smiles stringlengths 10 765 | coords listlengths 6 330 | energy listlengths 1 1 | forces listlengths 6 330 |
|---|---|---|---|
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-6.679837226867676,
1.0810890197753906,
-4.5989298820495605,
-7.138731002807617,
1.8362699747085571,
-2.6427669525146484,
-5.844820976257324,
3.023315906524658,
-3.9832229614257812,
-2.0725460052490234,
0.6538749933242798,
-1.067270040512085,
-4.174415111541748,
0.1190750002861023,
-3.84... | [
-939231.6875
] | [
-0.9588003158569336,
11.627175331115723,
-2.4766523838043213,
15.225549697875977,
7.682124614715576,
-2.00911283493042,
-16.45694923400879,
-5.729868412017822,
4.4606804847717285,
21.602432250976562,
-9.769195556640625,
24.604921340942383,
-23.382102966308594,
-6.401958465576172,
4.77099... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-4.807930946350098,
-4.075933933258057,
-2.1550381183624268,
-2.643202066421509,
-4.327670097351074,
-2.8960399627685547,
-3.274561882019043,
-5.478941917419434,
-1.1695159673690796,
-2.127440929412842,
0.21360300481319427,
0.21561199426651,
-2.8279199600219727,
-3.2921199798583984,
0.59... | [
-939166.0625
] | [
58.54623794555664,
-6.646493911743164,
18.108501434326172,
-49.830474853515625,
17.01390838623047,
31.862455368041992,
-34.09836959838867,
42.72101593017578,
-16.801342010498047,
1.2525056600570679,
-1.2399407625198364,
22.51016616821289,
-18.52042579650879,
33.81306076049805,
5.62819576... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-6.709216117858887,
0.9068970084190369,
-4.468445777893066,
-6.920812129974365,
1.3737820386886597,
-2.32521390914917,
-6.02008581161499,
2.7995290756225586,
-3.7030539512634277,
-1.8186399936676025,
0.8961219787597656,
-1.3760579824447632,
-4.106929779052734,
0.19620800018310547,
-3.975... | [
-939180.6875
] | [
-4.076591968536377,
6.3204545974731445,
18.73827362060547,
-25.263200759887695,
5.866574287414551,
7.248690605163574,
-15.272270202636719,
24.187896728515625,
1.0407536029815674,
26.67449378967285,
-10.565640449523926,
23.955848693847656,
13.921662330627441,
-5.2491044998168945,
1.677324... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
6.297182083129883,
3.573291063308716,
-1.9660979509353638,
5.687098979949951,
5.301276206970215,
-0.6428890228271484,
7.189702987670898,
3.8755409717559814,
0.05828100070357323,
1.829671025276184,
1.3699179887771606,
0.17489799857139587,
4.921370983123779,
2.6701860427856445,
1.285559058... | [
-939228.875
] | [
-7.13843297958374,
18.288288116455078,
34.13534927368164,
11.122810363769531,
-22.922054290771484,
-19.794036865234375,
-27.691293716430664,
-0.6483702063560486,
-28.578022003173828,
-5.217986106872559,
-6.754379749298096,
-11.888870239257812,
21.759653091430664,
8.320279121398926,
-15.8... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
0.15881100296974182,
-2.1371240615844727,
-5.125152111053467,
-1.7108609676361084,
-1.1077990531921387,
-5.000336170196533,
0.026335999369621277,
-0.3168190121650696,
-6.2569098472595215,
-0.027462000027298927,
1.5218570232391357,
-0.7662069797515869,
1.2771190404891968,
0.6391739845275879... | [
-939231.75
] | [
6.264618873596191,
-18.045249938964844,
-0.8053112030029297,
9.531394958496094,
11.473081588745117,
-17.821128845214844,
-28.493629455566406,
-11.368677139282227,
32.043251037597656,
15.559539794921875,
15.562384605407715,
25.081186294555664,
-0.8999504446983337,
-14.08220386505127,
-22.... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
0.656898021697998,
0.17041200399398804,
-4.775876998901367,
2.048383951187134,
-1.505903959274292,
-4.974130153656006,
-0.02080399915575981,
-1.8934199810028076,
-4.000227928161621,
1.5268700122833252,
0.795678973197937,
0.30393099784851074,
2.786895990371704,
-1.2455639839172363,
-2.351... | [
-939174.0625
] | [
-23.60823631286621,
-24.672927856445312,
-4.787286281585693,
-51.638248443603516,
0.8024676442146301,
14.091318130493164,
29.737092971801758,
35.274471282958984,
-31.966402053833008,
49.48719787597656,
-5.719939231872559,
40.06593322753906,
-1.4006301164627075,
14.84526538848877,
8.47552... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
4.264171123504639,
1.1511679887771606,
2.080082893371582,
4.901832103729248,
-0.4568119943141937,
3.5089540481567383,
5.109011173248291,
-0.8221380114555359,
1.3287080526351929,
-0.2531619966030121,
-1.3363349437713623,
0.7335479855537415,
2.242938995361328,
-1.3359400033950806,
3.225701... | [
-939232.1875
] | [
26.173311233520508,
-28.49213981628418,
0.7783741354942322,
-11.346613883972168,
13.777541160583496,
-40.279232025146484,
-2.6845245361328125,
28.488832473754883,
18.54763412475586,
-36.31098175048828,
-20.13564109802246,
0.2282824069261551,
12.1373929977417,
7.199423313140869,
4.9769191... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-5.038833141326904,
2.9435319900512695,
5.359377861022949,
-3.347930908203125,
1.8614170551300049,
6.5203328132629395,
-4.71365213394165,
0.7916340231895447,
5.277019023895264,
-1.0210380554199219,
0.9590989947319031,
1.5496610403060913,
-2.403907060623169,
3.298264980316162,
3.786511898... | [
-939175.9375
] | [
27.29362678527832,
-10.32453441619873,
22.228429794311523,
-23.411012649536133,
29.827550888061523,
-9.108030319213867,
-0.4885001480579376,
27.507593154907227,
1.7827396392822266,
-27.618019104003906,
-18.211837768554688,
22.127349853515625,
-10.237751960754395,
18.905134201049805,
36.9... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
5.854856967926025,
4.0346221923828125,
-1.3982789516448975,
4.4665021896362305,
5.451764106750488,
-0.28556200861930847,
6.169926166534424,
4.650059223175049,
0.8414130210876465,
1.8839479684829712,
0.7687770128250122,
0.06856899708509445,
4.566516876220703,
2.5611910820007324,
1.5487229... | [
-939166.5625
] | [
-14.711761474609375,
29.393003463745117,
47.25332260131836,
21.423057556152344,
-17.163808822631836,
-16.51475715637207,
-17.568307876586914,
-7.266992568969727,
-56.565494537353516,
-28.857736587524414,
-24.939233779907227,
1.125227928161621,
-0.3576127886772156,
-1.6562979221343994,
-2... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
2.6199870109558105,
5.5418782234191895,
3.6682939529418945,
3.227842092514038,
3.5641939640045166,
4.520784854888916,
4.564682960510254,
4.6671857833862305,
3.2954249382019043,
2.07478404045105,
1.1584570407867432,
-0.18647000193595886,
1.6505659818649292,
4.27003288269043,
1.44361805915... | [
-939235.125
] | [
9.79086971282959,
-18.746000289916992,
12.749456405639648,
-9.056685447692871,
5.202243328094482,
12.324834823608398,
4.7735819816589355,
1.562099814414978,
-7.3353962898254395,
-11.155020713806152,
-13.592035293579102,
-21.745019912719727,
4.67679500579834,
-1.6012508869171143,
2.600549... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-0.10101699829101562,
3.101975917816162,
6.508953094482422,
-2.1541810035705566,
2.4535419940948486,
7.05605411529541,
-1.8424659967422485,
3.927272081375122,
5.482954025268555,
-0.48433199524879456,
0.26614901423454285,
1.802644968032837,
-0.9797210097312927,
0.28186601400375366,
5.2987... | [
-939181.5
] | [
-14.054746627807617,
1.0502840280532837,
5.2307515144348145,
35.549198150634766,
-5.321701526641846,
-45.71147918701172,
13.576190948486328,
-33.22144317626953,
-0.9152000546455383,
-1.4273016452789307,
-13.31531047821045,
24.936193466186523,
-31.85026741027832,
40.34953308105469,
3.4916... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-3.459027051925659,
-0.7448899745941162,
6.442386150360107,
-1.5131889581680298,
-1.2148089408874512,
7.294365882873535,
-2.3658359050750732,
0.7552469968795776,
7.614573001861572,
-0.17075900733470917,
-0.03440999984741211,
2.1398611068725586,
-1.0167369842529297,
1.421754002571106,
5.2... | [
-939235.0625
] | [
-2.983053684234619,
-1.4066861867904663,
7.0363240242004395,
-5.108033180236816,
-9.481969833374023,
9.560243606567383,
0.15828576683998108,
-18.710067749023438,
-24.4841251373291,
1.8380498886108398,
-0.3135097324848175,
-19.50758171081543,
-6.089407920837402,
-10.885279655456543,
5.507... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-3.451725959777832,
-0.9841409921646118,
6.620905876159668,
-1.406190037727356,
-1.0989739894866943,
7.094296932220459,
-2.512136936187744,
0.8394169807434082,
7.449228763580322,
-0.9755759835243225,
-0.004048999864608049,
1.878033995628357,
-1.3447959423065186,
1.461122989654541,
5.0179... | [
-939194.6875
] | [
-11.148083686828613,
13.43665599822998,
7.560670375823975,
7.955025672912598,
19.82879638671875,
18.040632247924805,
7.5853271484375,
-26.277685165405273,
-0.25160276889801025,
12.142114639282227,
11.910139083862305,
-5.1631646156311035,
11.700838088989258,
6.269739627838135,
18.13818931... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-2.693099021911621,
-3.042691946029663,
3.9790000915527344,
-2.9180309772491455,
-3.2789289951324463,
1.7769880294799805,
-1.0848389863967896,
-3.365449905395508,
2.9112019538879395,
-0.5306360125541687,
1.3256059885025024,
0.649383008480072,
-1.6665120124816895,
-0.3043760061264038,
3.5... | [
-939173.1875
] | [
-41.425201416015625,
36.71567916870117,
-11.469297409057617,
13.585246086120605,
8.364516258239746,
15.39704704284668,
133.51483154296875,
-69.35282897949219,
-32.50428771972656,
5.560576915740967,
73.25405883789062,
20.432764053344727,
-28.453859329223633,
-78.48799133300781,
0.78253400... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
0.10021799802780151,
6.9744977951049805,
-3.596527099609375,
-1.1914739608764648,
6.829325199127197,
-1.8742120265960693,
0.8628529906272888,
7.476736068725586,
-1.5544910430908203,
0.7562119960784912,
1.9677499532699585,
-0.47205400466918945,
1.1517579555511475,
4.431903839111328,
-3.01... | [
-939185.6875
] | [
6.274651050567627,
-11.838024139404297,
33.66816329956055,
-22.451353073120117,
11.590948104858398,
7.2110724449157715,
-20.048864364624023,
-15.943598747253418,
-23.066503524780273,
-19.319883346557617,
11.209920883178711,
-6.519236087799072,
-24.24299430847168,
33.906009674072266,
45.3... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-4.413879871368408,
-1.908458948135376,
4.305357933044434,
-5.883971214294434,
-2.8346140384674072,
2.9414539337158203,
-4.051881790161133,
-3.9777441024780273,
3.5380680561065674,
-1.0302389860153198,
-1.8510849475860596,
-0.1693349927663803,
-4.3973798751831055,
-1.6637530326843262,
0.... | [
-939230.0625
] | [
-3.175945281982422,
-19.29127311706543,
-3.672847032546997,
41.088382720947266,
-0.39461278915405273,
15.722095489501953,
-18.502775192260742,
30.82837677001953,
6.24983549118042,
33.53010177612305,
-10.045984268188477,
11.952326774597168,
6.248691082000732,
-15.098420143127441,
23.75954... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-6.541257858276367,
3.88071608543396,
-2.734062910079956,
-5.506009101867676,
4.550608158111572,
-0.8253520131111145,
-6.785731792449951,
2.7299931049346924,
-0.8341839909553528,
-1.7889569997787476,
0.79830002784729,
-0.9375360012054443,
-4.010446071624756,
2.4449970722198486,
-3.102602... | [
-939233.3125
] | [
23.55996322631836,
-5.1648969650268555,
46.002296447753906,
-22.967792510986328,
-13.26061725616455,
-20.470407485961914,
18.31144905090332,
30.42026138305664,
-19.172775268554688,
24.0690860748291,
-2.6404879093170166,
42.404415130615234,
-12.332220077514648,
12.6128511428833,
19.068965... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-3.1695261001586914,
-3.4395010471343994,
-2.495826005935669,
-1.6130579710006714,
-4.713843822479248,
-1.5065820217132568,
-3.783121109008789,
-4.910726070404053,
-1.0075589418411255,
-1.4970840215682983,
0.29283300042152405,
0.6775550246238708,
-3.1132960319519043,
-2.8295750617980957,
... | [
-939232.5625
] | [
13.859469413757324,
-18.226106643676758,
6.192867279052734,
-29.73279571533203,
8.266541481018066,
-7.313601016998291,
34.828392028808594,
22.198789596557617,
-3.919076919555664,
17.588285446166992,
13.588422775268555,
17.739999771118164,
1.191287636756897,
-12.385555267333984,
-13.76973... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
0.36865100264549255,
1.4172379970550537,
1.5203319787979126,
0.25985801219940186,
0.5367019772529602,
0.670395016670227,
0.30039501190185547,
-4.640683174133301,
-6.209517002105713,
-0.7420250177383423,
-4.313621997833252,
-5.5385589599609375,
-0.09835200011730194,
3.5977609157562256,
2.... | [
-636259
] | [
-4.960468292236328,
-56.46659469604492,
-40.75470733642578,
3.9073076248168945,
43.93856430053711,
36.924232482910156,
33.06629943847656,
0.9301876425743103,
6.621804714202881,
69.46842956542969,
8.013022422790527,
-27.454689025878906,
-23.39932632446289,
54.69126510620117,
-1.1161931753... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
-0.4480369985103607,
0.8886690139770508,
1.360690951347351,
0.37057000398635864,
0.24956800043582916,
0.6737340092658997,
5.76895809173584,
-3.649158000946045,
-4.47866678237915,
5.9877471923828125,
-2.4083991050720215,
-4.1418938636779785,
-0.5439410209655762,
1.89451003074646,
3.633363... | [
-636209.6875
] | [
58.87970733642578,
-42.76779556274414,
-25.305702209472656,
-45.140132904052734,
44.53071212768555,
40.21877670288086,
-61.04826736450195,
44.28474426269531,
61.820560455322266,
16.521589279174805,
-63.56849670410156,
-45.198856353759766,
-15.05042552947998,
-25.988332748413086,
-11.6148... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-3.692507028579712,
-3.197695016860962,
4.3581461906433105,
-5.741764068603516,
-2.9068949222564697,
3.543720006942749,
-4.535923004150391,
-4.596428871154785,
2.9259819984436035,
-1.168902039527893,
-2.1059579849243164,
-0.4417789876461029,
-4.205449104309082,
-1.5465220212936401,
1.234... | [
-939176.4375
] | [
-10.074644088745117,
-3.3144919872283936,
-3.3775408267974854,
56.59674072265625,
-1.2802064418792725,
-17.628938674926758,
4.44777774810791,
-3.8629305362701416,
1.1553454399108887,
23.58270835876465,
-8.02066421508789,
9.717683792114258,
-37.791748046875,
-1.4431607723236084,
55.014072... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.1643489599227905,
1.468353033065796,
-0.09654299914836884,
0.6443089842796326,
0.746399998664856,
0.717028021812439,
-1.386546015739441,
-5.536684036254883,
6.566469192504883,
-1.808266043663025,
-4.370069980621338,
6.200364112854004,
3.1021060943603516,
2.716001033782959,
-0.974268019... | [
-636265.6875
] | [
-1.9617524147033691,
-1.3125520944595337,
-4.311967849731445,
-1.6472406387329102,
19.923377990722656,
0.11306210607290268,
23.935869216918945,
-8.097207069396973,
-13.879958152770996,
1.826111078262329,
-91.45349884033203,
39.97353744506836,
-1.333475947380066,
-5.253936767578125,
-19.6... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
-0.6382020115852356,
0.5801889896392822,
-0.45803600549697876,
0.1439010053873062,
1.081220030784607,
0.32670700550079346,
5.96455192565918,
4.914000988006592,
5.53422212600708,
5.2446770668029785,
3.8661820888519287,
5.840092182159424,
-3.034334897994995,
-0.18269599974155426,
-1.109395... | [
-636214.8125
] | [
-6.30129861831665,
13.187386512756348,
25.980817794799805,
-17.204349517822266,
-6.981292724609375,
-33.86310577392578,
-30.129364013671875,
-29.642623901367188,
1.4371771812438965,
8.936018943786621,
45.80691909790039,
16.760515213012695,
73.17058563232422,
38.64650344848633,
28.8343124... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-5.391489028930664,
3.3899149894714355,
-0.8562420010566711,
-3.8520760536193848,
3.6504011154174805,
-2.3243539333343506,
-5.57692813873291,
2.2577240467071533,
-2.831166982650757,
-1.7086670398712158,
-0.8029590249061584,
0.4152269959449768,
-4.070992946624756,
0.2629370093345642,
-2.0... | [
-939167.5
] | [
-3.0313618183135986,
-20.27144432067871,
-11.135869979858398,
-20.69980239868164,
-3.195319414138794,
-5.652002334594727,
25.939388275146484,
40.665016174316406,
47.624473571777344,
12.097234725952148,
23.362993240356445,
-12.37720775604248,
22.46630859375,
8.48746395111084,
7.6741061210... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.1334999799728394,
-0.5348569750785828,
0.8417590260505676,
0.43266400694847107,
0.446397989988327,
0.9563639760017395,
-4.679426193237305,
7.121963977813721,
-1.657729983329773,
-4.124104022979736,
6.686410903930664,
-0.5925509929656982,
1.2949609756469727,
-2.844774007797241,
0.238300... | [
-636265.875
] | [
-14.800594329833984,
29.26325035095215,
5.9470014572143555,
12.61312198638916,
-22.763896942138672,
-0.9000998139381409,
-2.297614812850952,
-18.107580184936523,
-40.524803161621094,
-24.56945037841797,
27.350025177001953,
-59.72812271118164,
6.265203475952148,
-55.00469207763672,
-15.86... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-7.7233757972717285,
1.8116379976272583,
1.0894789695739746,
-7.138203144073486,
1.6842440366744995,
-1.0122510194778442,
-7.487515926361084,
-0.16514000296592712,
0.11679600179195404,
-2.08270001411438,
0.23982100188732147,
0.5778869986534119,
-4.960254192352295,
2.160742998123169,
1.31... | [
-939241.4375
] | [
7.9320220947265625,
-18.911623001098633,
-20.415836334228516,
-9.156492233276367,
-6.757479667663574,
0.8615713119506836,
4.037144184112549,
19.729080200195312,
-0.29277801513671875,
11.393229484558105,
-8.558480262756348,
-5.2064528465271,
-13.192782402038574,
6.314542293548584,
-7.0944... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
0.6195480227470398,
2.094244956970215,
0.21737700700759888,
0.5477859973907471,
1.025128960609436,
-0.37737101316452026,
0.2854430079460144,
-7.163167953491211,
-3.013158082962036,
-0.5437390208244324,
-6.624168872833252,
-2.18559193611145,
0.16961300373077393,
4.503339767456055,
0.48685... | [
-636267
] | [
7.252757549285889,
-41.040916442871094,
-24.9477481842041,
-0.3362158536911011,
60.43230438232422,
26.901517868041992,
18.179296493530273,
18.3675537109375,
-2.145940065383911,
34.164798736572266,
-22.59073829650879,
-53.12613296508789,
4.968670845031738,
-9.838077545166016,
5.3396005630... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
-0.3264800012111664,
0.4607880115509033,
1.6513350009918213,
0.4791780114173889,
0.07745300233364105,
0.8281700015068054,
6.475121021270752,
-2.5961339473724365,
-4.852527141571045,
6.299498081207275,
-1.4124579429626465,
-4.376380920410156,
-1.064782977104187,
0.7116230130195618,
3.9870... | [
-636261.0625
] | [
8.455042839050293,
-12.940946578979492,
-14.298067092895508,
-11.580389976501465,
10.31604290008545,
14.256345748901367,
-46.10581970214844,
-35.91343307495117,
34.89395523071289,
46.46637725830078,
-57.627281188964844,
-63.10940170288086,
-10.101996421813965,
7.852151393890381,
33.44705... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.2769160270690918,
1.4590040445327759,
-0.08707199990749359,
0.8302339911460876,
0.786628007888794,
0.8712679743766785,
-1.263929009437561,
-5.876504898071289,
6.003894805908203,
-1.6338169574737549,
-4.695069789886475,
5.7252631187438965,
2.804075002670288,
1.7624620199203491,
-1.93621... | [
-636212.0625
] | [
-57.2037239074707,
-42.6992301940918,
65.26225280761719,
65.09766387939453,
70.03244018554688,
-93.84872436523438,
57.09073257446289,
-53.57810592651367,
-27.288997650146484,
15.774502754211426,
-72.19674682617188,
12.275428771972656,
-22.993518829345703,
35.70139694213867,
14.7152385711... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
1.0859990119934082,
-3.3979430198669434,
6.415278911590576,
2.925118923187256,
-3.9932351112365723,
5.214069843292236,
1.1747829914093018,
-5.441135883331299,
5.528792858123779,
0.8992270231246948,
-1.738016963005066,
1.0331740379333496,
0.037383001297712326,
-4.234072208404541,
3.186521... | [
-939175.3125
] | [
29.683855056762695,
-18.437456130981445,
-28.765487670898438,
-23.59758949279785,
-7.891030788421631,
29.21982192993164,
30.52215003967285,
64.75820922851562,
-6.614813327789307,
21.539623260498047,
52.04056930541992,
-95.8079833984375,
11.115428924560547,
-24.87688446044922,
52.67416763... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-6.480841159820557,
3.666627883911133,
-1.413593053817749,
-6.104147911071777,
3.336786985397339,
0.8112239837646484,
-6.453864097595215,
1.5533839464187622,
-0.3099629878997803,
-1.236680030822754,
1.5524590015411377,
-0.25632399320602417,
-4.062808990478516,
2.5804080963134766,
-2.1248... | [
-939175.6875
] | [
-12.20998764038086,
-35.42695236206055,
40.04322814941406,
-10.932882308959961,
17.112043380737305,
-33.92438507080078,
-34.32944869995117,
32.17729568481445,
-24.499757766723633,
49.10800552368164,
-11.501448631286621,
-22.320898056030273,
-12.796995162963867,
-8.583098411560059,
40.746... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-3.293044090270996,
-5.256453990936279,
-3.411112070083618,
-2.4867990016937256,
-6.053651809692383,
-1.3724199533462524,
-4.620931148529053,
-5.6004509925842285,
-1.6675879955291748,
-1.4141730070114136,
-0.7112969756126404,
-1.1738749742507935,
-3.9815831184387207,
-3.1304728984832764,
... | [
-939236.625
] | [
7.343250274658203,
-23.679658889770508,
36.553096771240234,
-18.896900177001953,
1.9673079252243042,
-40.203224182128906,
28.375030517578125,
1.083474040031433,
-15.28869342803955,
1.6504909992218018,
35.665130615234375,
12.031124114990234,
9.063310623168945,
-3.0877630710601807,
3.60253... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-4.187085151672363,
-6.435013771057129,
-2.1234700679779053,
-5.334729194641113,
-4.928340911865234,
-3.3232479095458984,
-3.730665922164917,
-6.0362629890441895,
-4.2664690017700195,
-1.4701299667358398,
-2.1398680210113525,
-0.5217390060424805,
-1.931676983833313,
-4.0529890060424805,
... | [
-939226.125
] | [
-10.329828262329102,
12.364795684814453,
-26.912586212158203,
26.72217559814453,
-16.116540908813477,
15.002901077270508,
-3.3424062728881836,
-5.929358005523682,
12.298802375793457,
9.701302528381348,
27.012332916259766,
43.820743560791016,
-16.002588272094727,
-19.50014305114746,
-24.4... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.0381519794464111,
-0.9992889761924744,
0.297434002161026,
1.0348989963531494,
-0.1843010038137436,
1.1682469844818115,
-0.1458590030670166,
7.555524826049805,
4.969239234924316,
0.5635349750518799,
6.48760986328125,
5.241793155670166,
1.7620470523834229,
-1.2174140214920044,
-2.0340790... | [
-636228.625
] | [
7.12381649017334,
7.103473663330078,
-9.229233741760254,
-2.8616600036621094,
0.3086217939853668,
-11.63318157196045,
16.695072174072266,
-11.097716331481934,
-22.782508850097656,
-58.558921813964844,
81.63227081298828,
-21.22206687927246,
-25.680301666259766,
-6.217226505279541,
11.3498... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
0.9003819823265076,
2.6074869632720947,
0.8485959768295288,
1.6980830430984497,
1.6971290111541748,
0.9905970096588135,
4.8990888595581055,
-6.437733173370361,
0.6147059798240662,
4.2857561111450195,
-5.66615104675293,
1.4511419534683228,
-0.5761039853096008,
4.367170810699463,
1.4990350... | [
-636221.3125
] | [
14.847478866577148,
-53.56447219848633,
-9.226798057556152,
-20.12668800354004,
35.57189178466797,
19.700510025024414,
17.885343551635742,
18.058563232421875,
-17.924901962280273,
46.44245910644531,
-71.96600341796875,
-73.89845275878906,
-8.386645317077637,
1.376305341720581,
-16.676258... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
-0.8357319831848145,
0.2606010138988495,
-0.019162999466061592,
0.31993600726127625,
0.4701929986476898,
-0.2925240099430084,
8.883160591125488,
1.8094890117645264,
-0.8126639723777771,
8.209927558898926,
0.9821419715881348,
-0.09645199775695801,
-2.1525819301605225,
0.9804059863090515,
... | [
-636216.375
] | [
12.42363166809082,
6.428708076477051,
3.8260490894317627,
-24.086284637451172,
-4.529725074768066,
12.043953895568848,
-28.853408813476562,
19.693843841552734,
-21.54164695739746,
84.80296325683594,
16.836652755737305,
4.2133073806762695,
44.692832946777344,
17.435300827026367,
-5.295985... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-3.305255889892578,
-5.475092887878418,
-3.403917074203491,
-2.8977930545806885,
-6.098836898803711,
-1.3194810152053833,
-4.973730087280273,
-5.4814558029174805,
-1.750910997390747,
-1.5002549886703491,
-0.9417250156402588,
-1.3531320095062256,
-4.350372791290283,
-2.952786922454834,
-0... | [
-939178.3125
] | [
-27.736949920654297,
-16.724212646484375,
38.52851486206055,
-3.8601925373077393,
-24.34659194946289,
-11.75144100189209,
4.715950965881348,
-51.13455581665039,
-32.81012725830078,
19.4945011138916,
25.0540714263916,
-1.3252830505371094,
-17.02204704284668,
-32.98007583618164,
-23.413524... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
0.49463701248168945,
2.1000730991363525,
0.858331024646759,
1.1783030033111572,
1.1831860542297363,
0.5095540285110474,
5.735167980194092,
-5.115981101989746,
-3.6548190116882324,
4.7938551902771,
-4.81777811050415,
-2.854710102081299,
-1.0147759914398193,
3.938163995742798,
0.6492589712... | [
-636199.5
] | [
-21.013023376464844,
-11.934525489807129,
27.93773078918457,
19.95070457458496,
-18.7723445892334,
-23.423187255859375,
19.35708999633789,
24.780546188354492,
-1.8876930475234985,
-10.709243774414062,
-87.93437194824219,
-41.82775115966797,
-7.017882347106934,
32.39419174194336,
-20.6773... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
2.9841790199279785,
6.000939846038818,
2.8030240535736084,
2.5645558834075928,
4.282182216644287,
4.356620788574219,
4.300025939941406,
4.3562421798706055,
3.0307719707489014,
1.6103520393371582,
1.191236972808838,
-0.0881659984588623,
1.2704739570617676,
4.363953113555908,
1.05273103713... | [
-939170.625
] | [
-21.253374099731445,
-40.39252853393555,
31.25385284423828,
11.303524017333984,
28.976070404052734,
-30.78089714050293,
3.2812960147857666,
-14.32698917388916,
8.86429214477539,
-28.604503631591797,
-39.657039642333984,
-61.515594482421875,
52.407630920410156,
60.08595657348633,
64.61972... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-3.1890430450439453,
-6.29243278503418,
-2.966012954711914,
-4.23225212097168,
-6.103891849517822,
-1.1049929857254028,
-5.202058792114258,
-5.23230504989624,
-2.8084540367126465,
-1.4728820323944092,
-1.5284769535064697,
-0.6203600168228149,
-3.558619976043701,
-3.140623092651367,
-2.97... | [
-939192.0625
] | [
-19.635498046875,
-8.050450325012207,
-2.782057046890259,
-3.39522385597229,
-20.537479400634766,
40.767967224121094,
32.98060989379883,
-22.595840454101562,
4.311881065368652,
48.28013610839844,
13.916611671447754,
33.9231071472168,
0.9617139101028442,
-7.014819145202637,
11.36243152618... |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-7.487745761871338,
2.0388989448547363,
-0.19663099944591522,
-6.740462779998779,
2.776526927947998,
-2.0063650608062744,
-7.055613040924072,
0.4094560146331787,
-1.509719967842102,
-1.9324129819869995,
0.4386419951915741,
-0.001069999998435378,
-4.801624774932861,
2.3351919651031494,
0.... | [
-939181.25
] | [
22.69437026977539,
-4.2785539627075195,
13.882305145263672,
19.56116485595703,
-58.548858642578125,
2.127615451812744,
31.651670455932617,
62.782161712646484,
-15.41002082824707,
66.32744598388672,
-61.662479400634766,
-15.494697570800781,
40.9448127746582,
-49.2470703125,
7.867056846618... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
0.08699099719524384,
0.04983000084757805,
-0.7735490202903748,
0.2804569900035858,
-0.1464100033044815,
0.401091992855072,
-0.1188569962978363,
1.3008209466934204,
9.084269523620605,
0.32111799716949463,
0.3666149973869324,
8.29018497467041,
-0.8255370259284973,
-0.5201770067214966,
-3.0... | [
-636270.125
] | [
-0.39310798048973083,
-7.145484924316406,
5.442427635192871,
1.394258737564087,
-6.305781364440918,
-4.153510093688965,
-2.4979593753814697,
6.740808963775635,
-23.547603607177734,
-21.693645477294922,
46.86677169799805,
52.000038146972656,
-10.520515441894531,
-1.7310888767242432,
-13.2... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.220744013786316,
-0.8201749920845032,
0.4149540066719055,
0.8446789979934692,
0.059881001710891724,
1.185302972793579,
-1.6382910013198853,
7.3568267822265625,
5.068843841552734,
-2.402111053466797,
6.413822174072266,
4.623027801513672,
2.0648980140686035,
-3.048830032348633,
0.0561169... | [
-636220.4375
] | [
-26.888256072998047,
42.08872604370117,
31.759714126586914,
18.32940101623535,
-38.16703414916992,
-35.324012756347656,
48.46276092529297,
-43.32968521118164,
-4.981015205383301,
-17.661083221435547,
80.8043212890625,
14.908021926879883,
20.861936569213867,
-90.37356567382812,
-2.8702158... |
[C:3](#[P:2])[F:1] | [
0.8819400072097778,
1.1005350351333618,
0.3485189974308014,
-1.1051310300827026,
-1.154060959815979,
-0.3554709851741791,
0.22319099307060242,
0.05352599918842316,
0.006951000075787306
] | [
-300689.4375
] | [
-5.18234395980835,
-19.01690101623535,
-6.579782962799072,
140.03982543945312,
121.96442413330078,
36.282012939453125,
-134.85748291015625,
-102.94752502441406,
-29.70223045349121
] |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
-0.8737859725952148,
1.3356850147247314,
1.11188805103302,
0.3485890030860901,
1.3549280166625977,
0.9891660213470459,
8.83320140838623,
-0.6756340265274048,
0.009414000436663628,
8.299640655517578,
0.4054409861564636,
0.15085600316524506,
-2.9355928897857666,
1.0548449754714966,
2.41681... | [
-636224.3125
] | [
55.98793029785156,
1.211472749710083,
-11.799394607543945,
-75.90447998046875,
-19.24576187133789,
-5.281019687652588,
55.05424499511719,
-102.75743103027344,
-14.066192626953125,
-51.901424407958984,
73.7921142578125,
-16.05789566040039,
55.47135925292969,
23.147226333618164,
-18.143972... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.2783429622650146,
1.6414719820022583,
1.0956259965896606,
1.2469370365142822,
0.8232430219650269,
0.20858299732208252,
-1.599810004234314,
-5.966854095458984,
-4.50797176361084,
-1.5777629613876343,
-4.70900297164917,
-4.785171031951904,
-0.022787999361753464,
3.1640679836273193,
2.304... | [
-636209.25
] | [
9.546284675598145,
-20.39341163635254,
-8.762518882751465,
1.732424020767212,
-10.41846752166748,
13.27176570892334,
-6.246224403381348,
7.205238342285156,
14.729372024536133,
-22.778034210205078,
-70.70624542236328,
-75.76526641845703,
-10.997001647949219,
54.165000915527344,
50.2441482... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.5644299983978271,
1.88257896900177,
0.6825389862060547,
1.0479400157928467,
1.103855013847351,
1.4571919441223145,
-1.7139999866485596,
-6.128641128540039,
5.472720146179199,
-2.036573886871338,
-5.649722099304199,
4.305779933929443,
3.248889923095703,
2.5584449768066406,
-1.0668829679... | [
-636224.6875
] | [
-1.6147478818893433,
-16.9486026763916,
14.534098625183105,
17.577621459960938,
7.087583541870117,
-18.99500274658203,
11.36175537109375,
26.112464904785156,
1.7004637718200684,
2.997494697570801,
-96.26206970214844,
70.89737701416016,
15.759199142456055,
-38.340030670166016,
51.88657760... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.239698052406311,
1.3215069770812988,
1.9417200088500977,
0.21569299697875977,
1.386849045753479,
1.2279419898986816,
-5.117211818695068,
-0.16151000559329987,
-5.221347808837891,
-5.4570770263671875,
0.459214985370636,
-4.1578288078308105,
2.331334114074707,
0.9117180109024048,
4.08159... | [
-636197.125
] | [
-88.21737670898438,
-8.538679122924805,
-61.115333557128906,
90.07573699951172,
-19.65977668762207,
31.4056453704834,
53.62014389038086,
-36.6635856628418,
-17.892812728881836,
-20.51386833190918,
5.0814104080200195,
-84.76368713378906,
-12.963279724121094,
8.356592178344727,
19.14227676... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
0.6696109771728516,
-0.2661829888820648,
-0.540336012840271,
0.6445090174674988,
0.5637450218200684,
0.3494040071964264,
0.5536310076713562,
7.864508152008057,
5.4083662033081055,
0.8934230208396912,
6.618933200836182,
5.499965190887451,
1.4532769918441772,
-1.1619529724121094,
-2.675081... | [
-636264.1875
] | [
-5.4542670249938965,
33.33499526977539,
30.283382415771484,
9.953953742980957,
-14.290533065795898,
-27.660966873168945,
-1.985142707824707,
1.6141371726989746,
-2.781738042831421,
-23.9506778717041,
76.8147201538086,
-43.691139221191406,
11.316493034362793,
-18.990983963012695,
-33.1942... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.0817610025405884,
-0.7057049870491028,
0.2729969918727875,
0.6790159940719604,
0.45555201172828674,
0.028787000104784966,
-3.372926950454712,
8.471386909484863,
0.17886799573898315,
-2.262969970703125,
7.934901237487793,
-0.2049960047006607,
1.7106670141220093,
-2.8297998905181885,
-0.... | [
-636261.1875
] | [
-24.118314743041992,
79.58557891845703,
-24.515846252441406,
33.38848876953125,
-108.90420532226562,
31.612958908081055,
3.962559700012207,
-6.835370063781738,
9.708123207092285,
-51.83340835571289,
35.143470764160156,
6.146574020385742,
20.911401748657227,
-36.95079803466797,
-9.5755424... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.2335059642791748,
1.0560439825057983,
-0.9490540027618408,
0.3995389938354492,
0.25248101353645325,
-0.5645440220832825,
-5.617659091949463,
-3.497788906097412,
4.713572978973389,
-4.809974193572998,
-3.829521894454956,
3.771008014678955,
2.9570419788360596,
1.809689998626709,
-2.53905... | [
-636263.4375
] | [
-35.46366882324219,
-33.681278228759766,
11.677910804748535,
23.67253303527832,
19.44236946105957,
-11.508222579956055,
14.33431625366211,
53.8081169128418,
10.005243301391602,
-71.87326049804688,
-49.15309524536133,
53.817081451416016,
-7.946226119995117,
-20.760133743286133,
-13.182233... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
0.6161919832229614,
1.576954960823059,
1.257038950920105,
0.6255049705505371,
0.5091429948806763,
0.7389860153198242,
-0.0032130000181496143,
-6.733456134796143,
-3.8763020038604736,
-0.8722620010375977,
-6.30436897277832,
-2.9750940799713135,
0.1457040011882782,
3.9967000484466553,
0.68... | [
-636216.1875
] | [
-0.3610588014125824,
67.9922103881836,
2.812074899673462,
-3.0051419734954834,
-12.774757385253906,
2.12896728515625,
19.157838821411133,
32.107086181640625,
15.332636833190918,
90.67455291748047,
-47.23298263549805,
-83.7366714477539,
34.332157135009766,
-50.374656677246094,
65.76086425... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
-0.3588460087776184,
1.0041429996490479,
-0.43938499689102173,
0.1373250037431717,
1.3135520219802856,
0.6417959928512573,
4.422214984893799,
1.381392002105713,
8.219500541687012,
4.030910968780518,
0.4208979904651642,
7.508975982666016,
-0.9004790186882019,
-0.7774140238761902,
-2.03384... | [
-636200.0625
] | [
26.657474517822266,
22.919815063476562,
49.426963806152344,
-17.626188278198242,
-28.362754821777344,
-35.709041595458984,
7.59472131729126,
112.89005279541016,
-46.66001510620117,
14.013876914978027,
-27.036346435546875,
81.5408935546875,
-31.666017532348633,
-18.604211807250977,
-60.93... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.8119570016860962,
-0.654358983039856,
-0.14825500547885895,
0.7426310181617737,
-0.5267069935798645,
-0.7057340145111084,
-7.434453010559082,
2.402981996536255,
0.8365709781646729,
-6.82706880569458,
1.6207059621810913,
-0.03348800167441368,
3.803908109664917,
-1.8147430419921875,
0.74... | [
-636197.1875
] | [
-31.659521102905273,
-2.253157138824463,
-24.869638442993164,
46.68622970581055,
-13.225422859191895,
18.780588150024414,
81.66490173339844,
-5.576581954956055,
38.48811721801758,
30.204748153686523,
72.9258804321289,
76.34334564208984,
30.80653190612793,
10.214118003845215,
61.080795288... |
[C:3](#[P:2])[F:1] | [
-0.6292979717254639,
-0.9727939963340759,
0.9688230156898499,
0.723285973072052,
1.068585991859436,
-1.0588120222091675,
-0.09398700296878815,
-0.09579099714756012,
0.08998999744653702
] | [
-300687.28125
] | [
30.926782608032227,
52.277000427246094,
-52.55244445800781,
-87.89047241210938,
-124.15975189208984,
122.37480926513672,
56.963687896728516,
71.88275146484375,
-69.8223648071289
] |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.454990029335022,
0.22283899784088135,
-0.26594099402427673,
0.7278910279273987,
0.1446170061826706,
0.7174429893493652,
-4.967484951019287,
-0.017033999785780907,
7.075479030609131,
-5.082474231719971,
0.62260901927948,
5.983651161193848,
1.726912021636963,
-0.3370540142059326,
-2.6591... | [
-636267.9375
] | [
-42.771183013916016,
-6.836556911468506,
40.02989959716797,
45.776371002197266,
12.05578327178955,
-66.65630340576172,
25.782739639282227,
-24.17546844482422,
27.689273834228516,
11.015767097473145,
-36.78725051879883,
45.088871002197266,
17.192428588867188,
3.7040176391601562,
-5.481195... |
[C:3](#[P:2])[F:1] | [
1.065229058265686,
0.9047889709472656,
0.6009309887886047,
-1.183256983757019,
-1.0054889917373657,
-0.6584429740905762,
0.11802799999713898,
0.1006999984383583,
0.05751200020313263
] | [
-300682.375
] | [
-58.33293533325195,
-49.50931930541992,
-33.708683013916016,
139.32884216308594,
118.44682312011719,
76.47920227050781,
-80.99589538574219,
-68.9375,
-42.77052307128906
] |
[C:3](#[P:2])[F:1] | [
-0.22036199271678925,
0.6450549960136414,
1.326841950416565,
0.2648549973964691,
-0.689221978187561,
-1.497406005859375,
-0.04449300095438957,
0.04416700080037117,
0.1705629974603653
] | [
-300685.90625
] | [
6.496245384216309,
-25.245981216430664,
-46.161373138427734,
-33.285728454589844,
77.16922760009766,
177.49916076660156,
26.78948402404785,
-51.923240661621094,
-131.33779907226562
] |
[C:3](#[P:2])[F:1] | [
0.5705879926681519,
0.4010060131549835,
1.351032018661499,
-0.654030978679657,
-0.4972279965877533,
-1.4772160053253174,
0.08344300091266632,
0.09622199833393097,
0.12618400156497955
] | [
-300680.53125
] | [
-28.800167083740234,
-17.003673553466797,
-74.33451843261719,
78.91242980957031,
64.16842651367188,
170.29693603515625,
-50.11226272583008,
-47.16474914550781,
-95.96241760253906
] |
[C:3](#[P:2])[F:1] | [
-0.9989290237426758,
0.4517579972743988,
1.0307669639587402,
1.1262569427490234,
-0.4949769973754883,
-1.1295909881591797,
-0.12732799351215363,
0.04321900010108948,
0.09882500022649765
] | [
-300686.8125
] | [
46.39933395385742,
-22.20453643798828,
-50.646583557128906,
-134.1985321044922,
57.29325485229492,
130.78509521484375,
87.79920196533203,
-35.08871841430664,
-80.13851165771484
] |
[C:3](#[P:2])[F:1] | [
0.4618760049343109,
0.08129899948835373,
1.444993019104004,
-0.485709011554718,
-0.10063499957323074,
-1.6163159608840942,
0.023833999410271645,
0.019336000084877014,
0.1713230013847351
] | [
-300680.84375
] | [
-26.308168411254883,
-3.352358818054199,
-74.1328353881836,
53.830406188964844,
12.991705894470215,
190.88943481445312,
-27.52223777770996,
-9.639347076416016,
-116.75659942626953
] |
[C:3](#[P:2])[F:1] | [
1.1353989839553833,
0.935742974281311,
-0.4171450138092041,
-1.299178957939148,
-0.9296479821205139,
0.4474180042743683,
0.16378000378608704,
-0.006095000077039003,
-0.030274000018835068
] | [
-300688.0625
] | [
-72.56033325195312,
-74.98564910888672,
29.879173278808594,
155.07571411132812,
94.80480194091797,
-49.98326110839844,
-82.51538848876953,
-19.819156646728516,
20.10409164428711
] |
[C:3](#[P:2])[F:1] | [
0.4179059863090515,
0.09213899821043015,
1.3811659812927246,
-0.43879199028015137,
-0.11070500314235687,
-1.5588970184326172,
0.020885000005364418,
0.01856599934399128,
0.1777310073375702
] | [
-300696.375
] | [
-3.0544023513793945,
0.03809094429016113,
-4.5551300048828125,
46.86056137084961,
13.698739051818848,
181.1060028076172,
-43.806156158447266,
-13.73682975769043,
-176.55087280273438
] |
[C:3](#[P:2])[F:1] | [
0.5659729838371277,
1.2935630083084106,
0.5717840194702148,
-0.6157730221748352,
-1.4197440147399902,
-0.6412910223007202,
0.049800001084804535,
0.1261810064315796,
0.06950700283050537
] | [
-300685.90625
] | [
-34.939414978027344,
-78.66909790039062,
-33.45009231567383,
71.1222152709961,
165.47030639648438,
76.38065338134766,
-36.18280029296875,
-86.80121612548828,
-42.93056106567383
] |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.5465589761734009,
1.0807470083236694,
-0.2452159970998764,
0.7628660202026367,
1.158911943435669,
0.695592999458313,
-6.242599010467529,
1.048717975616455,
5.329174995422363,
-5.016201019287109,
0.831121027469635,
5.727069854736328,
2.5029850006103516,
2.0564448833465576,
-2.2667789459... | [
-636226.3125
] | [
-34.77027893066406,
-0.1597929447889328,
44.78172302246094,
43.73470687866211,
-3.5367443561553955,
-48.41148376464844,
-6.93823766708374,
-9.80417537689209,
0.6549953818321228,
-160.46188354492188,
18.071914672851562,
21.07986068725586,
21.7239933013916,
-36.50925064086914,
-14.69503498... |
[C:3](#[P:2])[F:1] | [
-0.6006140112876892,
-1.1444499492645264,
0.8030200004577637,
0.6870229840278625,
1.2428749799728394,
-0.9058679938316345,
-0.08640900254249573,
-0.0984250009059906,
0.10284800082445145
] | [
-300682.8125
] | [
31.76654624938965,
66.50177001953125,
-43.62032699584961,
-83.17472076416016,
-142.99900817871094,
108.24098205566406,
51.40817642211914,
76.49724578857422,
-64.62065887451172
] |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
0.26452401280403137,
1.9233440160751343,
-0.18541200459003448,
-0.153548002243042,
0.7432609796524048,
-0.19550199806690216,
-3.2324869632720947,
-6.618237018585205,
2.9754550457000732,
-2.247452974319458,
-6.381435871124268,
2.1766068935394287,
0.40783900022506714,
4.131758213043213,
0.... | [
-636214.1875
] | [
-29.364957809448242,
-95.46469116210938,
4.888868808746338,
22.445219039916992,
103.44894409179688,
-21.824260711669922,
6.511163234710693,
38.574317932128906,
-0.5629021525382996,
-23.252843856811523,
-73.97665405273438,
16.82317352294922,
-33.91326904296875,
16.521665573120117,
37.3416... |
[C:3](#[P:2])[F:1] | [
0.030939999967813492,
0.9788479804992676,
1.1451669931411743,
-0.1908780038356781,
-1.0547120571136475,
-1.3209830522537231,
0.1599379926919937,
0.07586400210857391,
0.17581699788570404
] | [
-300672.3125
] | [
9.766043663024902,
-45.04998016357422,
-46.516441345214844,
38.2551155090332,
114.7280044555664,
153.36007690429688,
-48.02116012573242,
-69.67802429199219,
-106.84363555908203
] |
[C:3](#[P:2])[F:1] | [
-0.7929080128669739,
-0.8166120052337646,
-1.0009020566940308,
0.8931229710578918,
0.9131900072097778,
1.1196269989013672,
-0.10021399706602097,
-0.09657900035381317,
-0.1187250018119812
] | [
-300678.28125
] | [
35.46502685546875,
37.02848815917969,
45.35940170288086,
-105.4535903930664,
-107.08283996582031,
-131.33055114746094,
69.98856353759766,
70.05435180664062,
85.97115325927734
] |
[H:33][c:18]1[c:19]([c:21]([c:23]([c:22]([c:20]1[H:35])[H:37])[C:14]2=[C:15]([N:25]([C:11](=[N:6]2)[C:29]([H:44])([H:45])[O:8][C:9]3=[N:4][N:24]4[C:16](=[C:17]([N:5]=[C:10]4[C:13](=[C:12]3[H:31])[O:7][C:26]([H:38])([H:39])[H:40])[C:28]([F:1])([F:2])[F:3])[C:27]([H:41])([H:42])[H:43])[C:30]([H:46])([H:47])[H:48])[H:32])... | [
-3.934051990509033,
-6.416053771972656,
-2.796381950378418,
-4.833911895751953,
-4.656953811645508,
-3.4037981033325195,
-3.4253830909729004,
-5.779476165771484,
-4.658474922180176,
-1.3257440328598022,
-1.939149022102356,
-0.5861619710922241,
-1.596763014793396,
-3.893817901611328,
-3.6... | [
-939178.75
] | [
5.660311698913574,
-22.694013595581055,
42.55754089355469,
-27.140195846557617,
30.250322341918945,
-20.80233383178711,
5.847133159637451,
21.21247673034668,
-48.0850715637207,
-31.613855361938477,
-74.47244262695312,
-29.38571548461914,
-4.717582702636719,
34.582889556884766,
49.8001441... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.4540170431137085,
-0.9308689832687378,
-0.2570059895515442,
0.6432629823684692,
-0.7697629928588867,
0.6360620260238647,
-4.966416835784912,
0.6871309876441956,
6.7838897705078125,
-4.616383075714111,
1.5421550273895264,
5.997714996337891,
3.2476580142974854,
-1.8701430559158325,
-1.67... | [
-636226.125
] | [
-25.683164596557617,
8.685311317443848,
48.372196197509766,
46.01298904418945,
-7.378949165344238,
-39.49983215332031,
-60.5145149230957,
-51.43833541870117,
74.07030487060547,
38.867149353027344,
33.75991439819336,
-21.01974105834961,
36.20594024658203,
14.006516456604004,
-42.278190612... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
0.5631160140037537,
1.4323049783706665,
1.7479130029678345,
0.9110609889030457,
1.2498079538345337,
0.59340500831604,
3.56005597114563,
-0.9889000058174133,
-7.231695175170898,
2.5004940032958984,
-1.471336007118225,
-6.691504001617432,
1.2616970539093018,
2.0496180057525635,
3.975845098... | [
-636255.25
] | [
19.326417922973633,
-7.352276802062988,
-53.65204620361328,
-0.8831532597541809,
-1.2446211576461792,
24.49638557434082,
33.740169525146484,
55.41245651245117,
61.697113037109375,
58.995399475097656,
-5.015560626983643,
-65.94915771484375,
23.205223083496094,
12.419280052185059,
28.43817... |
[C:3](#[P:2])[F:1] | [
-0.17072999477386475,
1.2138229608535767,
0.8784220218658447,
0.239764004945755,
-1.3428970575332642,
-0.9411230087280273,
-0.06903400272130966,
0.12907299399375916,
0.06270100176334381
] | [
-300690.375
] | [
4.619566440582275,
-67.58885192871094,
-51.8601188659668,
-34.040096282958984,
156.25132751464844,
105.80162048339844,
29.4205322265625,
-88.6624755859375,
-53.941505432128906
] |
[C:3](#[P:2])[F:1] | [
-1.2082090377807617,
-0.09989599883556366,
-0.9543889760971069,
1.2942019701004028,
0.17003099620342255,
1.022879958152771,
-0.0859920009970665,
-0.07013499736785889,
-0.06849099695682526
] | [
-300689.34375
] | [
92.7321548461914,
0.5254645943641663,
73.18444061279297,
-144.17605590820312,
-26.66551971435547,
-114.01935577392578,
51.44389343261719,
26.14005470275879,
40.83491897583008
] |
[C:3](#[P:2])[F:1] | [
-1.3310120105743408,
0.8221499919891357,
0.0948060005903244,
1.4744319915771484,
-0.9402080178260803,
-0.07823699712753296,
-0.14341899752616882,
0.11805900186300278,
-0.016568999737501144
] | [
-300663.15625
] | [
87.05941009521484,
-51.241790771484375,
-8.503559112548828,
-167.6672821044922,
109.94930267333984,
6.147106647491455,
80.60786437988281,
-58.707515716552734,
2.3564541339874268
] |
[C:3](#[P:2])[F:1] | [
0.8145380020141602,
0.3446269929409027,
1.23477303981781,
-0.8419010043144226,
-0.45034798979759216,
-1.3961169719696045,
0.027363000437617302,
0.10572099685668945,
0.1613440066576004
] | [
-300679.15625
] | [
-48.53378677368164,
-12.549246788024902,
-63.40052795410156,
90.78746795654297,
60.05414581298828,
165.18109130859375,
-42.25368118286133,
-47.50490188598633,
-101.78056335449219
] |
[C:3](#[P:2])[F:1] | [
-1.2477420568466187,
0.24521000683307648,
0.7669039964675903,
1.3821669816970825,
-0.2676529884338379,
-0.7769610285758972,
-0.13442499935626984,
0.022443000227212906,
0.010057000443339348
] | [
-300703.75
] | [
68.1717300415039,
-13.8289213180542,
-49.746559143066406,
-150.3204803466797,
28.617359161376953,
75.50850677490234,
82.14875030517578,
-14.788437843322754,
-25.76194953918457
] |
[C:3](#[P:2])[F:1] | [
-1.309522032737732,
0.49946901202201843,
-0.5572100281715393,
1.4751349687576294,
-0.5249130129814148,
0.5929359793663025,
-0.16561299562454224,
0.025443999096751213,
-0.03572700172662735
] | [
-300685.40625
] | [
63.011985778808594,
-27.267187118530273,
29.783798217773438,
-175.49240112304688,
58.06250762939453,
-66.5013427734375,
112.48041534423828,
-30.79532241821289,
36.71754837036133
] |
[C:3](#[P:2])[F:1] | [
1.326796054840088,
0.6701869964599609,
-0.23242899775505066,
-1.4772640466690063,
-0.7401480078697205,
0.20918600261211395,
0.15046900510787964,
0.06996099650859833,
0.023243000730872154
] | [
-300687.9375
] | [
-65.66059875488281,
-33.69687271118164,
15.873478889465332,
173.5253448486328,
86.22512817382812,
-18.66364288330078,
-107.86474609375,
-52.52825164794922,
2.790163278579712
] |
[C:3](#[P:2])[F:1] | [
0.8288999795913696,
-1.1736390590667725,
-0.43213799595832825,
-0.941074013710022,
1.2881959676742554,
0.5009059906005859,
0.11217399686574936,
-0.11455699801445007,
-0.0687670037150383
] | [
-300685.8125
] | [
-34.310447692871094,
52.10879135131836,
17.066776275634766,
112.62161254882812,
-149.03518676757812,
-61.14031982421875,
-78.31116485595703,
96.9263916015625,
44.073543548583984
] |
[C:3](#[P:2])[F:1] | [
0.2826539874076843,
1.0433119535446167,
-1.0895949602127075,
-0.2915709912776947,
-1.1555750370025635,
1.2075419425964355,
0.008917000144720078,
0.11226300150156021,
-0.11794699728488922
] | [
-300679.5
] | [
-19.2181453704834,
-63.59292221069336,
66.3486099243164,
31.818025588989258,
135.85614013671875,
-142.0472869873047,
-12.599881172180176,
-72.26321411132812,
75.69866943359375
] |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
0.8079119920730591,
-0.8394590020179749,
0.5477820038795471,
0.1994370073080063,
0.21455399692058563,
0.3792420029640198,
-3.3243579864501953,
8.126615524291992,
-0.9864230155944824,
-3.7540760040283203,
6.9934258460998535,
-0.39650601148605347,
1.2439550161361694,
-3.2980010509490967,
0... | [
-636227.0625
] | [
-27.647567749023438,
57.117942810058594,
-18.664989471435547,
27.112316131591797,
-25.762657165527344,
10.7347412109375,
1.5608986616134644,
-60.567848205566406,
-12.176592826843262,
71.57706451416016,
122.86041259765625,
-69.69702911376953,
21.162227630615234,
52.23214340209961,
19.7940... |
[C:3](#[P:2])[F:1] | [
0.5241439938545227,
-0.2105560004711151,
-1.37990403175354,
-0.5733069777488708,
0.22743099927902222,
1.522894024848938,
0.04916299879550934,
-0.016874000430107117,
-0.14298999309539795
] | [
-300694.75
] | [
-25.1773738861084,
10.373841285705566,
65.05199432373047,
65.47100830078125,
-25.6162109375,
-175.6110382080078,
-40.293636322021484,
15.242369651794434,
110.55904388427734
] |
[C:3](#[P:2])[F:1] | [
-1.472661018371582,
0.19299699366092682,
-0.11098799854516983,
1.627545952796936,
-0.15148000419139862,
0.09830299764871597,
-0.15488499402999878,
-0.041517000645399094,
0.012684999965131283
] | [
-300695.53125
] | [
71.55815887451172,
-15.15273666381836,
7.66868782043457,
-186.427001953125,
9.71419620513916,
-8.249652862548828,
114.86884307861328,
5.438540458679199,
0.5809645652770996
] |
[C:3](#[P:2])[F:1] | [
-1.335934042930603,
0.5464900135993958,
0.39934301376342773,
1.3773789405822754,
-0.7446630001068115,
-0.3939499855041504,
-0.04144499823451042,
0.19817300140857697,
-0.005392999853938818
] | [
-300696.5625
] | [
96.04741668701172,
-18.851842880249023,
-30.71717071533203,
-136.70030212402344,
97.22445678710938,
36.80955123901367,
40.65288162231445,
-78.37261199951172,
-6.092378616333008
] |
[C:3](#[P:2])[F:1] | [
0.6005520224571228,
-1.199036955833435,
0.7063760161399841,
-0.6757410168647766,
1.328766942024231,
-0.7533479928970337,
0.0751890018582344,
-0.1297300010919571,
0.04697199910879135
] | [
-300687.125
] | [
-32.88998794555664,
67.57518768310547,
-42.571163177490234,
80.54772186279297,
-155.99827575683594,
84.93700408935547,
-47.657737731933594,
88.42308807373047,
-42.365840911865234
] |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.4320069551467896,
-0.69964998960495,
-0.39660701155662537,
0.759784996509552,
0.352061003446579,
-0.6144239902496338,
-2.722071886062622,
8.523871421813965,
0.9314680099487305,
-1.7683969736099243,
7.947177886962891,
0.21770399808883667,
3.168992042541504,
-2.3775200843811035,
-0.24315... | [
-636214
] | [
-80.21694946289062,
91.89984893798828,
-10.146998405456543,
70.87458038330078,
-127.54821014404297,
37.72843551635742,
24.105295181274414,
-31.785459518432617,
-22.793920516967773,
-48.16162872314453,
58.953697204589844,
37.651527404785156,
9.810850143432617,
-71.165283203125,
39.6279258... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.198768973350525,
0.4739069938659668,
2.375108003616333,
1.8459839820861816,
0.3304530084133148,
1.3581730127334595,
3.248533010482788,
1.4095419645309448,
-6.992584228515625,
2.8991808891296387,
0.27731698751449585,
-6.508790969848633,
0.9485139846801758,
0.534483015537262,
4.806465148... | [
-636225.125
] | [
19.70751953125,
-6.597284317016602,
-19.29819107055664,
-28.906673431396484,
-15.626930236816406,
0.2639104127883911,
-8.865310668945312,
47.438358306884766,
61.557281494140625,
45.0664176940918,
50.2352409362793,
-31.207672119140625,
3.716332197189331,
-8.551430702209473,
42.05501556396... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
-0.5678300261497498,
1.0737940073013306,
1.0874450206756592,
0.204817995429039,
0.22632400691509247,
0.6815699934959412,
5.555592060089111,
-4.395175933837891,
-4.606052875518799,
5.486440181732178,
-4.1094069480896,
-3.3713269233703613,
-1.6183840036392212,
3.216681957244873,
0.73506599... | [
-636263.875
] | [
32.02479934692383,
-27.896116256713867,
-1.3767927885055542,
-17.47861671447754,
12.945481300354004,
2.3894636631011963,
-49.8768310546875,
24.59326171875,
-36.97806167602539,
61.61904525756836,
-39.50106430053711,
-38.19601821899414,
2.510529041290283,
0.07454545050859451,
-30.297969818... |
[C:3](#[P:2])[F:1] | [
-1.1500329971313477,
-0.08210799843072891,
-0.9791640043258667,
1.2707370519638062,
0.13986699283123016,
1.0950180292129517,
-0.12070400267839432,
-0.05775799974799156,
-0.11585400253534317
] | [
-300682.65625
] | [
57.8306999206543,
0.009771165437996387,
48.13559341430664,
-148.12510681152344,
-22.041706085205078,
-129.1688690185547,
90.2944107055664,
22.03193473815918,
81.03327178955078
] |
[C:3](#[P:2])[F:1] | [
-0.7106310129165649,
-1.270751953125,
0.48239201307296753,
0.7423449754714966,
1.3768659830093384,
-0.6475690007209778,
-0.031713999807834625,
-0.10611400008201599,
0.16517700254917145
] | [
-300677.6875
] | [
49.19926834106445,
83.30262756347656,
-19.80043601989746,
-81.0908203125,
-156.31964111328125,
87.94041442871094,
31.891550064086914,
73.01701354980469,
-68.13997650146484
] |
[C:3](#[P:2])[F:1] | [
0.43504899740219116,
0.3503980040550232,
1.3990639448165894,
-0.48970600962638855,
-0.3723219931125641,
-1.5508830547332764,
0.05465700104832649,
0.02192400023341179,
0.15181900560855865
] | [
-300687.46875
] | [
-21.095029830932617,
-18.930400848388672,
-69.9463882446289,
58.29916763305664,
41.72595977783203,
181.81759643554688,
-37.20413589477539,
-22.795560836791992,
-111.87120819091797
] |
[C:3](#[P:2])[F:1] | [
0.1719910055398941,
0.2077600061893463,
-1.4976270198822021,
-0.1422010064125061,
-0.2546910047531128,
1.6634479761123657,
-0.029789999127388,
0.04693099856376648,
-0.16582100093364716
] | [
-300681.15625
] | [
-13.718476295471191,
-9.290325164794922,
82.11555480957031,
11.063846588134766,
32.63969421386719,
-195.18792724609375,
2.654629945755005,
-23.349367141723633,
113.07237243652344
] |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]/[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
-0.6595820188522339,
1.1919569969177246,
-0.28278300166130066,
0.41415300965309143,
0.6532359719276428,
-0.2719520032405853,
7.940279960632324,
-3.268151044845581,
0.7358120083808899,
7.867041110992432,
-2.006171941757202,
0.730443000793457,
-2.3056640625,
3.0242199897766113,
-0.60579001... | [
-636262.3125
] | [
-3.574740409851074,
-5.850428104400635,
4.13330602645874,
0.1015845462679863,
3.1219775676727295,
11.68148136138916,
-38.996456146240234,
-42.85343551635742,
-1.3027098178863525,
9.730496406555176,
-57.738101959228516,
-0.1484837681055069,
2.087245464324951,
-25.527935028076172,
13.61146... |
[H:31][c:9]1[c:16]([c:20]2[c:18]([c:12]([c:8]([c:15]([c:19]2[c:17]([c:11]1[C:2]#[C:1][c:10]3[c:5]([c:6]([c:13]4[c:14]([c:7]3[H:29])[C:24]([C:25]([N:22]([C:23]4([H:39])[H:40])[H:38])([H:43])[H:44])([H:41])[H:42])[H:28])[H:27])[H:34])[H:32])[H:30])/[C:4](=[N:3]\[H:26])/[N:21]([H:36])[H:37])[H:35])[H:33] | [
1.7137889862060547,
0.017467999830842018,
0.8496959805488586,
0.5657250285148621,
0.034074001014232635,
0.497420996427536,
-7.960995197296143,
1.883890986442566,
-0.9810220003128052,
-7.102521896362305,
0.9438120126724243,
-1.212486982345581,
3.5185210704803467,
-1.2575769424438477,
1.88... | [
-636262.5
] | [
-13.29542064666748,
-5.173788070678711,
-1.5113253593444824,
15.393455505371094,
-4.498368263244629,
-2.8310387134552,
19.419397354125977,
14.530718803405762,
8.447580337524414,
-67.99784088134766,
35.264244079589844,
4.1757893562316895,
6.560322284698486,
-12.388948440551758,
4.24745464... |
[C:3](#[P:2])[F:1] | [
-0.6935750246047974,
-0.405782014131546,
-1.3316580057144165,
0.7625409960746765,
0.48614001274108887,
1.429947018623352,
-0.06896600127220154,
-0.08035799860954285,
-0.09828899800777435
] | [
-300680.21875
] | [
50.45855712890625,
25.3162899017334,
100.46208190917969,
-89.40927124023438,
-61.63766098022461,
-163.70208740234375,
38.950714111328125,
36.32136917114258,
63.24000930786133
] |
[C:3](#[P:2])[F:1] | [
0.5913599729537964,
-0.8246830105781555,
-1.121777057647705,
-0.6489920020103455,
0.8811569809913635,
1.2490609884262085,
0.057631999254226685,
-0.056474000215530396,
-0.12728500366210938
] | [
-300689.9375
] | [
-34.45469284057617,
50.37736129760742,
63.62538528442383,
75.16109466552734,
-99.15437316894531,
-146.84835815429688,
-40.706398010253906,
48.777015686035156,
83.22296905517578
] |
[C:3](#[P:2])[F:1] | [
0.03694299980998039,
0.5645670294761658,
1.4522329568862915,
0.08590800315141678,
-0.5335590243339539,
-1.6257749795913696,
-0.12285099923610687,
-0.031007999554276466,
0.17354199290275574
] | [
-300669.84375
] | [
-15.0449857711792,
-49.12407302856445,
-101.55589294433594,
-23.599857330322266,
51.488182067871094,
188.98361206054688,
38.64484405517578,
-2.3641085624694824,
-87.42772674560547
] |
[C:3](#[P:2])[F:1] | [
0.5730720162391663,
1.0379359722137451,
-0.9429100155830383,
-0.6969940066337585,
-1.178236961364746,
0.9871789813041687,
0.12392199784517288,
0.14030100405216217,
-0.044270001351833344
] | [
-300680.34375
] | [
-24.188447952270508,
-50.84600067138672,
53.14638137817383,
88.07686614990234,
140.095947265625,
-108.0659408569336,
-63.8884162902832,
-89.24993896484375,
54.919559478759766
] |
[C:3](#[P:2])[F:1] | [
-0.03990200161933899,
1.2415469884872437,
0.8151140213012695,
-0.0801289975643158,
-1.348397970199585,
-0.9141389727592468,
0.12003099918365479,
0.1068509966135025,
0.09902500361204147
] | [
-300695.03125
] | [
13.928003311157227,
-64.6541748046875,
-39.67196273803711,
24.28949546813965,
149.26910400390625,
104.79581451416016,
-38.217498779296875,
-84.61492919921875,
-65.12385559082031
] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.