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[H:36][C:32]1=[C:33]([S:34][C:30](=[C:31]1[H:37])[C:18]2=[N:17][C:16]3=[C:15]([C:23](=[N:22][N:21]3[C:20](=[C:19]2[H:29])[C:25]([F:26])([F:27])[F:28])[H:24])[C:13](=[O:14])[N:12]4[C:38]([C:40]([N:8]([C:9]([C:11]4([H:44])[H:45])([H:10])[H:46])[C:6](=[O:7])[O:5][C:2]([H:3])([H:4])[C:1]([H:47])([H:48])[H:49])([H:41])[H:42... | [
6.795869827270508,
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0.3404900133609... | [
-1212448.5
] | [
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[H:42][c:33]1[c:34]([c:35]([c:36]([c:37]([c:32]1[N:31]([H:43])[C:29](=[O:30])[C:26]([H:27])([H:28])[N:21]([C:19](=[O:20])[C:18]([H:44])([H:45])[S:17][C:5]2=[N:6][N:7]=[C:8]([N:4]2[C:3]([H:46])([H:47])[C:1]([H:2])([H:48])[H:49])[C:9]3=[C:10]([C:11](=[C:12]([O:13]3)[H:14])[H:15])[H:16])[C:22]([H:23])([H:24])[H:25])[F:38]... | [
0.5782470107078552,
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1.4380439519882202,
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-1212424.125
] | [
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[H:36][C:32]1=[C:33]([S:34][C:30](=[C:31]1[H:37])[C:18]2=[N:17][C:16]3=[C:15]([C:23](=[N:22][N:21]3[C:20](=[C:19]2[H:29])[C:25]([F:26])([F:27])[F:28])[H:24])[C:13](=[O:14])[N:12]4[C:38]([C:40]([N:8]([C:9]([C:11]4([H:44])[H:45])([H:10])[H:46])[C:6](=[O:7])[O:5][C:2]([H:3])([H:4])[C:1]([H:47])([H:48])[H:49])([H:41])[H:42... | [
-8.451316833496094,
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-1.... | [
-1212449.125
] | [
9.149669647216797,
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5.750799179077148,
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[H:42][c:33]1[c:34]([c:35]([c:36]([c:37]([c:32]1[N:31]([H:43])[C:29](=[O:30])[C:26]([H:27])([H:28])[N:21]([C:19](=[O:20])[C:18]([H:44])([H:45])[S:17][C:5]2=[N:6][N:7]=[C:8]([N:4]2[C:3]([H:46])([H:47])[C:1]([H:2])([H:48])[H:49])[C:9]3=[C:10]([C:11](=[C:12]([O:13]3)[H:14])[H:15])[H:16])[C:22]([H:23])([H:24])[H:25])[F:38]... | [
-0.6911739706993103,
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-1.7464710474014282,
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0.36647799611091614,
1.3530019521713257,
-1.7999049425125122,... | [
-1212426.5
] | [
0.4646248519420624,
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0.974864661693573,
3.844953... |
[H:35][c:25]1[c:26]([c:27]([c:28]([c:23]([c:24]1[H:36])[N:22]([H:37])[C:20](=[O:21])[C:19]([H:38])([H:39])[S:18][c:16]2[c:15]3[c:8]([n:7][c:6]([n:17]2)[C:5]([H:48])([H:49])[C:1]([H:2])([H:3])[H:4])[N:9]([C:10](=[O:11])[N:12]([C:13]3=[O:14])[C:40]([H:41])([H:42])[H:43])[C:44]([H:45])([H:46])[H:47])[H:29])[C:30]([F:31])(... | [
-1.3903110027313232,
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2.... | [
-1211891.625
] | [
68.28539276123047,
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-120.35741424560547,
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-25.890525817871094,
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-12.281363487243652,
45.728050231933594,
93.17754364013672,
182.0959930419922,
327.812774... |
[H:35][c:25]1[c:26]([c:27]([c:28]([c:23]([c:24]1[H:36])[N:22]([H:37])[C:20](=[O:21])[C:19]([H:38])([H:39])[S:18][c:16]2[c:15]3[c:8]([n:7][c:6]([n:17]2)[C:5]([H:48])([H:49])[C:1]([H:2])([H:3])[H:4])[N:9]([C:10](=[O:11])[N:12]([C:13]3=[O:14])[C:40]([H:41])([H:42])[H:43])[C:44]([H:45])([H:46])[H:47])[H:29])[C:30]([F:31])(... | [
4.036863803863525,
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-1.5606249570846558,
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-1.665490984916687,
2.8953330516815186,
2.9353559017181396,
-2.31036591529... | [
-1211834
] | [
29.605220794677734,
-54.78717041015625,
-164.02430725097656,
-15.139360427856445,
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7.964943885803223,
15.491997718811035,
16.09018325805664,
61.77772521972656,
220.39747... |
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