])[C:14]23[O:7][C@:20]([C:22]([C:18]([O:5]2)([H:37])[H:38])([C:19]([O:6]3)([H:39])[H:40])[C:21]([C:15]([H:28])([H:29])[H:30])([C:16]([H:31])([H:32])[H:33])[C:17]([H:34])([H:35])[H:36])([H:41])[C:2]#[N:1])[H:26])[H:24] | [
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[H:33][c:14]1[c:15]([c:17]([c:19]([c:18]([c:16]1[H:35])[H:37])[C:13]2=[C:12]([S:9][C:11](=[N:4]2)[C@:27]3([C@:28]([C@:25]([C@@:26]([O:6]3)([H:48])[C:23]([H:44])([H:45])[O:8][S:29](=[O:2])(=[O:3])[N:21]([H:40])[C:10](=[O:1])[C@:24]([H:46])([C:22]([H:41])([H:42])[H:43])[N:20]([H:38])[H:39])([H:47])[O:5][H:30])([H:50])[O:... | [
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[H:23][C:3]#[C:4][c:12]1[c:8]([c:10]([c:13]([c:11]([c:9]1[H:25])[H:27])[C:14]23[O:7][C@:20]([C:22]([C:18]([O:5]2)([H:37])[H:38])([C:19]([O:6]3)([H:39])[H:40])[C:21]([C:15]([H:28])([H:29])[H:30])([C:16]([H:31])([H:32])[H:33])[C:17]([H:34])([H:35])[H:36])([H:41])[C:2]#[N:1])[H:26])[H:24] | [
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[H:23][C:3]#[C:4][c:12]1[c:8]([c:10]([c:13]([c:11]([c:9]1[H:25])[H:27])[C:14]23[O:7][C@:20]([C:22]([C:18]([O:5]2)([H:37])[H:38])([C:19]([O:6]3)([H:39])[H:40])[C:21]([C:15]([H:28])([H:29])[H:30])([C:16]([H:31])([H:32])[H:33])[C:17]([H:34])([H:35])[H:36])([H:41])[C:2]#[N:1])[H:26])[H:24] | [
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[H:23][C:3]#[C:4][c:12]1[c:8]([c:10]([c:13]([c:11]([c:9]1[H:25])[H:27])[C:14]23[O:7][C@:20]([C:22]([C:18]([O:5]2)([H:37])[H:38])([C:19]([O:6]3)([H:39])[H:40])[C:21]([C:15]([H:28])([H:29])[H:30])([C:16]([H:31])([H:32])[H:33])[C:17]([H:34])([H:35])[H:36])([H:41])[C:2]#[N:1])[H:26])[H:24] | [
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[H:23][C:3]#[C:4][c:12]1[c:8]([c:10]([c:13]([c:11]([c:9]1[H:25])[H:27])[C:14]23[O:7][C@:20]([C:22]([C:18]([O:5]2)([H:37])[H:38])([C:19]([O:6]3)([H:39])[H:40])[C:21]([C:15]([H:28])([H:29])[H:30])([C:16]([H:31])([H:32])[H:33])[C:17]([H:34])([H:35])[H:36])([H:41])[C:2]#[N:1])[H:26])[H:24] | [
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[H:23][C:3]#[C:4][c:12]1[c:8]([c:10]([c:13]([c:11]([c:9]1[H:25])[H:27])[C:14]23[O:7][C@:20]([C:22]([C:18]([O:5]2)([H:37])[H:38])([C:19]([O:6]3)([H:39])[H:40])[C:21]([C:15]([H:28])([H:29])[H:30])([C:16]([H:31])([H:32])[H:33])[C:17]([H:34])([H:35])[H:36])([H:41])[C:2]#[N:1])[H:26])[H:24] | [
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[H:24][c:6]1[c:8]([c:12]([c:16]([c:13]([c:9]1[H:27])[H:31])[C:5](=[N+:18]([C:21]([H:39])([H:40])[C@:22]([H:41])([C:4](=[O:1])[O:3][C:19]([H:34])([H:35])[H:36])[C:20]([H:37])([H:38])[c:17]2[c:14]([c:10]([c:7]([c:11]([c:15]2[H:33])[H:29])[H:25])[H:28])[H:32])[O-:2])[H:23])[H:30])[H:26] | [
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[H:23][C:3]#[C:4][c:12]1[c:8]([c:10]([c:13]([c:11]([c:9]1[H:25])[H:27])[C:14]23[O:7][C@:20]([C:22]([C:18]([O:5]2)([H:37])[H:38])([C:19]([O:6]3)([H:39])[H:40])[C:21]([C:15]([H:28])([H:29])[H:30])([C:16]([H:31])([H:32])[H:33])[C:17]([H:34])([H:35])[H:36])([H:41])[C:2]#[N:1])[H:26])[H:24] | [
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[H:23][C:3]#[C:4][c:12]1[c:8]([c:10]([c:13]([c:11]([c:9]1[H:25])[H:27])[C:14]23[O:7][C@:20]([C:22]([C:18]([O:5]2)([H:37])[H:38])([C:19]([O:6]3)([H:39])[H:40])[C:21]([C:15]([H:28])([H:29])[H:30])([C:16]([H:31])([H:32])[H:33])[C:17]([H:34])([H:35])[H:36])([H:41])[C:2]#[N:1])[H:26])[H:24] | [
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[H:23][c:8]1[c:9]([c:11]([c:13]([c:12]([c:10]1[H:25])[H:27])[N:14]2[C:5](=[O:2])[C:7]3=[C:6]([C:15]([C:22]4([C:16]3([H:30])[H:31])[C:20]([C:18]([C:17]([C:19]([C:21]4([H:40])[H:41])([H:36])[H:37])([H:32])[H:33])([H:34])[H:35])([H:38])[H:39])([H:28])[H:29])[O:3][C:4]2=[O:1])[H:26])[H:24] | [
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[H:23][C:3]#[C:4][c:12]1[c:8]([c:10]([c:13]([c:11]([c:9]1[H:25])[H:27])[C:14]23[O:7][C@:20]([C:22]([C:18]([O:5]2)([H:37])[H:38])([C:19]([O:6]3)([H:39])[H:40])[C:21]([C:15]([H:28])([H:29])[H:30])([C:16]([H:31])([H:32])[H:33])[C:17]([H:34])([H:35])[H:36])([H:41])[C:2]#[N:1])[H:26])[H:24] | [
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-613445.5
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28.7117977142334,
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[H:24][c:6]1[c:8]([c:12]([c:16]([c:13]([c:9]1[H:27])[H:31])[C:5](=[N+:18]([C:21]([H:39])([H:40])[C@@:22]([H:41])([C:4](=[O:1])[O:3][C:19]([H:34])([H:35])[H:36])[C:20]([H:37])([H:38])[c:17]2[c:14]([c:10]([c:7]([c:11]([c:15]2[H:33])[H:29])[H:25])[H:28])[H:32])[O-:2])[H:23])[H:30])[H:26] | [
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1.3928380012512207,
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... | [
-613517.4375
] | [
14.790946006774902,
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39.59795379638672,
5.793402194976807,
18.865665435791016,
13.375225067138672,
22.061092... |
[H:23][c:8]1[c:9]([c:11]([c:13]([c:12]([c:10]1[H:25])[H:27])[N:14]2[C:5](=[O:2])[C:7]3=[C:6]([C:15]([C:22]4([C:16]3([H:30])[H:31])[C:20]([C:18]([C:17]([C:19]([C:21]4([H:40])[H:41])([H:36])[H:37])([H:32])[H:33])([H:34])[H:35])([H:38])[H:39])([H:28])[H:29])[O:3][C:4]2=[O:1])[H:26])[H:24] | [
0.33297601342201233,
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0.3468779921531677,
1.67... | [
-613539.375
] | [
41.06328201293945,
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1.825073480606079,
-0.8696609735488... |
[H:23][c:8]1[c:9]([c:11]([c:13]([c:12]([c:10]1[H:25])[H:27])[N:14]2[C:5](=[O:2])[C:7]3=[C:6]([C:15]([C:22]4([C:16]3([H:30])[H:31])[C:20]([C:18]([C:17]([C:19]([C:21]4([H:40])[H:41])([H:36])[H:37])([H:32])[H:33])([H:34])[H:35])([H:38])[H:39])([H:28])[H:29])[O:3][C:4]2=[O:1])[H:26])[H:24] | [
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1.9234520196914673,
2.025270938873291,
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0.852... | [
-613578.5
] | [
50.80842590332031,
2.3081212043762207,
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10.951578140258789,
85.9103775024414,
33.228816986083984,
-51.349395751953125,
-24.5049... |
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