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[H:30][c:14]1[c:18]([c:13]([n:5][c:12]([c:17]1[Cl:3])[O:7][c:19]2[c:16]([c:22]3[c:20]([c:21]([c:15]2[H:31])[C:24]([H:36])([H:37])[H:38])[B:10]([O:8][C:25]3([H:39])[H:40])[O:6][H:29])[H:32])[O:9][C:26]([H:41])([H:42])[C:28]([H:45])([H:46])[C:27]([H:43])([H:44])[C:11](=[O:2])[C:23]([H:33])([H:34])[H:35])[C:4]#[N:1] | [
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3.1904349327087402,
1.708698034286499,
-1.5438369512557983,
0.7254220247268677,
0.15148000... | [
-1070317.5
] | [
10.41477108001709,
-24.805784225463867,
-34.05663299560547,
26.998001098632812,
-12.963135719299316,
10.158219337463379,
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-27.9466552734375,
59.29332733154297,
86.30725860595703,
-19.668855667114258,
6.80195951461792,
-10.157440... |
[H:30][c:14]1[c:18]([c:13]([n:5][c:12]([c:17]1[Cl:3])[O:7][c:19]2[c:16]([c:22]3[c:20]([c:21]([c:15]2[H:31])[C:24]([H:36])([H:37])[H:38])[B:10]([O:8][C:25]3([H:39])[H:40])[O:6][H:29])[H:32])[O:9][C:26]([H:41])([H:42])[C:28]([H:45])([H:46])[C:27]([H:43])([H:44])[C:11](=[O:2])[C:23]([H:33])([H:34])[H:35])[C:4]#[N:1] | [
-2.5291290283203125,
-6.123030185699463,
0.9691359996795654,
-1.9103859663009644,
1.4999580383300781,
0.7608940005302429,
3.14389705657959,
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0.29140400886535645,
-1.7854030132293701,
-5.260378837585449,
0.783348023891449,
-0.20852500200271606,
-1.9701039791107178,
0.33... | [
-1070312.25
] | [
7.596083641052246,
11.982080459594727,
-5.111047744750977,
-9.989265441894531,
1.5565217733383179,
-12.585866928100586,
13.633065223693848,
-3.8071210384368896,
4.4911322593688965,
-16.811485290527344,
-23.9144344329834,
9.663424491882324,
-1.9147179126739502,
-23.145862579345703,
13.507... |
[H:30][c:14]1[c:18]([c:13]([n:5][c:12]([c:17]1[Cl:3])[O:7][c:19]2[c:16]([c:22]3[c:20]([c:21]([c:15]2[H:31])[C:24]([H:36])([H:37])[H:38])[B:10]([O:8][C:25]3([H:39])[H:40])[O:6][H:29])[H:32])[O:9][C:26]([H:41])([H:42])[C:28]([H:45])([H:46])[C:27]([H:43])([H:44])[C:11](=[O:2])[C:23]([H:33])([H:34])[H:35])[C:4]#[N:1] | [
5.403182029724121,
-0.1096939966082573,
-0.9434810280799866,
4.730003833770752,
2.2968809604644775,
3.4202001094818115,
1.1435589790344238,
-4.326077938079834,
-1.083709955215454,
4.287413120269775,
-0.4179770052433014,
-1.012666940689087,
0.6144469976425171,
-0.3571600019931793,
-0.8864... | [
-1070310.25
] | [
-27.12579917907715,
-8.375968933105469,
-3.818014144897461,
-13.429670333862305,
13.830089569091797,
12.215604782104492,
-4.958291530609131,
2.8923146724700928,
-6.202256679534912,
69.59831237792969,
26.856040954589844,
1.6053988933563232,
11.192602157592773,
-22.499956130981445,
-14.025... |
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