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[H:39][c:16]1[c:15]([c:20]([c:25]2[c:26]([c:21]1[H:44])[C:14](=[C:13]([S:9]2)[H:37])[S:35](=[O:3])(=[O:4])[N:29]([H:47])[C:12]3=[N:6][c:23]4[c:18]([c:17]([c:22]([c:19]([c:24]4[S:8]3)[H:42])[Cl:5])[H:40])[H:41])[H:43])[H:38].[H:57][C@@:33]([C:11](=[O:2])[N:27]([H:45])[C:31]([H:51])([H:52])[H:53])([C@@:34]([H:58])([C:32]... | [
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[H:21][C:10]1=[C:11]([N:12]([C:9](=[N:6]1)[H:20])[H:22])[C:16]([F:3])([F:4])[F:5].[H:34][C@@:19]([C:8](=[O:2])[N:13]([H:23])[C:17]([H:28])([H:29])[H:30])([C:18]([H:31])([H:32])[H:33])[N:14]([H:24])[C:7](=[O:1])[C:15]([H:25])([H:26])[H:27] | [
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[H:39][c:16]1[c:15]([c:20]([c:25]2[c:26]([c:21]1[H:44])[C:13](=[C:14]([S:9]2)[S:35](=[O:3])(=[O:4])[N:29]([H:47])[C:12]3=[N:6][c:23]4[c:18]([c:17]([c:22]([c:19]([c:24]4[S:8]3)[H:42])[Cl:5])[H:40])[H:41])[H:37])[H:43])[H:38].[H:57][C@@:33]([C:11](=[O:2])[N:27]([H:45])[C:31]([H:51])([H:52])[H:53])([C@@:34]([H:58])([C:32]... | [
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[H:39][c:16]1[c:15]([c:20]([c:25]2[c:26]([c:21]1[H:44])[C:14](=[C:13]([S:9]2)[H:37])[S:35](=[O:3])(=[O:4])[N:29]([H:47])[C:12]3=[N:6][c:23]4[c:18]([c:17]([c:22]([c:19]([c:24]4[S:8]3)[H:42])[Cl:5])[H:40])[H:41])[H:43])[H:38].[H:57][C@@:33]([C:11](=[O:2])[N:27]([H:45])[C:31]([H:51])([H:52])[H:53])([C@@:34]([H:58])([C:32]... | [
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[H:43][c:14]1[c:15]([c:19]([c:27]([c:20]([c:16]1[H:45])[H:49])[C:10]2=[C:12]([C:36]([O:6][C:7]2=[O:1])([H:62])[H:63])[c:28]3[c:21]([c:25]([c:31]([c:26]([c:22]3[H:51])[H:55])[S:41](=[O:4])(=[O:5])[C:39]([H:69])([H:70])[H:71])[H:54])[H:50])[H:48])[H:44].[H:46][c:17]1[c:18]([c:24]([c:30]2[c:29]([c:23]1[H:52])[C:13](=[C:11... | [
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[H:27][c:12]1[c:11]([c:14]([c:13]([c:16]2[c:15]1[C:10](=[N:5][N:17]2[H:29])[H:25])[H:28])[O:6][H:24])[H:26].[H:40][C@@:23]([C:9](=[O:3])[N:18]([H:30])[C:21]([H:35])([H:36])[H:37])([C:22]([H:38])([H:39])[C:8](=[O:2])[O-:4])[N:19]([H:31])[C:7](=[O:1])[C:20]([H:32])([H:33])[H:34] | [
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[H:21][C:10]1=[C:11]([N:12]([C:9](=[N:6]1)[H:20])[H:22])[C:16]([F:3])([F:4])[F:5].[H:34][C@@:19]([C:8](=[O:2])[N:13]([H:23])[C:17]([H:28])([H:29])[H:30])([C:18]([H:31])([H:32])[H:33])[N:14]([H:24])[C:7](=[O:1])[C:15]([H:25])([H:26])[H:27] | [
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[H:41][C:20]1=[C:19]([C:15](=[O:2])[N:21]([C:16](=[O:3])[N:23]1[C@:28]2([C@:30]([C@:31]([C@@:29]([O:8]2)([H:54])[C:27]([H:51])([H:52])[O:14][P:35](=[O:6])([O:12][H:39])[O:13][H:40])([H:56])[O:10][H:37])([H:55])[O:9][H:36])[H:53])[H:42])[C:7]#[N:1].[H:60][C@@:33]([C:18](=[O:5])[N:22]([H:43])[C:26]([H:48])([H:49])[H:50])... | [
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[H:41][C:20]1=[C:19]([C:15](=[O:2])[N:21]([C:16](=[O:3])[N:23]1[C@:28]2([C@:30]([C@:31]([C@@:29]([O:8]2)([H:54])[C:27]([H:51])([H:52])[O:14][P:35](=[O:6])([O:12][H:39])[O:13][H:40])([H:56])[O:10][H:37])([H:55])[O:9][H:36])[H:53])[H:42])[C:7]#[N:1].[H:60][C@@:33]([C:18](=[O:5])[N:22]([H:43])[C:26]([H:48])([H:49])[H:50])... | [
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22.931495666503906,
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[H:41][c:19]1[c:21]([c:24]([c:22]([c:20]([c:23]1[C:11](=[O:3])[C:33]([H:58])([H:59])[S:8][C:13]2=[N:7][C:16](=[C:14]([C:9](=[O:1])[N:25]2[H:45])[H:38])[C:32]([H:55])([H:56])[H:57])[H:42])[H:44])[S:37](=[O:5])(=[O:6])[N:29]([H:49])[H:50])[H:43].[H:39][C:15]1=[C:17]([N:30]([C:18](=[N+:26]1[H:46])[H:40])[H:51])[C:35]([H:6... | [
4.436058044433594,
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1.8598270... | [
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] | [
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[H:41][c:19]1[c:20]([c:23]([c:22]([c:24]([c:21]1[H:43])[S:37](=[O:5])(=[O:6])[N:29]([H:49])[H:50])[H:44])[C:11](=[O:3])[C:33]([H:58])([H:59])[S:8][C:13]2=[N:7][C:16](=[C:14]([C:9](=[O:1])[N:25]2[H:45])[H:38])[C:32]([H:55])([H:56])[H:57])[H:42].[H:39][C:15]1=[C:17]([N:30]([C:18](=[N+:26]1[H:46])[H:40])[H:51])[C:35]([H:6... | [
1.1164510250091553,
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4.... | [
-1560037.125
] | [
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35.014888763427734,
26.258432388305664,
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[H:41][c:19]1[c:20]([c:23]([c:22]([c:24]([c:21]1[H:43])[S:37](=[O:5])(=[O:6])[N:29]([H:49])[H:50])[H:44])[C:11](=[O:3])[C:33]([H:58])([H:59])[S:8][C:13]2=[N:7][C:16](=[C:14]([C:9](=[O:1])[N:25]2[H:45])[H:38])[C:32]([H:55])([H:56])[H:57])[H:42].[H:39][C:15]1=[C:17]([N:30]([C:18](=[N+:26]1[H:46])[H:40])[H:51])[C:35]([H:6... | [
1.7308540344238281,
8.71491813659668,
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0.8560600280761719,
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1.987... | [
-1560029.5
] | [
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1.345714807510376,
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4.367311477661133,
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41.66615295410156,
-11.15349864... |
[H:41][c:19]1[c:21]([c:24]([c:22]([c:20]([c:23]1[C:11](=[O:3])[C:33]([H:58])([H:59])[S:8][C:13]2=[N:7][C:16](=[C:14]([C:9](=[O:1])[N:25]2[H:45])[H:38])[C:32]([H:55])([H:56])[H:57])[H:42])[H:44])[S:37](=[O:5])(=[O:6])[N:29]([H:49])[H:50])[H:43].[H:39][C:15]1=[C:17]([N:30]([C:18](=[N+:26]1[H:46])[H:40])[H:51])[C:35]([H:6... | [
2.207529067993164,
10.002037048339844,
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0.7293050289154053,
2.81... | [
-1560003.75
] | [
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4.039759159088135,
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13.61242389678955,
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36.780426025390625,
28.07020378112793,
-16.7044715... |
[H:41][c:19]1[c:20]([c:23]([c:22]([c:24]([c:21]1[H:43])[S:37](=[O:5])(=[O:6])[N:29]([H:49])[H:50])[H:44])[C:11](=[O:3])[C:33]([H:58])([H:59])[S:8][C:13]2=[N:7][C:16](=[C:14]([C:9](=[O:1])[N:25]2[H:45])[H:38])[C:32]([H:55])([H:56])[H:57])[H:42].[H:39][C:15]1=[C:17]([N:30]([C:18](=[N+:26]1[H:46])[H:40])[H:51])[C:35]([H:6... | [
-0.19857600331306458,
10.911142349243164,
-4.479668140411377,
-3.5402278900146484,
-4.448386192321777,
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0.2694369852542877,
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0.7064340114593506,
3.... | [
-1560021.625
] | [
-9.807007789611816,
7.775231838226318,
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-0.30058783292770386,
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6.4565629959106445,
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41.85186767578125,
36.642478942871094,
-4.767473697... |
[H:35][c:16]1[c:21]([c:17]([c:19]([c:20]([c:18]1[Cl:9])[O:11][H:32])[Cl:10])[H:36])[C:28]([C:26]([F:3])([F:4])[F:5])([C:27]([F:6])([F:7])[F:8])[O:12][H:33].[H:48][C@@:30]([C:15](=[O:2])[N:22]([H:37])[C:25]([H:42])([H:43])[H:44])([C@@:31]([H:49])([C:29]([H:45])([H:46])[H:47])[O:13][H:34])[N:23]([H:38])[C:14](=[O:1])[C:2... | [
-4.768643856048584,
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2.173089027404785,
6.4923810958862305,
-1.8796290159225464,
4.2693... | [
-1647744.375
] | [
-0.97452312707901,
-7.4209747314453125,
-0.5530835390090942,
8.178568840026855,
3.0735106468200684,
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-17.006324768066406,
18.424375534057617,
-11.076662063598633,
-10.113506317138672,
-16.2... |
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