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[H:44][C@:20]1([C:17]([C:14]([O:3][B:8]([O:6]1)[O:5][C@:19]([H:43])([C:10]([H:24])([H:25])[H:26])[C:16]([H:38])([H:39])[C:13]([H:32])([H:33])[O:2][B:7]2[O:4][C@:18]([C:15]([C:12]([O:1]2)([H:30])[H:31])([H:36])[H:37])([H:42])[C:9]([H:21])([H:22])[H:23])([H:34])[H:35])([H:40])[H:41])[C:11]([H:27])([H:28])[H:29] | [
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[H:44][C@:20]1([C:17]([C:14]([O:3][B:8]([O:6]1)[O:5][C@:19]([H:43])([C:10]([H:24])([H:25])[H:26])[C:16]([H:38])([H:39])[C:13]([H:32])([H:33])[O:2][B:7]2[O:4][C@:18]([C:15]([C:12]([O:1]2)([H:30])[H:31])([H:36])[H:37])([H:42])[C:9]([H:21])([H:22])[H:23])([H:34])[H:35])([H:40])[H:41])[C:11]([H:27])([H:28])[H:29] | [
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[H:44][C@:20]1([C:17]([C:14]([O:3][B:8]([O:6]1)[O:5][C@:19]([H:43])([C:10]([H:24])([H:25])[H:26])[C:16]([H:38])([H:39])[C:13]([H:32])([H:33])[O:2][B:7]2[O:4][C@:18]([C:15]([C:12]([O:1]2)([H:30])[H:31])([H:36])[H:37])([H:42])[C:9]([H:21])([H:22])[H:23])([H:34])[H:35])([H:40])[H:41])[C:11]([H:27])([H:28])[H:29] | [
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[H:44][C@:20]1([C:17]([C:14]([O:3][B:8]([O:6]1)[O:5][C@:19]([H:43])([C:10]([H:24])([H:25])[H:26])[C:16]([H:38])([H:39])[C:13]([H:32])([H:33])[O:2][B:7]2[O:4][C@:18]([C:15]([C:12]([O:1]2)([H:30])[H:31])([H:36])[H:37])([H:42])[C:9]([H:21])([H:22])[H:23])([H:34])[H:35])([H:40])[H:41])[C:11]([H:27])([H:28])[H:29] | [
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[H:44][C@:20]1([C:17]([C:14]([O:3][B:8]([O:6]1)[O:5][C@@:19]([H:43])([C:10]([H:24])([H:25])[H:26])[C:16]([H:38])([H:39])[C:13]([H:32])([H:33])[O:2][B:7]2[O:4][C@:18]([C:15]([C:12]([O:1]2)([H:30])[H:31])([H:36])[H:37])([H:42])[C:9]([H:21])([H:22])[H:23])([H:34])[H:35])([H:40])[H:41])[C:11]([H:27])([H:28])[H:29] | [
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[H:44][C@:20]1([C:17]([C:14]([O:3][B:8]([O:6]1)[O:5][C@:19]([H:43])([C:10]([H:24])([H:25])[H:26])[C:16]([H:38])([H:39])[C:13]([H:32])([H:33])[O:2][B:7]2[O:4][C@@:18]([C:15]([C:12]([O:1]2)([H:30])[H:31])([H:36])[H:37])([H:42])[C:9]([H:21])([H:22])[H:23])([H:34])[H:35])([H:40])[H:41])[C:11]([H:27])([H:28])[H:29] | [
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[H:36][c:20]1[c:22]([c:21]([c:19]([c:23]2[c:24]1[C:13]3=[N:7][C:16](=[C:17]([N:26]3[C:31]([C:29]([O:9]2)([H:44])[H:45])([H:46])[H:47])[H:34])[C:12](=[O:2])[N:25]([H:37])[H:38])[H:35])[F:3])[C:5]#[C:6][C@:30]([C:14]4=[N:8][C:18](=[C:15]([S:11]4)[H:33])[C:27]([H:39])([H:40])[C:4]#[N:1])([C:28]([H:41])([H:42])[H:43])[O:10... | [
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[H:33][c:18]1[c:19]([c:20]([c:17]([n:8][c:13]1[H:32])[C:24]([F:2])([F:3])[F:4])[S:9][c:14]2[c:15]([n:7][c:16]([c:12]([n:6]2)[H:31])[N:23]3[C:26]([C:28]([C:30]4([C:11](=[N:5][C:10](=[O:1])[C:25]4([H:39])[H:40])[N:21]([H:35])[H:36])[C:29]([C:27]3([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])([H:41])[H:42])[N:22]([H:37])[H... | [
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[H:44][C@:20]1([C:17]([C:14]([O:3][B:8]([O:6]1)[O:5][C@:19]([H:43])([C:10]([H:24])([H:25])[H:26])[C:16]([H:38])([H:39])[C:13]([H:32])([H:33])[O:2][B:7]2[O:4][C@:18]([C:15]([C:12]([O:1]2)([H:30])[H:31])([H:36])[H:37])([H:42])[C:9]([H:21])([H:22])[H:23])([H:34])[H:35])([H:40])[H:41])[C:11]([H:27])([H:28])[H:29] | [
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[H:36][c:20]1[c:22]([c:21]([c:19]([c:23]2[c:24]1[C:13]3=[N:7][C:16](=[C:17]([N:26]3[C:31]([C:29]([O:9]2)([H:44])[H:45])([H:46])[H:47])[H:34])[C:12](=[O:2])[N:25]([H:37])[H:38])[H:35])[F:3])[C:5]#[C:6][C@@:30]([C:14]4=[N:8][C:18](=[C:15]([S:11]4)[H:33])[C:27]([H:39])([H:40])[C:4]#[N:1])([C:28]([H:41])([H:42])[H:43])[O:1... | [
2.631071090698242,
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[H:32][C:13](=[C:14]([C:25]([H:57])([H:58])[C@:26]([C:10](=[O:3])[H:31])([C:21]([H:45])([H:46])[H:47])[N:17]([H:37])[C:8](=[O:1])[O:7][C:27]([C:22]([H:48])([H:49])[H:50])([C:23]([H:51])([H:52])[H:53])[C:24]([H:54])([H:55])[H:56])[O:6][H:30])[H:33].[H:61][C@@:29]([C:12](=[O:5])[N:16]([H:36])[C:20]([H:42])([H:43])[H:44])... | [
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[H:36][c:20]1[c:22]([c:21]([c:19]([c:23]2[c:24]1[C:13]3=[N:7][C:16](=[C:17]([N:26]3[C:31]([C:29]([O:9]2)([H:44])[H:45])([H:46])[H:47])[H:34])[C:12](=[O:2])[N:25]([H:37])[H:38])[H:35])[F:3])[C:5]#[C:6][C@:30]([C:14]4=[N:8][C:18](=[C:15]([S:11]4)[H:33])[C:27]([H:39])([H:40])[C:4]#[N:1])([C:28]([H:41])([H:42])[H:43])[O:10... | [
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[H:44][C@:20]1([C:17]([C:14]([O:3][B:8]([O:6]1)[O:5][C@:19]([H:43])([C:10]([H:24])([H:25])[H:26])[C:16]([H:38])([H:39])[C:13]([H:32])([H:33])[O:2][B:7]2[O:4][C@:18]([C:15]([C:12]([O:1]2)([H:30])[H:31])([H:36])[H:37])([H:42])[C:9]([H:21])([H:22])[H:23])([H:34])[H:35])([H:40])[H:41])[C:11]([H:27])([H:28])[H:29] | [
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[H:36][c:20]1[c:22]([c:21]([c:19]([c:23]2[c:24]1[C:13]3=[N:7][C:16](=[C:17]([N:26]3[C:31]([C:29]([O:9]2)([H:44])[H:45])([H:46])[H:47])[H:34])[C:12](=[O:2])[N:25]([H:37])[H:38])[H:35])[F:3])[C:5]#[C:6][C@@:30]([C:14]4=[N:8][C:18](=[C:15]([S:11]4)[H:33])[C:27]([H:39])([H:40])[C:4]#[N:1])([C:28]([H:41])([H:42])[H:43])[O:1... | [
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[H:36][c:20]1[c:22]([c:21]([c:19]([c:23]2[c:24]1[C:13]3=[N:7][C:16](=[C:17]([N:26]3[C:31]([C:29]([O:9]2)([H:44])[H:45])([H:46])[H:47])[H:34])[C:12](=[O:2])[N:25]([H:37])[H:38])[H:35])[F:3])[C:5]#[C:6][C@:30]([C:14]4=[N:8][C:18](=[C:15]([S:11]4)[H:33])[C:27]([H:39])([H:40])[C:4]#[N:1])([C:28]([H:41])([H:42])[H:43])[O:10... | [
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1.650004... | [
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[H:44][C@:20]1([C:17]([C:14]([O:3][B:8]([O:6]1)[O:5][C@:19]([H:43])([C:10]([H:24])([H:25])[H:26])[C:16]([H:38])([H:39])[C:13]([H:32])([H:33])[O:2][B:7]2[O:4][C@:18]([C:15]([C:12]([O:1]2)([H:30])[H:31])([H:36])[H:37])([H:42])[C:9]([H:21])([H:22])[H:23])([H:34])[H:35])([H:40])[H:41])[C:11]([H:27])([H:28])[H:29] | [
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[H:36][c:20]1[c:22]([c:21]([c:19]([c:23]2[c:24]1[C:13]3=[N:7][C:16](=[C:17]([N:26]3[C:31]([C:29]([O:9]2)([H:44])[H:45])([H:46])[H:47])[H:34])[C:12](=[O:2])[N:25]([H:37])[H:38])[H:35])[F:3])[C:5]#[C:6][C@:30]([C:14]4=[N:8][C:18](=[C:15]([S:11]4)[H:33])[C:27]([H:39])([H:40])[C:4]#[N:1])([C:28]([H:41])([H:42])[H:43])[O:10... | [
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-1134126
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[H:33][c:18]1[c:19]([c:20]([c:17]([n:8][c:13]1[H:32])[C:24]([F:2])([F:3])[F:4])[S:9][c:14]2[c:15]([n:7][c:16]([c:12]([n:6]2)[H:31])[N:23]3[C:26]([C:28]([C:30]4([C:11](=[N:5][C:10](=[O:1])[C:25]4([H:39])[H:40])[N:21]([H:35])[H:36])[C:29]([C:27]3([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])([H:41])[H:42])[N:22]([H:37])[H... | [
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-2.4066569... | [
-2122093
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