smiles stringlengths 10 765 | coords listlengths 6 330 | energy listlengths 1 1 | forces listlengths 6 330 |
|---|---|---|---|
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:25... | [
-1.0466010570526123,
-0.20144300162792206,
-0.3137350082397461,
1.8319519758224487,
-3.1142239570617676,
0.9507700204849243,
2.5857739448547363,
-0.9723970293998718,
1.496034026145935,
-3.961000919342041,
3.023977041244507,
-0.7402060031890869,
0.0067540002055466175,
-0.16559100151062012,
... | [
-668150
] | [
19.50090789794922,
15.535723686218262,
1.4994754791259766,
14.142828941345215,
-54.436859130859375,
-9.162444114685059,
-65.65985870361328,
29.618633270263672,
-25.73847007751465,
8.55215835571289,
-17.001506805419922,
8.01602840423584,
-77.91017150878906,
78.09255981445312,
-62.49637222... |
[H:41][c:22]1[c:24]([c:27]([c:25]([c:26]([c:23]1[H:42])[F:6])[H:44])[C:11](=[O:3])[C:19]2=[C:20]([N:28]([C:21](=[C:17]2[H:39])[C:15](=[C:14]([H:36])[C:10](=[O:2])/[C:16](=[C:18](/[C:9](=[O:1])[O:7][H:34])\[O:8][H:35])/[H:38])[H:37])[H:45])[H:40])[H:43].[H:48][C:31]([H:49])([H:50])[C:12](=[O:4])[N:30]([H:47])[C:33]([H:5... | [
2.1259191036224365,
5.202393054962158,
-8.27175235748291,
1.3412519693374634,
1.9004520177841187,
-4.459228992462158,
-3.0096640586853027,
2.0725510120391846,
2.2518930435180664,
-0.9819300174713135,
-3.8600399494171143,
0.2225160002708435,
3.13995099067688,
-3.97060489654541,
1.46386897... | [
-1030582.75
] | [
-10.648857116699219,
10.749201774597168,
18.798938751220703,
-16.885692596435547,
-9.927122116088867,
-15.565160751342773,
13.761972427368164,
-4.069770812988281,
2.925996780395508,
8.725358963012695,
1.408340334892273,
-2.348353624343872,
-8.647351264953613,
5.873721599578857,
0.1310984... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
3.0014359951019287,
3.0593769550323486,
3.236414909362793,
-0.8553130030632019,
-1.5582610368728638,
1.1974380016326904,
3.1611170768737793,
1.9603290557861328,
3.7703158855438232,
-0.2367040067911148,
-0.44061601161956787,
0.8956220149993896,
0.8316069841384888,
-0.2666119933128357,
1.8... | [
-668119.875
] | [
-3.7203521728515625,
-34.307735443115234,
-1.1282613277435303,
-19.40378761291504,
-15.74754524230957,
-9.423001289367676,
-17.767412185668945,
15.66535758972168,
-17.546833038330078,
52.91999053955078,
0.10510525107383728,
30.87531852722168,
5.198978424072266,
34.85860061645508,
-9.5341... |
[H:17][c:9]1[c:7]([n:3][c:8]([c:10]([c:11]1[C:6]2=[N:2][C:5](=[N:1][N:13]2[N:12]([H:19])[H:20])[S:4][H:14])[H:18])[H:16])[H:15] | [
2.227221965789795,
2.5123848915100098,
-0.6239370107650757,
0.5308629870414734,
2.4316060543060303,
0.9732170104980469,
-1.6923420429229736,
-2.0661869049072266,
1.7386759519577026,
1.6614229679107666,
4.875630855560303,
0.13456100225448608,
1.4523580074310303,
3.1504549980163574,
0.2343... | [
-591650.5
] | [
-30.443845748901367,
-26.850988388061523,
42.70757293701172,
24.098690032958984,
44.64764404296875,
-27.421588897705078,
-29.13285255432129,
10.157116889953613,
11.392273902893066,
-11.29880428314209,
20.3179931640625,
19.468605041503906,
6.733761787414551,
23.74013328552246,
-17.2509555... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
0.24323399364948273,
-0.835207998752594,
-2.4024579524993896,
-2.851465940475464,
-0.041912999004125595,
0.5274119973182678,
-1.0514559745788574,
-1.168632984161377,
1.5392639636993408,
4.700411796569824,
1.5641930103302002,
-1.0002080202102661,
0.029411999508738518,
-1.0615049600601196,
... | [
-668151.5625
] | [
-5.140374183654785,
-23.18315315246582,
-22.741525650024414,
-48.58208465576172,
32.206417083740234,
32.690032958984375,
3.478147029876709,
-3.867152214050293,
-22.960041046142578,
-7.822136878967285,
5.743343830108643,
5.970113277435303,
77.38863372802734,
14.648199081420898,
-64.271675... |
[H:17][c:9]1[c:7]([n:3][c:8]([c:10]([c:11]1[C:6]2=[N:2][C:5](=[N:1][N:13]2[N:12]([H:19])[H:20])[S:4][H:14])[H:18])[H:16])[H:15] | [
-0.9681040048599243,
0.31505298614501953,
2.9835619926452637,
-1.5870569944381714,
0.42605599761009216,
0.7319549918174744,
2.849138021469116,
0.891277015209198,
-2.2094249725341797,
-3.6925079822540283,
0.04812299832701683,
2.508759021759033,
-1.983085036277771,
0.2843169867992401,
2.06... | [
-591633.8125
] | [
-35.32387161254883,
-3.1215741634368896,
-75.58479309082031,
-53.0627326965332,
-4.617743492126465,
35.85343933105469,
-20.47212028503418,
-0.9330525994300842,
-12.056229591369629,
28.211658477783203,
-21.50071907043457,
8.017837524414062,
13.703685760498047,
10.74700927734375,
3.1757721... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-3.2636189460754395,
-1.9783879518508911,
3.8377621173858643,
-3.2170939445495605,
-0.8103979825973511,
-3.9482600688934326,
-1.503641963005066,
-0.5791540145874023,
-2.4015259742736816,
-2.1344571113586426,
-1.5352070331573486,
3.5970840454101562,
-2.6839799880981445,
-1.0280200242996216,... | [
-668178.0625
] | [
13.671741485595703,
14.503658294677734,
5.516385078430176,
-64.23207092285156,
-5.359667778015137,
-1.5869818925857544,
14.99616527557373,
6.9951701164245605,
82.50343322753906,
-52.7557487487793,
-35.37603759765625,
-12.846053123474121,
26.018831253051758,
5.28020715713501,
4.7259001731... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.3919529914855957,
-0.7760760188102722,
1.9038900136947632,
0.33543598651885986,
2.396090030670166,
3.8707029819488525,
-0.3276419937610626,
3.231642961502075,
1.7179319858551025,
-0.031633999198675156,
-4.35748815536499,
-2.1753180027008057,
-0.6708499789237976,
0.44525599479675293,
1... | [
-668090.75
] | [
-7.208955764770508,
-24.3226318359375,
-32.170806884765625,
37.06348419189453,
35.2422981262207,
62.126468658447266,
17.96245574951172,
9.173724174499512,
54.331153869628906,
-25.869203567504883,
16.962270736694336,
30.1892032623291,
15.630014419555664,
-112.2717056274414,
1.797863602638... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.23426899313926697,
-0.7742729783058167,
-2.450131893157959,
-2.78417706489563,
-1.1754909753799438,
0.47592100501060486,
-0.568310022354126,
-0.6197720170021057,
0.9294909834861755,
4.195220947265625,
1.5260180234909058,
-0.7218170166015625,
-0.029185999184846878,
-1.5821160078048706,
... | [
-668088.875
] | [
13.352145195007324,
-27.437833786010742,
27.29308319091797,
-45.86561965942383,
0.20749615132808685,
51.79610061645508,
18.92511749267578,
-47.90413284301758,
-29.203187942504883,
20.504419326782227,
9.61707878112793,
-28.168582916259766,
40.94397735595703,
57.70806121826172,
-139.119796... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-2.05804705619812,
-1.1387920379638672,
-5.9075751304626465,
1.203847050666809,
-1.09865403175354,
-0.2963249981403351,
-2.01021409034729,
-0.43223699927330017,
-4.9488630294799805,
0.5134729743003845,
-0.1140810027718544,
-0.7975280284881592,
0.3110809922218323,
-0.28352200984954834,
-2... | [
-668117.25
] | [
-15.591551780700684,
-25.361255645751953,
-47.06067657470703,
28.1209774017334,
1.1054353713989258,
1.7578681707382202,
28.10164451599121,
-6.292629241943359,
30.73238754272461,
-17.319591522216797,
22.198732376098633,
-35.15493392944336,
-6.514008045196533,
11.018099784851074,
34.605842... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.47335898876190186,
-1.0405919551849365,
1.1343640089035034,
0.633978009223938,
1.8744889497756958,
4.269810199737549,
0.5723050236701965,
2.8816590309143066,
2.138582944869995,
-0.07657799869775772,
-4.013682842254639,
-2.255319118499756,
-0.17974700033664703,
0.22444599866867065,
1.2... | [
-668154.5
] | [
-15.178523063659668,
7.603240013122559,
4.58958625793457,
-8.178153991699219,
26.542991638183594,
56.299652099609375,
-7.0110697746276855,
13.272567749023438,
-0.059506870806217194,
-0.9381207823753357,
-3.342132329940796,
9.878524780273438,
-12.044245719909668,
-67.22540283203125,
-81.4... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-0.1335339993238449,
5.372304916381836,
1.0189160108566284,
-3.8326010704040527,
-2.0377700328826904,
0.6928849816322327,
-2.4351398944854736,
-0.43466299772262573,
-0.4874500036239624,
0.6048060059547424,
4.530890941619873,
0.5698860287666321,
-1.1200670003890991,
2.4776339530944824,
0.... | [
-668099.5
] | [
-48.40131759643555,
19.1679744720459,
-19.335308074951172,
12.703729629516602,
40.90175247192383,
64.94304656982422,
40.94013977050781,
38.162723541259766,
66.76653289794922,
24.589502334594727,
-21.213581085205078,
80.167236328125,
84.55290985107422,
-14.523015975952148,
-17.32054519653... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-0.5548989772796631,
4.546345233917236,
-3.0936269760131836,
-0.8894879817962646,
-1.2292319536209106,
-0.799875020980835,
-1.5428919792175293,
3.98370099067688,
-3.3710389137268066,
-0.40229400992393494,
-0.09099099785089493,
-0.6978539824485779,
-1.1157430410385132,
0.8162490129470825,
... | [
-668068.3125
] | [
96.1173095703125,
60.2559700012207,
12.03956127166748,
-32.35370635986328,
-114.9306869506836,
-24.320810317993164,
-65.86072540283203,
-19.13626480102539,
-15.64763069152832,
40.37567138671875,
84.0823745727539,
14.430590629577637,
13.65241813659668,
40.337833404541016,
6.07684898376464... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-0.6870800256729126,
4.869734764099121,
-1.5302549600601196,
-0.5985959768295288,
-1.4564210176467896,
-1.5732940435409546,
-1.6520169973373413,
4.389591217041016,
-2.108272075653076,
-0.38551199436187744,
-0.3264259994029999,
-0.9195060133934021,
-1.1145780086517334,
0.7271620035171509,
... | [
-668115
] | [
-13.151092529296875,
-7.768080234527588,
11.35188102722168,
2.929149866104126,
-22.96236228942871,
16.099658966064453,
43.82605743408203,
-11.720398902893066,
-27.830400466918945,
-18.448259353637695,
17.32062530517578,
-22.94363784790039,
9.306387901306152,
-9.872204780578613,
-13.21066... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-0.0824970006942749,
1.2190309762954712,
5.053843975067139,
-4.841752052307129,
-1.0286279916763306,
-0.8374210000038147,
-3.5756449699401855,
-0.8334749937057495,
1.1312570571899414,
0.45550599694252014,
1.4183330535888672,
4.007763862609863,
-1.4338879585266113,
0.6286849975585938,
2.4... | [
-668127.6875
] | [
-23.547210693359375,
-11.246136665344238,
55.79114532470703,
-49.289432525634766,
-7.259618759155273,
5.338805675506592,
-9.186156272888184,
-4.027421951293945,
60.24825668334961,
42.93204879760742,
33.64518737792969,
34.085906982421875,
-22.755382537841797,
-19.07366180419922,
28.946687... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-4.082085132598877,
0.17407900094985962,
3.164907932281494,
3.4054229259490967,
-2.762876033782959,
3.0126819610595703,
1.5693199634552002,
-1.2784010171890259,
3.27000093460083,
-3.4841930866241455,
0.5995320081710815,
2.1909079551696777,
-1.0634690523147583,
-0.5425419807434082,
2.4796... | [
-668170.25
] | [
11.945815086364746,
-3.148768663406372,
15.870667457580566,
16.241012573242188,
-26.019224166870117,
-44.66349792480469,
-27.949548721313477,
24.630359649658203,
-18.36191177368164,
-18.983036041259766,
-21.757442474365234,
20.706317901611328,
-4.228089809417725,
1.0862618684768677,
-1.7... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
3.62384295463562,
-0.300586998462677,
-4.37614107131958,
-0.3180769979953766,
1.5142539739608765,
0.10900499671697617,
2.6234970092773438,
0.2998400032520294,
-4.796235084533691,
0.5213789939880371,
0.6311360001564026,
-0.3474240005016327,
0.8028540015220642,
0.796563982963562,
-1.691192... | [
-668067.4375
] | [
-18.113222122192383,
42.058292388916016,
-13.169071197509766,
-31.991161346435547,
8.799262046813965,
8.536772727966309,
-16.552345275878906,
-87.42625427246094,
11.478069305419922,
-4.455636978149414,
11.175329208374023,
-7.776015758514404,
12.0127534866333,
-13.241207122802734,
4.07017... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-2.8662900924682617,
4.491710186004639,
1.7773489952087402,
4.229621887207031,
0.6026009917259216,
2.3038530349731445,
2.3818979263305664,
0.2018440067768097,
0.9438409805297852,
-2.8153629302978516,
3.551682949066162,
0.9922749996185303,
-0.3858639895915985,
2.5724709033966064,
1.466846... | [
-668161.125
] | [
14.528011322021484,
-6.157580852508545,
11.944294929504395,
35.788787841796875,
9.715568542480469,
10.447477340698242,
-55.589019775390625,
8.74827766418457,
-38.155250549316406,
9.532083511352539,
34.22395706176758,
16.06852912902832,
-38.566368103027344,
-19.67700958251953,
-19.4260578... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-4.043027877807617,
0.7119669914245605,
-3.1813011169433594,
3.4410479068756104,
-1.4347089529037476,
-3.6376960277557373,
1.7326799631118774,
-1.8396919965744019,
-1.9138720035552979,
-3.6850719451904297,
0.5342370271682739,
-2.02333402633667,
-1.4626749753952026,
-0.5198720097541809,
-... | [
-668123.9375
] | [
14.185630798339844,
-1.2206213474273682,
10.738367080688477,
-20.932361602783203,
-0.05713522806763649,
12.193428993225098,
59.783546447753906,
-23.29631805419922,
-5.663642406463623,
-93.16320037841797,
0.4947897493839264,
-0.7958768606185913,
6.525442600250244,
18.25362777709961,
31.80... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
4.302398204803467,
-4.0721940994262695,
3.018117904663086,
-1.030711054801941,
-0.4758149981498718,
1.0895910263061523,
4.026948928833008,
-3.193329095840454,
2.195281982421875,
0.21945899724960327,
-0.3952830135822296,
0.6415179967880249,
1.098976969718933,
-1.1339010000228882,
1.489336... | [
-668112.375
] | [
-6.618414878845215,
24.472806930541992,
-6.368169784545898,
-1.5007798671722412,
-1.6431056261062622,
-19.631460189819336,
-17.69654083251953,
-34.06140899658203,
37.60623550415039,
9.089181900024414,
0.66727215051651,
27.94489288330078,
-4.939934730529785,
-10.287395477294922,
12.513175... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
4.7295708656311035,
0.18896199762821198,
2.256416082382202,
1.2052359580993652,
-0.928928017616272,
-4.832571029663086,
2.06072998046875,
-1.5249719619750977,
-2.730552911758423,
3.5214149951934814,
0.4063049852848053,
2.344295024871826,
2.8434150218963623,
-0.10493700206279755,
-0.16587... | [
-668165.375
] | [
-12.234747886657715,
-1.129228949546814,
-5.075682640075684,
-33.07197570800781,
22.846851348876953,
-29.430225372314453,
-8.77141284942627,
25.48464584350586,
64.87876892089844,
46.05826950073242,
-1.1644952297210693,
-0.21211493015289307,
-5.1980061531066895,
-4.1537699699401855,
6.469... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-0.2685370147228241,
-2.689544916152954,
4.766746997833252,
3.388334035873413,
2.852602958679199,
0.6552559733390808,
1.2697360515594482,
1.834507942199707,
0.6130290031433105,
-0.9309269785881042,
-2.520819902420044,
3.731050968170166,
0.9281190037727356,
-0.9675859808921814,
2.48110294... | [
-668121.6875
] | [
-16.4135684967041,
-11.57466983795166,
-22.672082901000977,
28.19224739074707,
13.922684669494629,
-51.52910232543945,
-20.30651092529297,
28.198270797729492,
-50.38914108276367,
52.57418441772461,
38.41991424560547,
57.29203796386719,
-43.66653060913086,
-36.85865783691406,
29.972372055... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-1.8714799880981445,
4.743549823760986,
1.6930279731750488,
-2.660537004470825,
-3.0996780395507812,
2.8553380966186523,
-0.9625200033187866,
-1.6516059637069702,
2.1711840629577637,
-1.1351360082626343,
4.165421009063721,
0.9425280094146729,
-1.822782039642334,
1.7174769639968872,
1.658... | [
-668172.625
] | [
-35.4021110534668,
25.659305572509766,
25.947477340698242,
-93.0783462524414,
-17.78407096862793,
-12.593583106994629,
16.49213218688965,
-3.707456350326538,
-22.355728149414062,
15.048074722290039,
22.265342712402344,
9.568349838256836,
10.413467407226562,
48.38654708862305,
1.175143957... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
4.593972206115723,
2.579571008682251,
-3.989058017730713,
1.1014800071716309,
-0.3992590010166168,
1.0400279760360718,
3.503351926803589,
2.3364920616149902,
-3.5141069889068604,
0.7433840036392212,
0.20327399671077728,
-0.09421999752521515,
1.970823049545288,
0.8070799708366394,
-0.5674... | [
-668072.375
] | [
20.68010711669922,
-15.00454330444336,
-6.145761966705322,
-1.6273661851882935,
-10.846096992492676,
29.65158462524414,
37.044254302978516,
20.166893005371094,
29.406789779663086,
112.58377075195312,
-4.700445175170898,
80.84222412109375,
-81.0661849975586,
-24.810794830322266,
-44.74841... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
4.59923791885376,
-1.225932002067566,
2.614438056945801,
-3.158123016357422,
-3.2224268913269043,
1.7295299768447876,
-1.3348859548568726,
-1.8713239431381226,
2.262727975845337,
4.093550205230713,
-0.7094190120697021,
1.6585769653320312,
1.7285890579223633,
-1.8178479671478271,
1.765552... | [
-668124.75
] | [
17.93619155883789,
-43.2811279296875,
31.514833450317383,
-7.471446990966797,
-82.42000579833984,
-99.15936279296875,
77.1054916381836,
-6.830496311187744,
-43.876346588134766,
38.889827728271484,
46.39257049560547,
23.915555953979492,
15.552383422851562,
-8.501562118530273,
8.6278476715... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-3.5947189331054688,
-1.4088239669799805,
3.5897469520568848,
-3.1069390773773193,
0.16772699356079102,
-4.059658050537109,
-1.4029920101165771,
-0.002722000004723668,
-2.412621021270752,
-2.4440290927886963,
-1.2403409481048584,
3.473165988922119,
-2.607012987136841,
-1.087311029434204,
... | [
-668106.5625
] | [
-116.55620574951172,
-28.73415756225586,
18.967679977416992,
-149.32528686523438,
-35.51902389526367,
48.436405181884766,
-21.2250919342041,
-4.018535137176514,
31.78141212463379,
40.77881622314453,
26.19007110595703,
21.789865493774414,
-35.70928192138672,
-9.188631057739258,
97.8967971... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
3.217919111251831,
0.8859189748764038,
-0.3984000086784363,
1.1837409734725952,
-0.13755099475383759,
3.0785539150238037,
2.335299015045166,
-2.0875020027160645,
2.3550620079040527,
-0.8738290071487427,
4.432814121246338,
-3.2606630325317383,
2.533829927444458,
0.7755659818649292,
0.6743... | [
-668149.375
] | [
14.693376541137695,
18.368301391601562,
-32.743953704833984,
-20.030170440673828,
-9.890686988830566,
29.09944725036621,
14.744580268859863,
-11.112604141235352,
7.869771480560303,
15.151383399963379,
1.377771019935608,
1.9681106805801392,
1.1915960311889648,
68.30321502685547,
-66.57601... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
4.314218997955322,
-2.32403302192688,
1.93477201461792,
-3.4800000190734863,
-3.4233360290527344,
1.9101940393447876,
-1.440384030342102,
-2.4989960193634033,
2.5968000888824463,
3.8809900283813477,
-1.3592510223388672,
1.3190770149230957,
1.3071149587631226,
-1.9559409618377686,
1.64534... | [
-668167.5
] | [
4.231029510498047,
18.377412796020508,
1.4760816097259521,
-5.7997283935546875,
-17.88872528076172,
-31.524423599243164,
65.24020385742188,
17.883556365966797,
-7.7050323486328125,
2.8084487915039062,
-28.855045318603516,
-4.41808557510376,
23.467069625854492,
-6.3896636962890625,
-1.431... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
0.48182401061058044,
-0.34736600518226624,
4.978322982788086,
-1.0744470357894897,
-5.1889848709106445,
-0.9020429849624634,
-1.0648939609527588,
-2.88628888130188,
-0.7349740266799927,
0.31456899642944336,
0.3257800042629242,
4.027153968811035,
-0.07007399946451187,
-1.611415982246399,
... | [
-668099
] | [
6.5061187744140625,
-95.2626953125,
83.07521057128906,
22.63158416748047,
-88.52619171142578,
43.19595718383789,
-54.90306854248047,
16.371047973632812,
-50.644920349121094,
-9.35017204284668,
-13.613626480102539,
-55.54373550415039,
-13.167519569396973,
46.9121208190918,
41.330871582031... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
3.6598639488220215,
0.9544969797134399,
1.500535011291504,
2.636353015899658,
-1.5868350267410278,
-1.547234058380127,
1.2605329751968384,
0.3219119906425476,
-1.7741470336914062,
-0.8775629997253418,
3.5335099697113037,
3.2511379718780518,
2.9773941040039062,
1.1129900217056274,
0.41881... | [
-668149.9375
] | [
9.291199684143066,
10.498067855834961,
6.822730541229248,
-6.541584014892578,
-49.13460922241211,
-24.4493408203125,
46.412841796875,
4.849366664886475,
26.074466705322266,
-6.839941501617432,
-4.936089038848877,
-7.3538384437561035,
27.13722801208496,
41.44761657714844,
76.8828506469726... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:25... | [
1.9542770385742188,
3.581204891204834,
0.3433850109577179,
-0.4326309859752655,
1.2719470262527466,
2.4681220054626465,
-1.6509389877319336,
1.6527800559997559,
0.47742098569869995,
4.612428188323975,
-0.8956720232963562,
0.35184699296951294,
0.8939499855041504,
2.929577112197876,
0.1746... | [
-668080.625
] | [
80.68253326416016,
49.32172775268555,
-13.280790328979492,
-11.78386402130127,
-79.40911865234375,
70.02728271484375,
19.39952278137207,
-10.183435440063477,
11.612567901611328,
10.774553298950195,
40.71620559692383,
-4.8159379959106445,
57.60675811767578,
17.144691467285156,
-119.060951... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-4.294363021850586,
3.314069986343384,
1.5235919952392578,
-0.2638939917087555,
-0.722091019153595,
-1.2320189476013184,
-4.767271995544434,
2.622061014175415,
0.64621502161026,
-0.5736979842185974,
0.004844999872148037,
-0.19429099559783936,
-1.9311209917068481,
0.4667840003967285,
-0.2... | [
-668117.875
] | [
7.165407657623291,
-0.2256166785955429,
8.400484085083008,
-2.845376491546631,
-16.16931915283203,
-20.696735382080078,
27.02467155456543,
4.188756465911865,
4.426638126373291,
-21.90434455871582,
20.084993362426758,
21.44667625427246,
1.5645912885665894,
-17.89606285095215,
-1.976903557... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
1.6871269941329956,
6.083836078643799,
1.3533869981765747,
1.3247439861297607,
-0.09667500108480453,
-1.0344469547271729,
0.9910299777984619,
5.074696063995361,
1.3134870529174805,
0.4222339987754822,
0.6283969879150391,
-0.4066630005836487,
0.7070289850234985,
2.034498929977417,
-0.4295... | [
-668111.625
] | [
6.6314897537231445,
-17.59878158569336,
-12.83703327178955,
20.225933074951172,
20.4719295501709,
-4.913489818572998,
-1.9066258668899536,
38.27188491821289,
-12.26998233795166,
-0.9024643301963806,
43.18578338623047,
-2.9187870025634766,
15.997462272644043,
-2.202106475830078,
-7.779294... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
2.4493870735168457,
-0.9408730268478394,
-1.7990280389785767,
0.39921799302101135,
-1.6002910137176514,
1.3774160146713257,
-1.2702499628067017,
-0.8649569749832153,
-0.11900799721479416,
3.195997953414917,
1.0475510358810425,
0.5548139810562134,
1.1391810178756714,
-0.9564129710197449,
... | [
-668142.5
] | [
-30.783905029296875,
-9.992549896240234,
-3.049287796020508,
4.76732063293457,
-6.499869346618652,
50.95038604736328,
50.27253723144531,
-33.96268081665039,
-22.245065689086914,
-5.21728515625,
5.5538330078125,
7.722815036773682,
87.04928588867188,
55.57791519165039,
-74.94071960449219,
... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
5.274188041687012,
1.0182240009307861,
-0.460330992937088,
-0.7467460036277771,
-0.20932500064373016,
-1.6757160425186157,
4.611721992492676,
1.7817679643630981,
-1.0682649612426758,
0.3902359902858734,
-0.5824869871139526,
-1.0304620265960693,
1.531546950340271,
-0.08156099915504456,
-1... | [
-668062.1875
] | [
36.8775634765625,
-43.1916618347168,
62.591941833496094,
41.349365234375,
2.4051520824432373,
34.27385711669922,
-8.041913032531738,
6.944804668426514,
-79.89042663574219,
18.801549911499023,
20.448436737060547,
-44.283782958984375,
5.5545244216918945,
-24.274322509765625,
47.82377243041... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:25... | [
1.9040449857711792,
2.0782699584960938,
-2.1925790309906006,
3.476119041442871,
1.7395609617233276,
1.3804370164871216,
2.2903099060058594,
-0.15720200538635254,
1.0183730125427246,
-1.0359100103378296,
-0.19036699831485748,
0.18582899868488312,
2.158961057662964,
0.9966740012168884,
-1.... | [
-668091.9375
] | [
12.0587739944458,
7.953396797180176,
-33.994258880615234,
42.58339309692383,
65.10958099365234,
82.17439270019531,
4.837704181671143,
-27.42976951599121,
-64.3221206665039,
-48.543460845947266,
-48.004478454589844,
-9.058283805847168,
-90.00711822509766,
46.06215286254883,
-87.5936584472... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.7880949974060059,
3.1734700202941895,
1.1824699640274048,
-0.8027300238609314,
-1.0134299993515015,
0.09945300221443176,
-1.8049260377883911,
0.06290899962186813,
-1.812790036201477,
3.6583640575408936,
1.3601289987564087,
2.670488119125366,
-0.7355210185050964,
1.8744200468063354,
0.... | [
-668087.3125
] | [
-47.1217155456543,
-26.30792236328125,
-58.32632064819336,
17.67112922668457,
2.145834445953369,
-1.7104222774505615,
47.079193115234375,
16.13216781616211,
61.04349899291992,
-41.47007369995117,
-62.38642120361328,
13.721479415893555,
51.67173767089844,
122.45689392089844,
129.490707397... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
4.434378147125244,
3.8672399520874023,
-2.992187976837158,
1.1683779954910278,
-0.7554159760475159,
0.8082470297813416,
3.3425960540771484,
3.300273895263672,
-2.7906439304351807,
0.8367480039596558,
-0.20566999912261963,
-0.3379400074481964,
1.9885250329971313,
0.3780269920825958,
-0.92... | [
-668117.375
] | [
-33.71379089355469,
-21.378631591796875,
11.583653450012207,
20.450923919677734,
-12.695210456848145,
12.670578002929688,
72.95838165283203,
-2.412411689758301,
1.5973495244979858,
5.371992111206055,
2.9492626190185547,
-20.123252868652344,
-2.920830249786377,
28.8435115814209,
-24.29747... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-0.6194850206375122,
6.039289951324463,
0.8589119911193848,
0.9046810269355774,
0.43870800733566284,
-1.3696130514144897,
-0.4963200092315674,
4.935421943664551,
1.3901020288467407,
0.6894230246543884,
0.6396179795265198,
-0.099092997610569,
0.9639819860458374,
2.011970043182373,
0.26287... | [
-668126.0625
] | [
11.828703880310059,
-19.900373458862305,
6.690372467041016,
9.073227882385254,
-0.9849405884742737,
-19.767738342285156,
-10.862204551696777,
30.08869171142578,
-7.541820526123047,
3.74518084526062,
28.191213607788086,
24.723573684692383,
-9.625147819519043,
-9.661822319030762,
5.1772699... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-4.937420845031738,
-2.3887479305267334,
1.42848801612854,
-0.29198798537254333,
1.5599579811096191,
-0.4630570113658905,
-5.000357151031494,
-1.2686530351638794,
1.9240339994430542,
-0.6281260251998901,
0.32632699608802795,
-0.13485099375247955,
-1.8920539617538452,
0.2840240001678467,
... | [
-668109.8125
] | [
10.475312232971191,
3.6530380249023438,
12.63422679901123,
1.3992130756378174,
-7.359714031219482,
9.802145957946777,
-13.915836334228516,
-13.918996810913086,
-43.92451095581055,
-24.96611213684082,
-11.404135704040527,
19.402267456054688,
12.00500774383545,
3.122415065765381,
12.504865... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-1.0382909774780273,
-4.858705997467041,
1.900439977645874,
4.790003776550293,
0.6945239901542664,
1.6456489562988281,
3.4561100006103516,
-1.1534090042114258,
1.1045080423355103,
-1.417451024055481,
-3.8355660438537598,
1.381451964378357,
0.7902979850769043,
-2.415220022201538,
1.474730... | [
-668167.125
] | [
36.046878814697266,
-18.514232635498047,
16.05524444580078,
-9.942700386047363,
57.72301483154297,
6.989997386932373,
-62.06658935546875,
-41.91657257080078,
-16.116926193237305,
-19.396879196166992,
-31.814682006835938,
14.057137489318848,
-33.97265625,
10.232131004333496,
-20.213603973... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-5.095170021057129,
-3.2773680686950684,
1.285094976425171,
-0.6196039915084839,
0.9414539933204651,
1.0180569887161255,
-3.9062530994415283,
-3.280071973800659,
1.0089069604873657,
-0.4227040112018585,
-0.321152001619339,
0.7414370179176331,
-1.4351660013198853,
-1.1151249408721924,
1.4... | [
-668118.875
] | [
2.1139938831329346,
-1.684110164642334,
10.59341812133789,
1.183545470237732,
28.86396598815918,
3.425313949584961,
-26.313493728637695,
16.67250633239746,
9.083409309387207,
-46.31251525878906,
-17.004667282104492,
28.11660385131836,
31.310428619384766,
-6.911938667297363,
-16.022684097... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
0.1669439971446991,
-3.7763350009918213,
3.9414560794830322,
3.3819339275360107,
2.8187949657440186,
0.9078260064125061,
1.2219539880752563,
1.90277099609375,
0.9191550016403198,
-0.4691759943962097,
-3.4556140899658203,
2.9875380992889404,
0.8941829800605774,
-1.3084540367126465,
2.3492... | [
-668167.75
] | [
41.25523376464844,
-4.746411323547363,
52.322593688964844,
65.70824432373047,
-13.8543119430542,
-2.384935140609741,
-6.29802942276001,
-13.10462474822998,
-5.635263442993164,
-23.77176856994629,
-23.011188507080078,
-10.864986419677734,
-21.820755004882812,
-20.137420654296875,
2.813965... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-0.2084749937057495,
5.269876003265381,
-0.37677299976348877,
4.442808151245117,
-0.5652430057525635,
-2.3758790493011475,
2.6394829750061035,
0.9062430262565613,
-2.556082010269165,
-0.7331119775772095,
4.226627826690674,
0.0005009999731555581,
0.8442559838294983,
2.4442648887634277,
-1... | [
-668165.875
] | [
10.310162544250488,
-20.70595932006836,
-16.528793334960938,
51.9793586730957,
-37.95646667480469,
-2.8661258220672607,
-67.84248352050781,
17.286287307739258,
37.17525863647461,
-13.312087059020996,
60.453956604003906,
29.945796966552734,
-10.381888389587402,
3.6712236404418945,
12.6488... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-0.25583600997924805,
6.558874130249023,
0.8912079930305481,
0.7598990201950073,
0.22673900425434113,
-0.9567930102348328,
-0.04145200178027153,
5.539985179901123,
1.4486889839172363,
0.044112998992204666,
0.7114670276641846,
-0.02712400071322918,
0.4701690077781677,
2.1059250831604004,
... | [
-668063.3125
] | [
12.570695877075195,
57.11684036254883,
-65.02156066894531,
13.171564102172852,
-33.52626419067383,
-19.5242977142334,
-17.118375778198242,
-44.66141128540039,
50.77762985229492,
-38.735755920410156,
43.16782760620117,
73.19486999511719,
-30.598905563354492,
-51.71214294433594,
28.4414710... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-3.6908180713653564,
3.8696389198303223,
1.7483450174331665,
4.035284996032715,
2.1213340759277344,
0.9459030032157898,
2.2129480838775635,
0.9896640181541443,
-0.14382900297641754,
-3.6339240074157715,
2.9145450592041016,
0.9351599812507629,
-0.959447979927063,
2.6637959480285645,
0.637... | [
-668106.4375
] | [
2.5453720092773438,
-23.316465377807617,
-61.47641372680664,
16.84492301940918,
-31.666643142700195,
-49.5885009765625,
26.673179626464844,
-1.3984031677246094,
-10.73255443572998,
21.151519775390625,
-8.894352912902832,
85.30909729003906,
9.887086868286133,
-0.7217037081718445,
16.49424... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-4.428325176239014,
0.6204969882965088,
2.635200023651123,
2.589426040649414,
-3.007801055908203,
3.6633999347686768,
1.0773669481277466,
-1.1446449756622314,
3.599118947982788,
-3.8579559326171875,
0.5596410036087036,
1.6182739734649658,
-1.4084659814834595,
-0.20050500333309174,
2.3731... | [
-668111.9375
] | [
-36.8962516784668,
-19.242021560668945,
118.01686096191406,
47.49793243408203,
-76.36272430419922,
-85.33448791503906,
29.834308624267578,
-27.445112228393555,
-24.15743064880371,
31.78812026977539,
36.9718132019043,
-56.69563293457031,
15.73740291595459,
-10.063128471374512,
-56.9635810... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
2.354975938796997,
4.826216220855713,
0.7642530202865601,
-4.954590797424316,
1.3747559785842896,
0.48662200570106506,
-2.815148115158081,
0.8694270253181458,
-0.30376100540161133,
2.4337189197540283,
3.6160318851470947,
0.6827899813652039,
-0.10782500356435776,
2.9200170040130615,
0.797... | [
-668168.625
] | [
-27.814119338989258,
30.10699462890625,
8.633153915405273,
-21.962310791015625,
29.998044967651367,
40.50661849975586,
42.895545959472656,
-10.95187759399414,
-19.70668601989746,
14.434443473815918,
55.73965835571289,
-2.937920331954956,
-5.226006031036377,
2.6667027473449707,
0.62780803... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-0.74440598487854,
5.291464805603027,
0.9061840176582336,
-4.199845790863037,
-1.7095149755477905,
-0.28998398780822754,
-2.261357069015503,
-0.5327349901199341,
-0.901773989200592,
0.14496900141239166,
4.444036960601807,
0.8195390105247498,
-1.3659509420394897,
2.3097000122070312,
0.581... | [
-668170
] | [
-6.764505386352539,
-14.711943626403809,
-1.2113232612609863,
-29.474435806274414,
-10.072432518005371,
33.2392578125,
30.12883758544922,
3.5668845176696777,
-11.764286041259766,
-29.600126266479492,
51.725830078125,
1.2151594161987305,
41.19850540161133,
20.285667419433594,
8.9464130401... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
2.1734941005706787,
3.2660579681396484,
0.7663649916648865,
-0.08720699697732925,
0.7284479737281799,
3.285029888153076,
-0.9223520159721375,
0.9370080232620239,
1.0880359411239624,
2.068427085876465,
-0.6196510195732117,
-2.1111600399017334,
0.9146580100059509,
3.0430750846862793,
0.882... | [
-668143.0625
] | [
23.82762336730957,
30.414892196655273,
3.6451475620269775,
-22.39992904663086,
-78.7953109741211,
57.453025817871094,
-0.5538389086723328,
-2.8738276958465576,
6.283369064331055,
34.50478744506836,
-21.807958602905273,
12.225223541259766,
57.92709732055664,
-9.263038635253906,
-65.100280... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.09912099689245224,
2.390547037124634,
-0.39301300048828125,
2.386167049407959,
0.3743070065975189,
-2.9983348846435547,
1.5254080295562744,
-1.2133280038833618,
-1.505653977394104,
-1.3148690462112427,
2.7739949226379395,
5.435165882110596,
0.03723699972033501,
1.1287280321121216,
-0.... | [
-668148.5625
] | [
-16.902889251708984,
3.7839252948760986,
-6.7930588722229,
58.61443328857422,
6.825963973999023,
-48.70596694946289,
-43.32976150512695,
30.202566146850586,
24.89455795288086,
-24.00200843811035,
-1.5936403274536133,
-16.61617088317871,
-23.90993881225586,
54.733760833740234,
43.02865219... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
2.8587288856506348,
4.099845886230469,
2.901002883911133,
0.7448999881744385,
-0.47186699509620667,
-1.0241090059280396,
3.7318239212036133,
3.537329912185669,
2.231239080429077,
0.5660369992256165,
0.21398800611495972,
0.05195000022649765,
1.7312860488891602,
0.943265974521637,
0.402164... | [
-668119
] | [
6.391294479370117,
-18.88033103942871,
-14.112715721130371,
-23.803268432617188,
-28.538528442382812,
-38.72783279418945,
-27.013629913330078,
30.673402786254883,
23.612154006958008,
-25.88153839111328,
26.851825714111328,
38.78025817871094,
5.076687335968018,
7.275850296020508,
23.28299... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
1.0422190427780151,
5.250636100769043,
-2.773123025894165,
-1.6125149726867676,
0.18375800549983978,
-0.49191999435424805,
1.5250719785690308,
4.184698104858398,
-2.658798933029175,
-0.431784987449646,
0.09199000149965286,
-1.0281729698181152,
-0.20759199559688568,
1.2061549425125122,
-1... | [
-668073.625
] | [
-48.49625778198242,
71.8277587890625,
-1.475922703742981,
-21.562578201293945,
22.354764938354492,
-3.9997637271881104,
18.61671257019043,
-82.99812316894531,
-33.357322692871094,
22.61246109008789,
35.4994010925293,
-16.462499618530273,
30.435407638549805,
-35.17036819458008,
-7.3512673... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-4.21605110168457,
2.7342119216918945,
-1.8273710012435913,
0.773705005645752,
-2.979482889175415,
-4.024745941162109,
0.7575569748878479,
-1.3779170513153076,
-2.278434991836548,
-3.412480115890503,
2.5414040088653564,
-0.8900700211524963,
-2.1783039569854736,
0.44696301221847534,
-1.87... | [
-668091.0625
] | [
15.610139846801758,
-20.75635528564453,
47.872283935546875,
-58.23409652709961,
-2.4378795623779297,
-24.003902435302734,
-42.10639572143555,
-3.191157102584839,
33.15353775024414,
6.8347368240356445,
72.98282623291016,
-58.05155944824219,
-1.3428616523742676,
33.62287139892578,
15.68676... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
5.114768028259277,
0.5407230257987976,
-0.5653290152549744,
-1.2713890075683594,
-2.0768020153045654,
-4.6111249923706055,
-0.9061539769172668,
-0.6047999858856201,
-2.7402191162109375,
4.145890235900879,
0.5081470012664795,
0.22176499664783478,
2.4993860721588135,
-0.4882679879665375,
-... | [
-668113.75
] | [
-30.175212860107422,
19.399612426757812,
3.070190191268921,
40.1307373046875,
0.16575762629508972,
-14.272207260131836,
20.818357467651367,
32.140438079833984,
35.37730026245117,
70.96651458740234,
-58.35466766357422,
-51.543277740478516,
-70.37743377685547,
16.443838119506836,
35.012985... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
5.56357479095459,
1.8516730070114136,
0.03711500018835068,
-0.06568700075149536,
-1.3483680486679077,
0.44419899582862854,
5.428318977355957,
0.8344039916992188,
0.6680060029029846,
0.612824022769928,
-0.4996730089187622,
-0.29382601380348206,
2.089308023452759,
-0.5959789752960205,
-0.1... | [
-668061.0625
] | [
6.200735092163086,
30.38643455505371,
-18.702476501464844,
-7.692155361175537,
31.073223114013672,
-18.284683227539062,
-5.532861709594727,
32.458656311035156,
14.867691040039062,
20.488265991210938,
15.770751953125,
-28.91945457458496,
-29.717134475708008,
15.188050270080566,
5.15428876... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-2.585268974304199,
3.7888689041137695,
4.551537990570068,
-2.080471992492676,
-1.0607609748840332,
-0.37763699889183044,
-1.98340904712677,
2.7641830444335938,
4.215407848358154,
-1.1563270092010498,
-0.4143820106983185,
0.29581698775291443,
-1.8191430568695068,
0.235494002699852,
1.358... | [
-668052.8125
] | [
-16.6403865814209,
-35.257747650146484,
-13.678084373474121,
-21.84650993347168,
-19.595373153686523,
-31.6983585357666,
-14.928693771362305,
53.890663146972656,
-6.40864896774292,
-65.54069519042969,
7.692764759063721,
31.888717651367188,
-89.84020233154297,
47.95099639892578,
26.042625... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
3.05993390083313,
0.5934590101242065,
0.3186019957065582,
0.14008499681949615,
-2.071026086807251,
1.5299570560455322,
1.8326599597930908,
-1.9560530185699463,
3.089387893676758,
0.6108859777450562,
5.542898178100586,
-2.5571889877319336,
1.9840199947357178,
-0.11999999731779099,
0.41971... | [
-668084.75
] | [
8.370490074157715,
28.962963104248047,
-11.264145851135254,
-168.00613403320312,
-31.631086349487305,
-27.720680236816406,
14.813820838928223,
22.02115821838379,
-11.652360916137695,
0.044733911752700806,
4.825016975402832,
4.39716100692749,
27.539579391479492,
89.43922424316406,
-40.088... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
0.14521299302577972,
0.9033420085906982,
5.529460906982422,
2.051815986633301,
-4.190363883972168,
-0.6118419766426086,
1.4826639890670776,
-1.9244569540023804,
-0.469325989484787,
-0.10528600215911865,
1.4616810083389282,
4.459234237670898,
0.672078013420105,
-0.5596299767494202,
2.9177... | [
-668163.375
] | [
-0.927935779094696,
10.648076057434082,
-5.374205112457275,
-3.4303040504455566,
-70.58103942871094,
45.72702407836914,
-23.721330642700195,
35.088443756103516,
10.233199119567871,
2.8690857887268066,
-22.93531608581543,
64.32646179199219,
-12.433731079101562,
9.042454719543457,
-7.68364... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
2.08768892288208,
3.0642690658569336,
0.8329370021820068,
-1.0026789903640747,
0.4250519871711731,
2.885417938232422,
-1.4289220571517944,
0.5708140134811401,
0.5617190003395081,
4.020648956298828,
-0.9429159760475159,
-1.447836995124817,
1.0270990133285522,
2.3752620220184326,
0.5631690... | [
-668103.4375
] | [
-54.09221267700195,
-44.04835510253906,
23.05309295654297,
3.0506479740142822,
-3.391066312789917,
13.971044540405273,
7.187666893005371,
-14.11337947845459,
26.70707130432129,
-8.606884002685547,
-22.211883544921875,
30.772642135620117,
-19.120880126953125,
-11.540082931518555,
-38.0381... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
3.940951108932495,
-0.396791011095047,
-3.6828360557556152,
-0.93989497423172,
-1.1182379722595215,
0.15710100531578064,
3.101454019546509,
-0.9905279874801636,
-4.255210876464844,
0.38643398880958557,
-0.840474009513855,
0.011858000420033932,
0.8882589936256409,
-1.4595069885253906,
-1.... | [
-668075.375
] | [
66.93445587158203,
51.74153518676758,
45.80009078979492,
12.638256072998047,
17.889095306396484,
-7.220728874206543,
-36.58298873901367,
-36.94123840332031,
24.3433837890625,
-33.81979751586914,
-11.79253101348877,
15.664441108703613,
-16.359315872192383,
5.91461706161499,
-10.8106861114... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-4.364593982696533,
1.8210599422454834,
-2.8790550231933594,
3.175014019012451,
-1.2684359550476074,
-3.8333868980407715,
1.8931549787521362,
-0.8919240236282349,
-1.9151649475097656,
-3.852994918823242,
1.371711015701294,
-1.825834035873413,
-1.4427000284194946,
0.5524960160255432,
-2.6... | [
-668177.5
] | [
39.41276550292969,
-22.293378829956055,
24.841026306152344,
1.006970763206482,
3.936176300048828,
-45.059715270996094,
-43.25920867919922,
17.55072021484375,
33.33037185668945,
-51.14316940307617,
30.314430236816406,
-57.20356369018555,
-1.7879358530044556,
2.342959403991699,
18.00237655... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-3.6592719554901123,
0.12090200185775757,
-3.613809108734131,
-1.704079031944275,
-4.293025016784668,
2.4719419479370117,
-2.6673901081085205,
-2.4766509532928467,
1.3049579858779907,
-2.567318916320801,
0.5933700203895569,
-3.2806499004364014,
-2.381373882293701,
-0.9562429785728455,
-1... | [
-668164.3125
] | [
18.47676658630371,
19.508949279785156,
-0.05823804438114166,
66.45320892333984,
-5.8721513748168945,
7.3353776931762695,
11.605321884155273,
26.15372085571289,
-21.503829956054688,
-37.25465774536133,
-27.451213836669922,
-7.452242374420166,
39.496578216552734,
24.931095123291016,
1.0753... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:25... | [
2.6272308826446533,
3.154010057449341,
1.3144619464874268,
-0.6735820174217224,
1.5253490209579468,
3.1134510040283203,
-0.8922820091247559,
1.3239840269088745,
0.7922390103340149,
3.7573370933532715,
-1.0631400346755981,
-0.6506220102310181,
1.41845703125,
3.016900062561035,
0.904339015... | [
-668148.6875
] | [
13.579736709594727,
17.434114456176758,
-5.634264945983887,
-24.688886642456055,
-41.44135284423828,
60.07725143432617,
37.13496017456055,
36.373477935791016,
-6.7890543937683105,
7.757056713104248,
4.901379108428955,
4.3639068603515625,
80.53268432617188,
10.171294212341309,
-37.6315307... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-1.1236059665679932,
2.931528091430664,
1.8567390441894531,
-0.8005769848823547,
-1.036916971206665,
0.4922569990158081,
-2.6540520191192627,
-0.1754470020532608,
-0.696636974811554,
3.8779349327087402,
1.5308109521865845,
2.0465478897094727,
-0.9347389936447144,
1.680446982383728,
1.679... | [
-668154.6875
] | [
-11.46481704711914,
39.24457931518555,
16.73948097229004,
-4.596193790435791,
0.8365789651870728,
13.334120750427246,
-12.595491409301758,
-9.913886070251465,
-5.990303039550781,
-2.4043304920196533,
7.940134525299072,
-0.7076529264450073,
-0.6254660487174988,
58.31185531616211,
16.57099... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-2.3371129035949707,
0.766601026058197,
0.5325149893760681,
0.15384000539779663,
-1.9851150512695312,
1.7834769487380981,
0.7209140062332153,
-0.03484199941158295,
2.946535110473633,
0.8299059867858887,
2.9686288833618164,
-2.6464149951934814,
-1.7111400365829468,
0.742605984210968,
1.67... | [
-668150.1875
] | [
-10.741880416870117,
3.5325536727905273,
18.49951171875,
55.549381256103516,
-52.16754150390625,
-12.312115669250488,
-68.80704498291016,
24.17050552368164,
-1.0015954971313477,
-5.5439019203186035,
-10.039642333984375,
1.4446324110031128,
-38.962669372558594,
80.8685073852539,
-60.71056... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
3.919140100479126,
2.552885055541992,
-3.120826005935669,
-2.9793760776519775,
-1.6591500043869019,
-3.291964054107666,
-1.7988200187683105,
-0.7050589919090271,
-1.468832015991211,
3.539196014404297,
2.3133718967437744,
-1.9892350435256958,
1.3079739809036255,
0.953836977481842,
-2.4874... | [
-668166.75
] | [
-18.211790084838867,
-2.5315167903900146,
-29.56393051147461,
-25.835973739624023,
-1.8456308841705322,
5.144127368927002,
-2.4848713874816895,
21.59685516357422,
23.73411750793457,
-14.5194730758667,
-12.147263526916504,
-47.37013626098633,
10.468137741088867,
11.355118751525879,
17.861... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
2.3583269119262695,
-1.3540949821472168,
0.2899380028247833,
2.3022310733795166,
1.2218619585037231,
3.7146410942077637,
0.15699100494384766,
1.1685700416564941,
2.6381359100341797,
1.5652409791946411,
-0.2626659870147705,
-3.8335700035095215,
1.4998259544372559,
-1.0558459758758545,
1.2... | [
-668151.75
] | [
11.067503929138184,
-11.637761116027832,
10.334174156188965,
24.2769832611084,
53.015872955322266,
43.559207916259766,
55.37974166870117,
-36.79016876220703,
-14.317773818969727,
-15.07872200012207,
-1.7381610870361328,
1.7200974225997925,
18.684507369995117,
-31.727367401123047,
-102.37... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.43098801374435425,
-1.3382309675216675,
-0.22567400336265564,
0.6985740065574646,
-0.6037420034408569,
3.8527181148529053,
2.412652015686035,
0.06438399851322174,
2.4307849407196045,
-2.9150660037994385,
2.052341938018799,
-2.6223440170288086,
0.58747798204422,
-0.8812509775161743,
0.... | [
-668153
] | [
-32.92306137084961,
-24.668912887573242,
-18.48290252685547,
-22.49825096130371,
14.08259105682373,
90.47454071044922,
-2.29425311088562,
4.640044212341309,
-20.294939041137695,
-8.880791664123535,
10.21749210357666,
-7.911429405212402,
-27.24803352355957,
7.69278621673584,
-70.152656555... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
2.51784610748291,
3.1495800018310547,
-3.776334047317505,
-3.47965407371521,
-1.7741420269012451,
-2.726814031600952,
-2.1394879817962646,
-0.8900499939918518,
-1.0526909828186035,
2.620577096939087,
2.6728920936584473,
-2.6671969890594482,
0.3834590017795563,
1.3185909986495972,
-2.6841... | [
-668131.5
] | [
5.792116641998291,
-5.978296756744385,
-26.97426986694336,
-33.325740814208984,
15.56237506866455,
-37.79682922363281,
98.33826446533203,
91.72764587402344,
4.12244987487793,
-2.7172436714172363,
65.6928482055664,
-18.468332290649414,
40.322845458984375,
-18.227819442749023,
46.576801300... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-1.1430219411849976,
-0.549360990524292,
2.5083460807800293,
-0.5950139760971069,
3.843280076980591,
2.7785239219665527,
1.0844160318374634,
2.877810001373291,
1.5051939487457275,
1.557446002960205,
-3.1159629821777344,
-1.679123044013977,
-0.2491450011730194,
0.40657299757003784,
2.2264... | [
-668112.9375
] | [
37.64212417602539,
52.14788818359375,
-7.858962535858154,
-33.527652740478516,
115.81686401367188,
20.97671890258789,
21.965234756469727,
-2.949105978012085,
-0.385588675737381,
-27.844627380371094,
11.560912132263184,
4.512190341949463,
-31.863845825195312,
-108.35456085205078,
21.67309... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-3.518385887145996,
-0.5191500186920166,
-4.32089376449585,
0.8608670234680176,
-1.1105740070343018,
0.1769929975271225,
-3.1590089797973633,
-1.6994030475616455,
-4.1286821365356445,
-0.163674995303154,
-0.46056699752807617,
-0.3320840001106262,
-0.9013620018959045,
-1.2401349544525146,
... | [
-668119.125
] | [
3.7557406425476074,
-35.59955978393555,
18.633554458618164,
8.477433204650879,
-14.550710678100586,
-17.599319458007812,
10.775039672851562,
77.34477233886719,
-17.336252212524414,
-19.773069381713867,
3.4505045413970947,
-10.051981925964355,
33.28535842895508,
-22.825204849243164,
20.53... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-3.243705987930298,
3.0969059467315674,
3.076024055480957,
-1.6328150033950806,
1.2345750331878662,
-4.3622260093688965,
-2.553525924682617,
0.5769069790840149,
-2.3171420097351074,
-2.4511098861694336,
2.1238200664520264,
3.1694610118865967,
-2.2582809925079346,
1.377722978591919,
0.597... | [
-668103.25
] | [
5.967206954956055,
-60.69974136352539,
2.851802349090576,
76.0002212524414,
20.663005828857422,
-64.40190887451172,
48.85671615600586,
-8.104671478271484,
31.264999389648438,
6.7684197425842285,
100.38749694824219,
11.112297058105469,
31.109390258789062,
33.6717414855957,
15.292637825012... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
2.5264461040496826,
0.5194640159606934,
4.52561616897583,
0.19996799528598785,
1.8497509956359863,
-1.2795419692993164,
3.002034902572632,
1.527858018875122,
4.007627010345459,
0.40338999032974243,
0.9456490278244019,
-0.34142500162124634,
1.2716230154037476,
1.5322810411453247,
0.674088... | [
-668118.8125
] | [
-9.063457489013672,
9.699673652648926,
1.675022006034851,
4.467253684997559,
-7.335751056671143,
-15.196860313415527,
-1.8917865753173828,
-47.004615783691406,
9.259847640991211,
28.524988174438477,
43.02503967285156,
28.841215133666992,
1.0902639627456665,
-47.690948486328125,
20.743391... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
5.059445858001709,
1.3417609930038452,
-0.7860649824142456,
-1.3671929836273193,
-1.0952399969100952,
-4.925588130950928,
-1.1252670288085938,
-0.3298940062522888,
-2.707473039627075,
4.122521877288818,
1.2202500104904175,
0.008065000176429749,
2.317234992980957,
0.2731109857559204,
-1.7... | [
-668169.75
] | [
-15.280632019042969,
6.514654159545898,
8.98369026184082,
22.400453567504883,
-13.689303398132324,
-22.377134323120117,
7.858392238616943,
16.040334701538086,
40.227481842041016,
33.451332092285156,
-21.303768157958984,
-48.713077545166016,
23.403045654296875,
8.364879608154297,
3.808545... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.22257499396800995,
1.1286070346832275,
2.360265016555786,
2.705207109451294,
-0.4763309955596924,
-0.23143400251865387,
3.453680992126465,
-0.6725450158119202,
2.0500800609588623,
-4.2368340492248535,
2.717190980911255,
0.6888459920883179,
0.5768370032310486,
0.778190016746521,
1.3725... | [
-668078.75
] | [
-18.444049835205078,
-4.703751087188721,
4.042153358459473,
-40.19086456298828,
2.2529876232147217,
12.217140197753906,
-3.5350024700164795,
-22.712289810180664,
-44.11684799194336,
0.21172122657299042,
26.181766510009766,
-4.665131568908691,
-118.2337875366211,
94.51292419433594,
88.702... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-6.334589004516602,
1.370393991470337,
0.8018500208854675,
0.2286510020494461,
0.02283499948680401,
1.6661510467529297,
-5.417304992675781,
0.7909240126609802,
0.246505007147789,
-0.5059559941291809,
0.0357929989695549,
0.6394640207290649,
-1.7985750436782837,
0.6771209836006165,
0.87671... | [
-668076.375
] | [
-12.265326499938965,
-7.643728733062744,
0.8704661726951599,
10.690168380737305,
2.3906068801879883,
72.90756225585938,
2.3347582817077637,
30.661991119384766,
9.320409774780273,
-78.56426239013672,
56.31520080566406,
-39.72673416137695,
7.333963871002197,
-35.61521530151367,
-47.4757652... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-5.064356803894043,
-3.182590961456299,
2.6543920040130615,
-0.24804799258708954,
0.9468160271644592,
0.831587016582489,
-4.2569899559021,
-3.05603289604187,
1.8016730546951294,
-0.45878100395202637,
-0.22763200104236603,
0.3763769865036011,
-1.311676025390625,
-1.0203399658203125,
1.199... | [
-668072.875
] | [
-52.503482818603516,
-14.002591133117676,
53.171348571777344,
-2.4862303733825684,
44.3831901550293,
24.016742706298828,
39.68564987182617,
32.649452209472656,
-48.7252197265625,
-32.82194519042969,
-34.59874725341797,
29.373693466186523,
-22.619850158691406,
-49.45936965942383,
-8.07497... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
3.2361180782318115,
2.346292018890381,
3.348557949066162,
-1.6808710098266602,
1.322111964225769,
-0.6390429735183716,
2.3310399055480957,
3.162024974822998,
3.455575942993164,
-0.6539499759674072,
0.7809000015258789,
0.01987599954009056,
-0.1759600043296814,
1.7023169994354248,
1.044253... | [
-668118
] | [
-2.7936010360717773,
9.80256462097168,
1.5281403064727783,
24.40276336669922,
-10.739907264709473,
1.1108901500701904,
0.6380096673965454,
-35.89794158935547,
-18.612524032592773,
7.869226932525635,
27.623552322387695,
32.14774703979492,
-4.996644496917725,
16.34796905517578,
-10.2347316... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
3.186656951904297,
-5.291799068450928,
2.452143907546997,
-0.4570919871330261,
0.4125460088253021,
1.590967059135437,
2.8757998943328857,
-4.474757194519043,
1.6760319471359253,
0.25968998670578003,
-0.2842540144920349,
0.8038750290870667,
1.1054489612579346,
-1.1571120023727417,
1.50988... | [
-668073.6875
] | [
18.96001625061035,
-54.4954948425293,
95.12043762207031,
-29.360944747924805,
15.738720893859863,
38.560546875,
9.162260055541992,
49.281856536865234,
-68.65474700927734,
26.997533798217773,
-12.485515594482422,
-25.230186462402344,
26.387840270996094,
-55.02191162109375,
-6.593186378479... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
0.04364800080657005,
-1.0349290370941162,
-2.032072067260742,
-0.5911970138549805,
-0.4332619905471802,
1.9271750450134277,
1.4186700582504272,
-1.594107985496521,
2.0415968894958496,
2.014425039291382,
1.3829280138015747,
-1.3147640228271484,
-0.3726530075073242,
-0.5733519792556763,
-0... | [
-668092.375
] | [
-13.138993263244629,
48.603424072265625,
-5.3545145988464355,
-109.70466613769531,
106.19630432128906,
98.97163391113281,
11.466622352600098,
2.206388473510742,
24.53432846069336,
-79.84758758544922,
6.368813514709473,
68.22674560546875,
66.9242172241211,
-90.03546142578125,
-78.42800140... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.2789419889450073,
-0.5149199962615967,
3.6782429218292236,
0.6853700280189514,
3.1042840480804443,
2.3071889877319336,
1.9785280227661133,
1.4112190008163452,
1.1750149726867676,
0.7027519941329956,
-1.2167140245437622,
-0.4257330000400543,
0.8200730085372925,
-0.05825899913907051,
3.... | [
-668088.1875
] | [
-0.20084251463413239,
25.011388778686523,
28.72083854675293,
-16.291061401367188,
50.9597282409668,
-82.70506286621094,
-47.27272415161133,
27.769927978515625,
14.334193229675293,
-24.29868507385254,
5.160324573516846,
-21.072965621948242,
-37.23924255371094,
-166.99908447265625,
-11.888... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-3.6603410243988037,
3.6339099407196045,
-1.939342975616455,
-0.1773570030927658,
-3.38037109375,
-3.2009799480438232,
0.5206279754638672,
-1.5169039964675903,
-1.9200279712677002,
-2.947319984436035,
3.464716911315918,
-0.980105996131897,
-1.8070189952850342,
1.344349980354309,
-1.95399... | [
-668164.3125
] | [
-15.512137413024902,
4.988090991973877,
-25.552642822265625,
-18.52910041809082,
-26.032106399536133,
-30.90975570678711,
-25.975175857543945,
32.254207611083984,
9.458520889282227,
-15.04355239868164,
-3.1976542472839355,
-11.245584487915039,
-9.336996078491211,
-8.564059257507324,
17.7... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-4.614861011505127,
2.414944887161255,
1.0966529846191406,
1.788877010345459,
3.4287099838256836,
-3.5234670639038086,
1.4113290309906006,
1.9984769821166992,
-1.6714119911193848,
-3.9862139225006104,
1.3689090013504028,
1.0158510208129883,
-2.0174660682678223,
2.122148036956787,
-0.5781... | [
-668098
] | [
-23.130786895751953,
33.43955612182617,
-50.37050247192383,
-23.696584701538086,
31.57553482055664,
-22.603822708129883,
-45.36470413208008,
-8.015458106994629,
12.832018852233887,
-10.1054105758667,
85.00418090820312,
67.58523559570312,
12.835088729858398,
-75.0318603515625,
15.78244686... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.38667699694633484,
1.7130860090255737,
2.524916887283325,
2.9017748832702637,
0.21323299407958984,
0.49343499541282654,
3.320380926132202,
-0.7231969833374023,
2.5879058837890625,
-4.3806939125061035,
2.6746959686279297,
0.26973000168800354,
0.5906879901885986,
1.4134939908981323,
1.7... | [
-668149.9375
] | [
-9.306218147277832,
-18.248167037963867,
45.10354995727539,
42.9374885559082,
-17.319581985473633,
-43.01813888549805,
-1.7315608263015747,
-5.951652526855469,
30.766250610351562,
-9.149459838867188,
-1.9886646270751953,
-6.583674907684326,
-46.5268669128418,
60.7463264465332,
2.74209380... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-1.8475619554519653,
-3.909888982772827,
3.1343109607696533,
3.543459892272949,
-2.2498819828033447,
-2.6567649841308594,
2.6057159900665283,
-1.2138140201568604,
-0.8209879994392395,
-1.7347700595855713,
-2.7731759548187256,
2.877264976501465,
0.10014499723911285,
-2.887610912322998,
0.... | [
-668109.3125
] | [
-0.19097647070884705,
-133.91029357910156,
-9.8401517868042,
28.86245346069336,
-45.036781311035156,
-20.239288330078125,
-47.13888931274414,
-8.349809646606445,
28.606197357177734,
3.1126046180725098,
27.00179672241211,
57.0367546081543,
-33.822139739990234,
-3.9036433696746826,
17.3410... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
3.087580919265747,
-0.5309720039367676,
-0.9811499714851379,
0.19230300188064575,
-2.5489730834960938,
1.3112529516220093,
-0.6722819805145264,
-0.7879739999771118,
0.04237399995326996,
3.4584319591522217,
2.8725409507751465,
1.114395022392273,
1.8628020286560059,
-0.7370380163192749,
-1... | [
-668081.5
] | [
52.260990142822266,
23.689523696899414,
-11.019867897033691,
-50.10879898071289,
-50.91295623779297,
32.82233810424805,
21.524919509887695,
-17.132640838623047,
-43.86378860473633,
-49.19791793823242,
-2.0440661907196045,
-14.401886940002441,
39.32160568237305,
59.74544906616211,
-14.774... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-1.0785930156707764,
1.1490130424499512,
-1.8832180500030518,
-0.05476899817585945,
-1.2671270370483398,
1.2732950448989868,
-2.358642101287842,
-1.6276860237121582,
1.2251169681549072,
3.5409200191497803,
3.8593380451202393,
-1.0004019737243652,
-0.6351119875907898,
0.6888890266418457,
... | [
-668149.6875
] | [
-18.078624725341797,
2.7113609313964844,
-0.23713693022727966,
46.039493560791016,
-8.28742790222168,
23.01723289489746,
-4.8741631507873535,
11.772392272949219,
-9.589849472045898,
15.80633544921875,
2.6951956748962402,
-14.490697860717773,
22.997894287109375,
36.48311233520508,
-79.246... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
3.607745885848999,
2.047123908996582,
3.1733078956604004,
-1.44977605342865,
-1.1227519512176514,
1.3503299951553345,
3.4852559566497803,
0.9344469904899597,
3.7161989212036133,
-0.3552060127258301,
-0.6321679949760437,
0.8216829895973206,
0.6243929862976074,
-0.7312750220298767,
1.87939... | [
-668068.125
] | [
-17.06975555419922,
-51.3329963684082,
-5.598864555358887,
-46.15675735473633,
-1.6805965900421143,
-36.44349670410156,
-26.223054885864258,
34.08442687988281,
-31.01251220703125,
33.533878326416016,
-14.873127937316895,
74.68948364257812,
57.10319900512695,
57.53877639770508,
-7.4723777... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-0.49355998635292053,
-4.759171962738037,
1.983456015586853,
4.850461959838867,
0.7437250018119812,
1.9522980451583862,
3.5307199954986572,
-1.108646035194397,
1.3660850524902344,
-1.057108998298645,
-3.821810007095337,
1.455399990081787,
0.853085994720459,
-2.2251319885253906,
1.4017709... | [
-668111.3125
] | [
42.5973014831543,
5.732463836669922,
54.13270950317383,
-15.490750312805176,
74.71285247802734,
-20.72734832763672,
-23.03126335144043,
17.436506271362305,
-38.76609420776367,
59.15080642700195,
-23.180112838745117,
-8.627622604370117,
57.898582458496094,
40.54035949707031,
28.2281303405... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-2.7947371006011963,
3.350663900375366,
4.443921089172363,
-2.1434500217437744,
-0.6768689751625061,
-0.6861299872398376,
-1.9267610311508179,
2.908845901489258,
3.7086760997772217,
-1.2489440441131592,
0.1452990025281906,
-0.15835200250148773,
-1.8920220136642456,
1.2275409698486328,
0.... | [
-668114.6875
] | [
7.760773181915283,
-4.600512504577637,
12.077068328857422,
18.426742553710938,
-11.628877639770508,
3.230060338973999,
-32.71030044555664,
13.219077110290527,
-11.910828590393066,
-0.4654145836830139,
47.25213623046875,
8.483983039855957,
-13.684662818908691,
-30.350828170776367,
-10.865... |
[H:27][c:12]1[c:10]([n:2][c:9]([n:3][c:11]1[C:7]2=[C:5]([C:6]3=[C:8]([N:16]2[C:24]4([C:22]([C:20]([N:15]([C:21]([C:23]4([H:44])[H:45])([H:40])[H:41])[C:17]([H:31])([H:32])[H:33])([H:38])[H:39])([H:42])[H:43])[H:46])[C:18]([C:19]([N:14]([C:4]3=[O:1])[H:30])([H:36])[H:37])([H:34])[H:35])[H:25])[N:13]([H:28])[H:29])[H:26] | [
-0.03503800183534622,
0.5635359883308411,
5.509774208068848,
-0.1721770018339157,
-4.659386157989502,
-0.688139021396637,
1.0999350547790527,
-2.7276570796966553,
-0.004685999825596809,
0.05912800133228302,
1.1415369510650635,
4.440299034118652,
0.32116198539733887,
-0.921750009059906,
2... | [
-668122.5
] | [
-4.378859043121338,
-19.348827362060547,
-4.786537170410156,
28.23221778869629,
38.99848175048828,
20.50462532043457,
-12.216821670532227,
24.0498046875,
16.3804874420166,
17.20882225036621,
5.046136856079102,
44.09648513793945,
-24.0168514251709,
-11.236127853393555,
-10.638423919677734... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
1.450166940689087,
5.361279010772705,
2.3817250728607178,
0.4956290125846863,
0.36211198568344116,
-1.453266978263855,
0.45709899067878723,
4.771215915679932,
2.082515001296997,
-0.2200150042772293,
0.8571540117263794,
-0.4954789876937866,
-0.07697899639606476,
2.269531011581421,
-0.4247... | [
-668073.3125
] | [
65.72698211669922,
36.15523910522461,
-7.875837802886963,
17.704607009887695,
20.614999771118164,
-30.162662506103516,
11.707073211669922,
3.8069100379943848,
-18.57603645324707,
-16.73712730407715,
3.730738878250122,
37.78427505493164,
-47.06505584716797,
-2.4412128925323486,
52.3684692... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
1.7833460569381714,
-1.8973029851913452,
0.4168640077114105,
1.9224900007247925,
0.6915130019187927,
2.539154052734375,
0.1554819941520691,
0.000582000007852912,
3.8611159324645996,
1.8655099868774414,
0.48587098717689514,
-2.958976984024048,
0.9859939813613892,
-1.622763991355896,
1.385... | [
-668071.375
] | [
30.238327026367188,
-12.501925468444824,
-14.1823148727417,
35.50052261352539,
109.42269134521484,
-31.996349334716797,
7.836845874786377,
-14.131805419921875,
-7.925660133361816,
-6.1664719581604,
50.355438232421875,
35.366512298583984,
20.92884635925293,
-28.381847381591797,
-125.36853... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.9945889711380005,
-0.6413919925689697,
2.915411949157715,
-0.330716997385025,
3.5803050994873047,
3.0429201126098633,
0.9285989999771118,
2.5583651065826416,
1.3405369520187378,
1.5169600248336792,
-2.9469780921936035,
-1.3434170484542847,
-0.0332689993083477,
0.17389799654483795,
2.6... | [
-668154.75
] | [
14.02231216430664,
1.8161003589630127,
4.868438243865967,
-22.47548484802246,
60.20127487182617,
19.91933822631836,
-19.461706161499023,
-24.986988067626953,
26.6816463470459,
9.829270362854004,
11.930893898010254,
-14.144194602966309,
-34.058204650878906,
-91.43183135986328,
-4.16018867... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
-2.7126541137695312,
-0.19195200502872467,
-4.888560771942139,
1.4912099838256836,
-0.8722050189971924,
-0.12874899804592133,
-2.234257936477661,
-1.3456989526748657,
-4.642367839813232,
0.4988560080528259,
-0.30789899826049805,
-0.5855439901351929,
-0.14770099520683289,
-1.086424946784973... | [
-668048.875
] | [
51.71954345703125,
-52.19142150878906,
30.05451774597168,
83.64746856689453,
-44.909175872802734,
73.42527770996094,
-70.96923065185547,
84.46710968017578,
-17.8088436126709,
-118.67376708984375,
41.63269805908203,
-80.07977294921875,
-8.772649765014648,
-29.269620895385742,
-14.16483402... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:2... | [
-0.6542779803276062,
0.4338870048522949,
-2.1750359535217285,
-0.10630299896001816,
-2.22340989112854,
0.9506790041923523,
-2.286694049835205,
-1.2832449674606323,
0.7845820188522339,
2.9712729454040527,
4.158939838409424,
-1.6217659711837769,
-0.12986500561237335,
-0.5035880208015442,
-... | [
-668103.8125
] | [
19.655393600463867,
-1.9703696966171265,
-25.22609519958496,
33.07439422607422,
12.627143859863281,
49.277008056640625,
32.894561767578125,
3.417583703994751,
-3.6754202842712402,
-16.438934326171875,
-22.46076202392578,
-7.114462375640869,
64.06088256835938,
66.31446838378906,
-65.03954... |
[H:26][c:8]1[c:7]([c:9]([c:12]2[c:13]([c:11]1[H:28])[c:10]([n:2][c:6]([n:3]2)[N:14]([H:29])[C:5]3=[N:1][C:18]([N:16]([C:19]([N:15]3[H:30])([H:36])[H:37])[C:21]([H:40])([H:41])[C@:24]4([C:23]([C:22]([C:20]([O:4]4)([H:38])[H:39])([H:42])[H:43])([H:44])[H:45])[H:46])([H:34])[H:35])[C:17]([H:31])([H:32])[H:33])[H:27])[H:25... | [
1.0399149656295776,
2.4953420162200928,
-1.5626410245895386,
3.4577410221099854,
2.1879899501800537,
2.0267319679260254,
2.5000040531158447,
0.13462600111961365,
1.519713044166565,
-3.0679728984832764,
-0.557578980922699,
-0.6200640201568604,
1.518792986869812,
1.5805189609527588,
-0.810... | [
-668155.875
] | [
-18.915935516357422,
26.080615997314453,
-43.536041259765625,
42.250125885009766,
45.132102966308594,
61.86418914794922,
-23.619050979614258,
8.669519424438477,
-31.07822608947754,
-3.691319704055786,
-5.2035393714904785,
1.0311294794082642,
-70.30149841308594,
-17.095876693725586,
-67.3... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
0.6810600161552429,
1.5860949754714966,
5.3682098388671875,
-0.5652869939804077,
1.2680540084838867,
-0.9909189939498901,
0.37136998772621155,
2.6565749645233154,
4.786479949951172,
-0.34998801350593567,
0.6736369729042053,
0.13662700355052948,
-0.1194010004401207,
1.6281160116195679,
1.... | [
-668090.375
] | [
-10.83195686340332,
38.15272903442383,
-49.232460021972656,
27.812686920166016,
17.129594802856445,
-45.574501037597656,
0.9127086400985718,
-31.64632797241211,
48.22090530395508,
-13.391822814941406,
-30.16521644592285,
29.129613876342773,
-2.152040958404541,
-27.39040184020996,
66.8751... |
[H:26][c:8]1[c:7]([c:10]([c:9]([c:12]2[c:11]1[N:14]([N:16]([C:22]2([H:41])[H:42])[C:20]([H:36])([H:37])[H:38])[H:29])[H:27])[N:13]([H:28])[C:4]3=[N:2][N:15]([C:6]4=[C:5]3[C:21]([N:17]([C:24]([C:23]4([H:43])[H:44])([H:45])[H:46])[C:3](=[O:1])[C:18]([H:30])([H:31])[H:32])([H:39])[H:40])[C:19]([H:33])([H:34])[H:35])[H:25] | [
2.2160120010375977,
4.9076337814331055,
1.3444960117340088,
0.6513429880142212,
-0.8547189831733704,
-1.2387449741363525,
3.1326820850372314,
4.146856784820557,
0.9458490014076233,
0.5600360035896301,
0.024133000522851944,
-0.2742510139942169,
1.6466350555419922,
0.9384999871253967,
-0.0... | [
-668047.1875
] | [
51.71131896972656,
-49.40394592285156,
-38.10542678833008,
31.976119995117188,
24.88555908203125,
11.566305160522461,
-2.0933618545532227,
-2.4027745723724365,
59.405094146728516,
-37.497806549072266,
75.5394515991211,
46.89654541015625,
-13.992441177368164,
-10.408803939819336,
35.72793... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.