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88.19618225097656,
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377.14239... |
[H:26][c:25]1[c:24]([c:23]([c:22]([c:21]([c:20]1[S:17](=[O:18])(=[O:19])[N:16]([H:31])[C@:15]2([C@@:8]([C:9]([C:10]([C:11]([C:12]2([H:13])[H:14])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[S:7][C:6]3=[N:5][N:4]=[C:3]([N:2]3[C:1]([H:41])([H:42])[H:43])[H:40])[H:32])[H:30])[H:29])[Cl:28])[H:27] | [
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0.2174929976463318,
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... | [
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] | [
6.241092205047607,
24.23928451538086,
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195.59410095214844,
56.812835693359375,
176.2278... |
[H:26][c:25]1[c:24]([c:23]([c:22]([c:21]([c:20]1[S:17](=[O:18])(=[O:19])[N:16]([H:31])[C@:15]2([C@@:8]([C:9]([C:10]([C:11]([C:12]2([H:13])[H:14])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[S:7][C:6]3=[N:5][N:4]=[C:3]([N:2]3[C:1]([H:41])([H:42])[H:43])[H:40])[H:32])[H:30])[H:29])[Cl:28])[H:27] | [
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0.08367899805307388,
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... | [
-1386206.375
] | [
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7.845354080200195,
12.260673522949219,
12.106959342956543,
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12.297593116760254,
-3.5569188594818115,
8.... |
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