smiles stringlengths 10 447 | coords listlengths 6 189 | energy listlengths 1 1 | forces listlengths 6 189 |
|---|---|---|---|
[H:13][C-:2]([C@:8]1([C@:5]([C:7]1([H:21])[H:22])([C:6]([H:18])([H:19])[H:20])[C:4]([H:16])([H:17])[C+:3]([H:14])[H:15])[C:9]([H:23])([H:24])[H:25])[C:1]([H:10])([H:11])[H:12] | [
-2.5943470001220703,
-0.07977800071239471,
-0.5216479897499084,
-1.104511022567749,
-0.28597500920295715,
-0.6298270225524902,
-0.5601300001144409,
-1.6019699573516846,
0.4512070119380951,
0.5747169852256775,
-0.7914310097694397,
1.2134850025177002,
1.1275709867477417,
-0.01826499961316585... | [
-221012.03125
] | [
-1.9623844623565674,
9.725403785705566,
-97.77862548828125,
29.568607330322266,
-20.89876365661621,
20.032482147216797,
-43.00605392456055,
14.253643989562988,
19.566932678222656,
-7.313787460327148,
-65.12017059326172,
74.913330078125,
45.40480041503906,
38.76057434082031,
-33.672309875... |
[H:23][C@@:8]12[C@@:2]([C:3]([C:4]([C@:5]([C:9]1([H:24])[H:25])([C:6]([C:7]2([H:21])[H:22])([H:19])[H:20])[H:18])([H:16])[H:17])([H:14])[H:15])([H:13])[C:1]([H:10])([H:11])[H:12] | [
2.455713987350464,
-1.0489749908447266,
-0.48033401370048523,
1.4464069604873657,
-0.28316599130630493,
0.40860098600387573,
1.2231550216674805,
1.3003569841384888,
0.20098400115966797,
-0.060965001583099365,
1.4700820446014404,
-0.8717589974403381,
-1.336630940437317,
0.9136300086975098,
... | [
-221039
] | [
28.31110191345215,
56.074214935302734,
-29.40755271911621,
77.4216079711914,
-17.899171829223633,
100.58839416503906,
39.28180694580078,
10.176411628723145,
-71.50135040283203,
55.565208435058594,
35.303253173828125,
19.05047035217285,
-45.55314636230469,
-1.529687762260437,
21.331695556... |
[H:13][C@@:2]1([C@:8]2([C@@:5]([C:7]2([H:21])[H:22])([C:4]([C:3]1([H:14])[H:15])([H:16])[H:17])[C:6]([H:18])([H:19])[H:20])[C:9]([H:23])([H:24])[H:25])[C:1]([H:10])([H:11])[H:12] | [
-2.4297900199890137,
-0.29325199127197266,
-0.8556470274925232,
-0.9568899869918823,
-0.4045790135860443,
-0.5789719820022583,
-0.7103930115699768,
-1.2136329412460327,
0.8489440083503723,
0.6545569896697998,
-0.631945013999939,
1.426561951637268,
1.2444230318069458,
0.02930399961769581,
... | [
-221131.453125
] | [
-0.4704412817955017,
13.510071754455566,
-31.91010093688965,
25.50581932067871,
-27.52311897277832,
16.58667755126953,
31.610918045043945,
12.205755233764648,
-15.492393493652344,
23.55443000793457,
-13.121830940246582,
1.9808322191238403,
5.069433689117432,
-17.65153694152832,
-12.34598... |
[H:19][C@@:6]1([C@@:8]([C:7]1([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12] | [
-2.2214269638061523,
-1.6078150272369385,
0.3220829963684082,
-1.3276909589767456,
-0.4032459855079651,
0.8879960179328918,
-0.6205360293388367,
0.43501898646354675,
-0.17851600050926208,
-0.383107990026474,
1.9522939920425415,
0.2989479899406433,
-1.3606690168380737,
1.5950490236282349,
... | [
-221122.15625
] | [
36.51404571533203,
35.04386520385742,
-31.953296661376953,
18.18326187133789,
-46.8904914855957,
-19.649232864379883,
30.33653450012207,
13.373353004455566,
45.699527740478516,
15.718583106994629,
-40.03755187988281,
-15.411466598510742,
-34.29226303100586,
-1.8451470136642456,
-27.26282... |
[H:13][C:2](=[C:3]([C:5](=[C:7]([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:6]([H:17])([H:18])[H:19])[C:4]([H:14])([H:15])[H:16])[C:1]([H:10])([H:11])[H:12] | [
3.220160961151123,
-0.6063089966773987,
-0.6636160016059875,
1.5873099565505981,
-0.6354789733886719,
-0.43674901127815247,
0.8215799927711487,
0.19409500062465668,
0.231904998421669,
1.4307210445404053,
1.0573559999465942,
1.2153480052947998,
-0.5795810222625732,
0.5107570290565491,
0.0... | [
-221109.328125
] | [
34.190521240234375,
-2.645639181137085,
8.667330741882324,
57.40007019042969,
-5.934711933135986,
-80.84535217285156,
32.038902282714844,
24.086162567138672,
7.418996810913086,
-22.655031204223633,
16.476686477661133,
76.24552917480469,
-27.193737030029297,
8.70870304107666,
-58.89889907... |
[H:17][C:5]1([C@@:3]2([C@:8]([C:2]2([H:13])[C:1]([H:10])([H:11])[H:12])([C:7]([C:6]1([H:19])[H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:4]([H:14])([H:15])[H:16])[H:18] | [
2.474147081375122,
0.19833099842071533,
0.4408940076828003,
1.3363089561462402,
0.41367900371551514,
-0.4690150022506714,
-0.007317999843508005,
0.74338698387146,
0.10661999881267548,
-0.46499699354171753,
2.014599084854126,
-0.5510119795799255,
-0.8832629919052124,
0.4045819938182831,
1... | [
-221115.046875
] | [
33.46062088012695,
1.2214787006378174,
4.999774932861328,
-35.81769943237305,
22.610755920410156,
-9.381720542907715,
36.83984375,
-2.2355263233184814,
44.23210144042969,
-21.750276565551758,
-6.389499187469482,
-12.273165702819824,
9.878822326660156,
28.1048641204834,
-19.64281463623047... |
[H:17][C:5]1([C:4]([C:3]2([C:8]([C:6]1([C:9]2([H:24])[H:25])[C:7]([H:19])([H:20])[H:21])([H:22])[H:23])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])([H:15])[H:16])[H:18] | [
2.821141004562378,
-0.8838840126991272,
-0.08334799855947495,
2.011099100112915,
0.48544201254844666,
-0.001976999919861555,
0.5896300077438354,
0.24156999588012695,
0.0021909999195486307,
-0.06832700222730637,
1.651520013809204,
-0.009085999801754951,
-1.4834330081939697,
1.16747903823852... | [
-221151.640625
] | [
-13.12112045288086,
0.31561219692230225,
32.953369140625,
63.32954788208008,
-2.435331344604492,
43.840911865234375,
9.149003028869629,
64.97496032714844,
-33.790767669677734,
2.680490255355835,
1.9018090963363647,
106.80789947509766,
-36.18894577026367,
5.971888542175293,
-57.5785560607... |
[H:10][C:1]1([C:2]([C:3]2([C:4]([C:5]([C:6]([C:7]1([H:20])[H:21])([C:8]([C:9]2([H:24])[H:25])([H:22])[H:23])[H:19])([H:17])[H:18])([H:15])[H:16])[H:14])([H:12])[H:13])[H:11] | [
1.923225998878479,
0.560267984867096,
-0.13383999466896057,
0.6779189705848694,
1.3825769424438477,
-0.67848801612854,
-0.8164759874343872,
1.1398600339889526,
-0.17690500617027283,
-1.5793319940567017,
0.03851500153541565,
-1.051435947418213,
-1.0000859498977661,
-1.4026039838790894,
-0... | [
-221136.125
] | [
-27.49776840209961,
-19.296720504760742,
3.1288113594055176,
9.100738525390625,
19.530256271362305,
6.657995223999023,
-11.916667938232422,
12.529500961303711,
-21.26848602294922,
-13.482114791870117,
6.294764995574951,
29.924341201782227,
4.2526116371154785,
-13.574917793273926,
-7.2432... |
[H:25][C@:9]12[C@:7]([C:8]1([H:23])[H:24])([C:6]([C:5]([C@:3]2([C:4]([H:15])([H:16])[H:17])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])([H:18])[H:19])([H:20])[H:21])[H:22] | [
-1.934993028640747,
-1.5597959756851196,
0.686269998550415,
-1.7986500263214111,
-0.29446500539779663,
-0.08044300228357315,
-0.4792180061340332,
0.5578550100326538,
-0.20111200213432312,
-0.9388200044631958,
1.8018510341644287,
-1.0194050073623657,
0.18210799992084503,
1.0291889905929565,... | [
-221076.953125
] | [
43.32505798339844,
-4.983792304992676,
-91.0009765625,
-31.11908721923828,
67.25164794921875,
-50.10443878173828,
-41.36827850341797,
-20.106197357177734,
28.444320678710938,
49.5931396484375,
-38.89278793334961,
-32.52363204956055,
-14.767068862915039,
27.300251007080078,
30.56598663330... |
[H:25][C@:9]12[C@@:2]([C:3]([C:4]([C:5]([C@@:6]1([C:8]2([H:23])[H:24])[C:7]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])([H:13])[C:1]([H:10])([H:11])[H:12] | [
-2.5206570625305176,
-0.437175989151001,
0.2516460120677948,
-1.4096349477767944,
0.30340901017189026,
-0.5479230284690857,
-0.7234820127487183,
1.4079179763793945,
0.34091299772262573,
0.8143060207366943,
1.8012670278549194,
-0.05516999959945679,
1.90493905544281,
0.5527679920196533,
0.... | [
-221104.21875
] | [
-9.529769897460938,
8.572246551513672,
45.86381912231445,
55.89731979370117,
-52.737770080566406,
48.75537872314453,
2.255064010620117,
36.12486267089844,
-32.03266525268555,
13.265119552612305,
-32.42831802368164,
-4.811820030212402,
25.917373657226562,
32.1259765625,
-2.009568214416504... |
[H+:17].[H:18][C-:5]([C:6](=[C:7]([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[H:19])[C:3](=[C:4]([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12] | [
-2.289479970932007,
1.6586259603500366,
-0.5136650204658508,
-1.187919020652771,
1.1009279489517212,
0.1198040023446083,
-1.237481951713562,
-0.4731909930706024,
-0.06141100078821182,
-2.452910900115967,
-1.246840000152588,
0.40602999925613403,
-0.2415730059146881,
-1.364177942276001,
-0... | [
-221095.8125
] | [
-107.72055053710938,
18.003881454467773,
2.4832088947296143,
37.552406311035156,
-108.14374542236328,
89.54371643066406,
29.054447174072266,
-33.266510009765625,
-2.8822731971740723,
2.9085237979888916,
-21.089401245117188,
47.52861022949219,
21.585826873779297,
113.97172546386719,
-22.3... |
[H:24][C:9](=[C:7](/[C:5](=[C:3](/[C:4]([H:15])([H:16])[H:17])\[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])/[C:6]([H:18])([H:19])[H:20])[C:8]([H:21])([H:22])[H:23])[H:25] | [
2.4734859466552734,
-1.238644003868103,
-0.2920700013637543,
1.5174310207366943,
-0.8462430238723755,
0.7613499760627747,
0.7618870139122009,
0.4098210036754608,
0.275501012802124,
1.6328829526901245,
1.5166280269622803,
-0.01647699996829033,
-0.46944400668144226,
0.5437170267105103,
-0.... | [
-221055.8125
] | [
87.09978485107422,
6.526920318603516,
-11.265308380126953,
-50.13886260986328,
42.50050354003906,
5.193573474884033,
103.68157958984375,
-20.85435676574707,
37.885032653808594,
121.90711975097656,
29.991424560546875,
-80.81974029541016,
-32.17911911010742,
69.50054168701172,
-40.20407104... |
[H:24][C:9](=[C:8]([H:23])[C:5](=[C:6]([H:19])[C:7]([H:20])([H:21])[H:22])[C@@:3]([H:15])([C:4]([H:16])([H:17])[H:18])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:25] | [
-1.8984090089797974,
0.6279019713401794,
-1.5725070238113403,
-1.9561530351638794,
-0.4707379937171936,
-0.4146139919757843,
-0.5776569843292236,
-0.9509450197219849,
-0.0650549978017807,
-0.5240389704704285,
-1.8146940469741821,
1.1681849956512451,
0.6174430251121521,
-0.03309699892997742... | [
-221152.859375
] | [
-32.351478576660156,
-50.32278060913086,
-19.20890235900879,
8.136616706848145,
51.80339050292969,
-25.997207641601562,
38.07280731201172,
-21.441322326660156,
21.575956344604492,
4.18919038772583,
-50.768898010253906,
56.86326217651367,
-15.659120559692383,
51.65468978881836,
-10.201085... |
[H:25][C@:9]12[C@@:2]([C:3]([C:4]([C:5]([C@@:6]1([C:8]2([H:23])[H:24])[C:7]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])([H:13])[C:1]([H:10])([H:11])[H:12] | [
-2.390674114227295,
-0.49506399035453796,
0.3087790012359619,
-1.3149549961090088,
0.2090820074081421,
-0.5387189984321594,
-0.7921640276908875,
1.4294730424880981,
0.07064100354909897,
0.6984609961509705,
1.8365859985351562,
-0.09171199798583984,
1.759753942489624,
0.6840090155601501,
0... | [
-221139.671875
] | [
14.905974388122559,
0.8342903256416321,
26.077394485473633,
-19.160829544067383,
-97.57054901123047,
-51.173282623291016,
12.738173484802246,
56.66886901855469,
22.803712844848633,
3.316654920578003,
-9.898669242858887,
60.9172477722168,
50.02275848388672,
37.590755462646484,
-41.0047874... |
[H:22][C:8]1([C:9]([C:6]1([C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:7]([H:19])([H:20])[H:21])([H:24])[H:25])[H:23] | [
-2.033431053161621,
-1.5293229818344116,
0.09541700035333633,
-1.5056240558624268,
-0.35672301054000854,
-0.7464370131492615,
-0.3973099887371063,
0.4357309937477112,
-0.07530900090932846,
-0.40800899267196655,
1.9062999486923218,
-0.46177801489830017,
-0.7247809767723083,
1.60751402378082... | [
-221147.921875
] | [
16.186750411987305,
-12.40338134765625,
-36.8020133972168,
-16.93694496154785,
1.443300724029541,
32.8638801574707,
-22.6746768951416,
51.96894836425781,
3.1826345920562744,
-52.115657806396484,
32.308502197265625,
-34.137020111083984,
43.578372955322266,
-28.338451385498047,
-10.2536783... |
[H:19][C@@:6]1([C@@:8]([C:7]1([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12] | [
-2.080967903137207,
-1.6277509927749634,
0.12051200121641159,
-1.260862946510315,
-0.5513389706611633,
0.8212350010871887,
-0.6434900164604187,
0.37869900465011597,
-0.07107800245285034,
-0.7025120258331299,
1.8183259963989258,
0.27064400911331177,
-1.6205979585647583,
1.3315989971160889,
... | [
-221102.328125
] | [
-63.07304763793945,
-33.079505920410156,
-16.433513641357422,
-53.841957092285156,
-40.90546798706055,
78.09940338134766,
91.07974243164062,
28.568225860595703,
-47.82722473144531,
77.61475372314453,
70.38080596923828,
50.6752815246582,
-107.05503845214844,
-2.451228380203247,
-104.74575... |
[H:19][C@@:6]1([C@@:8]([C:7]1([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[C@:5]2([C@:3]([C:4]2([H:16])[H:17])([H:15])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:18] | [
-3.2609429359436035,
0.7968999743461609,
-0.3795430064201355,
-2.714353084564209,
-0.6062610149383545,
-0.08625800162553787,
-1.1844979524612427,
-0.7208849787712097,
0.3560810089111328,
-0.67746502161026,
0.5111690163612366,
1.090116024017334,
-0.14509500563144684,
0.13989700376987457,
... | [
-221061.5625
] | [
13.335737228393555,
-2.128905773162842,
-86.1198501586914,
-12.681595802307129,
-22.23352813720703,
116.14945983886719,
-95.25948333740234,
186.6703338623047,
-83.26751708984375,
-2.260791540145874,
-11.92771053314209,
-78.55036926269531,
6.221637725830078,
-32.14006423950195,
47.0001907... |
[H:22][C:8]1([C:9]([C:7]1([H:21])[C:4]2([C:5]([C:6]2([H:19])[H:20])([H:17])[H:18])[C:2]([H:13])([C:1]([H:10])([H:11])[H:12])[C:3]([H:14])([H:15])[H:16])([H:24])[H:25])[H:23] | [
-2.74161696434021,
-0.26487401127815247,
-0.4199090003967285,
-1.1862599849700928,
-0.6433529853820801,
-0.47682198882102966,
-1.005133032798767,
-1.7463489770889282,
0.642795979976654,
-0.20097699761390686,
0.5220810174942017,
0.03155200183391571,
-0.2683529853820801,
1.9719079732894897,
... | [
-220995.171875
] | [
28.994903564453125,
45.21268081665039,
-82.51797485351562,
-5.6101298332214355,
7.3233771324157715,
25.22599983215332,
83.37921905517578,
42.91836166381836,
3.428429126739502,
69.90126037597656,
-28.403587341308594,
-61.840389251708984,
-48.419334411621094,
11.422840118408203,
-48.433128... |
[H:19][C@@:6]1([C@@:8]([C:7]1([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12] | [
-2.320950984954834,
-1.4710739850997925,
0.17088599503040314,
-1.3155560493469238,
-0.4411320090293884,
0.9371880292892456,
-0.5698059797286987,
0.48577699065208435,
-0.05358000099658966,
-0.42065298557281494,
2.0156290531158447,
0.18275099992752075,
-1.525750994682312,
1.30929696559906,
... | [
-221094.8125
] | [
-16.483335494995117,
57.8897590637207,
7.9781622886657715,
-27.392831802368164,
-30.006298065185547,
-0.5525178909301758,
81.64277648925781,
-65.394287109375,
38.77654266357422,
-16.279451370239258,
-15.537858963012695,
-11.844222068786621,
38.7320556640625,
86.3046875,
-94.2533111572265... |
[H+:19].[H:18][C-:6]([H:20])[C@:5]12[C@@:8]([C:7]1([H:21])[H:22])([C@:2]([C:3]([C:4]2([H:16])[H:17])([H:14])[H:15])([H:13])[C:1]([H:10])([H:11])[H:12])[C:9]([H:23])([H:24])[H:25] | [
-2.214416980743408,
-0.33419299125671387,
-0.6042829751968384,
-0.7629050016403198,
-0.6291499733924866,
-0.7264890074729919,
-0.48514801263809204,
-1.3313900232315063,
0.4479599893093109,
0.7939919829368591,
-0.5074229836463928,
1.3040879964828491,
1.2434619665145874,
0.24989299476146698,... | [
-220995
] | [
-71.91793823242188,
-26.646570205688477,
-146.23101806640625,
-42.42924880981445,
81.86600494384766,
-69.82791900634766,
111.99732971191406,
-125.94990539550781,
122.06979370117188,
-124.27739715576172,
27.646434783935547,
47.272438049316406,
8.833464622497559,
22.445175170898438,
79.108... |
[H:19][C-:6]([H:20])[C:5]([H:17])([H:18])[C@:3]1([C@@:2]([C@@:8]1([C+:7]([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])([H:13])[C:1]([H:10])([H:11])[H:12])[C:4]([H:14])([H:15])[H:16] | [
-2.7962191104888916,
-0.0607369989156723,
0.3494510054588318,
-1.4500349760055542,
-0.6015160083770752,
-0.20559799671173096,
0.02490900084376335,
-0.5977920293807983,
0.46964898705482483,
0.5542460083961487,
-1.7987220287322998,
-0.5369669795036316,
1.230357050895691,
-0.23459400236606598... | [
-220996.96875
] | [
-31.96355628967285,
-53.9720573425293,
1.3926151990890503,
-2.33919095993042,
-34.75843811035156,
6.195121765136719,
-35.40598678588867,
-53.988399505615234,
-42.91783142089844,
-7.267045497894287,
-23.08556365966797,
39.0259895324707,
-29.40439224243164,
15.463051795959473,
55.198593139... |
[H:22][C:8]1([C:9]([C:6]1([C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:7]([H:19])([H:20])[H:21])([H:24])[H:25])[H:23] | [
-1.9442239999771118,
-1.7403030395507812,
-0.0114120002835989,
-1.6686209440231323,
-0.4373840093612671,
-0.6592090129852295,
-0.23782500624656677,
0.4863249957561493,
-0.07951100170612335,
-0.4531500041484833,
1.9874629974365234,
-0.5531309843063354,
-1.0056060552597046,
1.570971012115478... | [
-221008.234375
] | [
-0.8174492716789246,
-52.163204193115234,
27.385286331176758,
4.883993625640869,
75.55439758300781,
-65.0311279296875,
-182.33665466308594,
49.82078170776367,
-51.69942092895508,
-69.94205474853516,
-45.189640045166016,
1.272936224937439,
-38.41273880004883,
-2.5251524448394775,
41.15539... |
[H:13]/[C:2](=[C:3](/[C@:5]1([C@@:8]([C:7]([C:6]1([H:18])[H:19])([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[H:17])\[C:4]([H:14])([H:15])[H:16])/[C:1]([H:10])([H:11])[H:12] | [
1.115731954574585,
2.1388070583343506,
0.46639901399612427,
1.6798880100250244,
0.7231410145759583,
0.3111790120601654,
1.1017329692840576,
-0.35377100110054016,
-0.2590790092945099,
1.9381059408187866,
-1.548140048980713,
-0.41099199652671814,
-0.2863070070743561,
-0.5495169758796692,
-... | [
-221149.46875
] | [
-27.533838272094727,
-16.31538963317871,
-12.074368476867676,
21.463455200195312,
-7.356791019439697,
-32.199424743652344,
-5.5455145835876465,
46.2523193359375,
10.152750968933105,
44.30807113647461,
31.049636840820312,
-35.44875717163086,
-0.6360649466514587,
-38.45969772338867,
40.913... |
[H:10][C:1]1([C:2]([C:3]2([C:4]([C:5]([C:6]([C:7]1([H:20])[H:21])([C:8]([C:9]2([H:24])[H:25])([H:22])[H:23])[H:19])([H:17])[H:18])([H:15])[H:16])[H:14])([H:12])[H:13])[H:11] | [
1.750156044960022,
0.6182119846343994,
-0.3092289865016937,
0.5512830018997192,
1.6104010343551636,
-0.6405100226402283,
-0.8373289704322815,
1.1982380151748657,
-0.03426000103354454,
-1.7278209924697876,
0.0582210011780262,
-0.8011289834976196,
-1.015887975692749,
-1.4223029613494873,
-... | [
-221038.515625
] | [
27.718801498413086,
34.939605712890625,
39.20735549926758,
-21.577756881713867,
-17.69116973876953,
-30.513050079345703,
-66.91857147216797,
-30.997568130493164,
-58.382057189941406,
84.12991333007812,
-33.75077438354492,
-37.01860809326172,
-95.14080047607422,
-60.88620376586914,
-77.00... |
[H:22][C@@:7]12[C@:9]([C:8]1([H:23])[H:24])([C@:3]([C:4]([C@:5]2([H:18])[C:6]([H:19])([H:20])[H:21])([H:16])[H:17])([H:15])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:25] | [
3.0289559364318848,
-0.1806890070438385,
-0.40367498993873596,
1.717100977897644,
-0.9481369853019714,
-0.4553300142288208,
0.8251379728317261,
-0.5212129950523376,
0.7128199934959412,
-0.5895990133285522,
-1.2643049955368042,
0.6557350158691406,
-1.6619919538497925,
-0.14072799682617188,
... | [
-221111.703125
] | [
6.75244665145874,
32.1230354309082,
-8.203545570373535,
8.25235652923584,
51.06642150878906,
37.934452056884766,
-24.916542053222656,
15.428070068359375,
-23.482149124145508,
11.924234390258789,
25.767887115478516,
34.4034423828125,
-29.692001342773438,
-37.62926483154297,
49.89473724365... |
[H+:15].[H:16][C-:4]([H:17])[C@@:3]1([C@:5]2([C@:7]([C:6]2([H:19])[H:20])([C@:8]([C@:2]1([H:13])[C:1]([H:10])([H:11])[H:12])([H:22])[C:9]([H:23])([H:24])[H:25])[H:21])[H:18])[H:14] | [
2.2751500606536865,
-1.1417369842529297,
-0.0915519967675209,
0.7911909818649292,
-0.48466598987579346,
-0.7348009943962097,
0.6720150113105774,
1.0802860260009766,
-0.40021398663520813,
1.4946160316467285,
1.9910119771957397,
0.554394006729126,
-0.7621260285377502,
0.8518329858779907,
0... | [
-220991.625
] | [
-27.58536148071289,
135.8349609375,
66.57904052734375,
80.77046203613281,
-45.31830978393555,
82.350830078125,
-88.03983306884766,
-2.4488472938537598,
-56.807586669921875,
31.64712142944336,
-35.33854675292969,
49.40253829956055,
-22.846582412719727,
55.52332305908203,
-66.7536010742187... |
[H:24][C:9](=[C:8]([H:23])[C:5](=[C:6]([H:19])[C:7]([H:20])([H:21])[H:22])[C@@:3]([H:15])([C:4]([H:16])([H:17])[H:18])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:25] | [
1.2371679544448853,
2.119697093963623,
-0.7908610105514526,
1.778993010520935,
0.9310770034790039,
0.09840500354766846,
0.4268040060997009,
0.2744320034980774,
0.8686580061912537,
0.7332350015640259,
-0.8054149746894836,
1.7631620168685913,
-0.6212810277938843,
-0.02218100056052208,
-0.3... | [
-221043.09375
] | [
17.599056243896484,
38.64472961425781,
-29.653932571411133,
-119.28679656982422,
-87.46597290039062,
-33.445777893066406,
-18.246356964111328,
92.92179870605469,
-59.90849304199219,
171.0626220703125,
-49.75041961669922,
27.58188247680664,
41.43488311767578,
-52.8224983215332,
64.8761138... |
[H:14][C-:3]1[C:9]([C:8]([C@:6]([C:7]([C:1]([C:2]1([H:12])[H:13])([H:10])[H:11])([H:20])[H:21])([H:19])[C:5]([H:17])([H:18])[C+:4]([H:15])[H:16])([H:22])[H:23])([H:24])[H:25] | [
2.029232978820801,
0.23845399916172028,
-0.0493680015206337,
1.0115989446640015,
1.431604027748108,
-0.6347759962081909,
-0.5656480193138123,
1.2978860139846802,
-0.3492650091648102,
-1.7257709503173828,
0.10879000276327133,
-0.907039999961853,
-1.2275619506835938,
-1.3732450008392334,
-... | [
-221027.21875
] | [
-7.637059688568115,
8.306840896606445,
23.18382453918457,
39.23025131225586,
19.71784019470215,
-35.5482292175293,
-53.46886444091797,
27.839937210083008,
83.16605377197266,
32.86343002319336,
68.09254455566406,
-45.21131134033203,
93.35401153564453,
-14.573930740356445,
-39.929874420166... |
[H:17][C:5]1([C:4]([C:3]2([C:2]([C:7]([C:6]1([H:19])[H:20])([C:8]2([H:22])[C:9]([H:23])([H:24])[H:25])[H:21])([H:13])[C:1]([H:10])([H:11])[H:12])[H:14])([H:15])[H:16])[H:18] | [
-1.8236390352249146,
1.6194590330123901,
-0.04522300139069557,
-0.3710629940032959,
1.1821099519729614,
-0.09519699960947037,
0.19279399514198303,
0.3698279857635498,
0.9842770099639893,
-0.5052130222320557,
-0.8053140044212341,
1.3499419689178467,
-0.9339439868927002,
-1.6413090229034424,... | [
-221104.421875
] | [
-26.525087356567383,
43.48638153076172,
47.10402297973633,
-33.59022903442383,
5.075311660766602,
3.352268695831299,
91.26998901367188,
33.58149337768555,
40.60345458984375,
-17.20158576965332,
-85.6686782836914,
140.94651794433594,
-107.0877914428711,
60.60173797607422,
-67.290489196777... |
[H:25][C@:9]12[C@@:5]([C:6]([C@:7]1([H:21])[C:8]([H:22])([H:23])[H:24])([H:19])[H:20])([C:4]([C:3]([C@@:2]2([H:13])[C:1]([H:10])([H:11])[H:12])([H:14])[H:15])([H:16])[H:17])[H:18] | [
-0.8639190196990967,
2.4472460746765137,
0.21124500036239624,
-1.1682369709014893,
0.8717389702796936,
-0.4127109944820404,
-2.201900005340576,
-0.315995991230011,
0.009673000313341618,
-1.496500015258789,
-1.491642951965332,
0.35580500960350037,
-0.1656699925661087,
-1.4018609523773193,
... | [
-221062.953125
] | [
-77.49726867675781,
-12.142680168151855,
4.956502914428711,
70.63951110839844,
29.331819534301758,
40.026611328125,
-78.43660736083984,
169.56301879882812,
18.531314849853516,
22.993330001831055,
-92.7095947265625,
69.7161865234375,
44.67427444458008,
79.77739715576172,
80.96867370605469... |
[H+:10].[H:11][C-:1]([H:12])[C:2]([H:13])([H:14])[C@@:3]([H:15])(/[C:5](=[C:6](\[H:19])/[C:7]([H:20])([H:21])[H:22])/[C:8](=[C:9]([H:24])[H:25])[H:23])[C:4]([H:16])([H:17])[H:18] | [
-1.528370976448059,
-1.2766339778900146,
-1.4892690181732178,
-1.8629130125045776,
-0.5998600125312805,
-0.1760450005531311,
-0.7100189924240112,
-0.46720701456069946,
0.7500709891319275,
-1.1291979551315308,
0.4053359925746918,
1.9835009574890137,
0.5013399720191956,
-0.07419300079345703,... | [
-221087.765625
] | [
74.52561950683594,
37.69193649291992,
-25.03095817565918,
-5.937906265258789,
10.096719741821289,
3.520211696624756,
-52.43435287475586,
-36.3275032043457,
71.41705322265625,
-6.9105095863342285,
1.5456560850143433,
-1.0549099445343018,
95.32228088378906,
128.2253875732422,
-70.565979003... |
[H:19][C@@:6]1([C@@:8]([C:7]1([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12] | [
-2.085576057434082,
-1.3095459938049316,
0.2911199927330017,
-1.2767369747161865,
-0.2513909935951233,
1.0824190378189087,
-0.53644198179245,
0.4238849878311157,
-0.029783999547362328,
-0.23066000640392303,
1.9245480298995972,
-0.05327799916267395,
-1.237563967704773,
1.2370409965515137,
... | [
-221093.625
] | [
-5.078700542449951,
-16.279237747192383,
62.02128219604492,
-65.93244934082031,
25.793956756591797,
53.31376647949219,
42.19765090942383,
-10.372596740722656,
63.03153610229492,
5.442841529846191,
54.99021530151367,
46.77067184448242,
-26.084287643432617,
59.57369613647461,
-33.791160583... |
[H:18][C:6](=[C:5]([H:17])[C:4](=[C:7]([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:2]([H:13])([C:1]([H:10])([H:11])[H:12])[C:3]([H:14])([H:15])[H:16])[H:19] | [
-2.2453560829162598,
-0.07011999934911728,
-1.1043699979782104,
-1.2672970294952393,
-0.7388190031051636,
-0.07478799670934677,
-1.5705490112304688,
-0.7649570107460022,
1.3853180408477783,
0.10162899643182755,
-0.28974100947380066,
-0.2278199940919876,
1.0088579654693604,
-1.5053689479827... | [
-221106.984375
] | [
-41.44913864135742,
35.716583251953125,
-55.93580627441406,
-39.927860260009766,
-62.47029495239258,
-63.986534118652344,
-3.898428201675415,
15.945158958435059,
20.322589874267578,
60.49789810180664,
-42.79402542114258,
9.091242790222168,
9.58653736114502,
-6.454655170440674,
-33.665199... |
[H:17][C:5]1([C:4]([C:3]2([C:8]([C:6]1([C:9]2([H:24])[H:25])[C:7]([H:19])([H:20])[H:21])([H:22])[H:23])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])([H:15])[H:16])[H:18] | [
-3.0557780265808105,
-0.9828349947929382,
-0.07480599731206894,
-2.11311411857605,
0.3309819996356964,
0.04310299828648567,
-0.6809639930725098,
0.3498710095882416,
0.05196699872612953,
0.026117000728845596,
1.6543049812316895,
-0.20254400372505188,
1.5355429649353027,
1.1301850080490112,
... | [
-221110.375
] | [
15.683235168457031,
-8.83906364440918,
10.942559242248535,
-70.15869903564453,
0.4546307325363159,
-45.65719985961914,
85.62367248535156,
-52.425167083740234,
13.967249870300293,
-5.776220798492432,
28.50558853149414,
-3.646240711212158,
-7.0993146896362305,
45.746368408203125,
22.705884... |
[H:17][C:6](=[C:5](/[C:3](=[C:2](/[H:13])\[C:1]([H:10])([H:11])[H:12])/[C:4]([H:14])([H:15])[H:16])[C:7]([H:19])([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[H:18] | [
2.709671974182129,
-1.1912569999694824,
-0.23717500269412994,
2.1794159412384033,
0.18783900141716003,
-0.33737799525260925,
0.9756730198860168,
0.6578130125999451,
-0.184129998087883,
0.6980080008506775,
2.116041898727417,
-0.027713000774383545,
-0.16913099586963654,
-0.1808139979839325,
... | [
-221123.6875
] | [
-3.4209253787994385,
-30.08458137512207,
-68.59691619873047,
24.84156608581543,
19.027490615844727,
-6.2582807540893555,
-60.58588790893555,
-1.3796731233596802,
31.804906845092773,
81.59632873535156,
5.573606491088867,
-5.433893203735352,
23.595006942749023,
-17.048322677612305,
31.6366... |
[H:17][C:5](=[C:6]([H:18])[C:7]([H:19])([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:3](=[C:2]([H:13])[C:1]([H:10])([H:11])[H:12])[C:4]([H:14])([H:15])[H:16] | [
3.0512349605560303,
-1.2645690441131592,
0.22613799571990967,
2.5445480346679688,
0.18777699768543243,
0.0032389999832957983,
1.276015043258667,
0.5649189949035645,
-0.04955900087952614,
0.9915030002593994,
2.043036937713623,
0.042580001056194305,
0.31384900212287903,
-0.4143179953098297,
... | [
-221131.53125
] | [
44.0544548034668,
55.26504135131836,
-89.47931671142578,
22.59192657470703,
-27.90217399597168,
30.828838348388672,
-40.58616256713867,
-28.898269653320312,
-30.664751052856445,
11.837732315063477,
12.323266983032227,
35.30047607421875,
10.539070129394531,
16.471017837524414,
21.48532295... |
[H:23][C@@:8]12[C@@:2]([C:3]([C:4]([C@:5]([C:9]1([H:24])[H:25])([C:6]([C:7]2([H:21])[H:22])([H:19])[H:20])[H:18])([H:16])[H:17])([H:14])[H:15])([H:13])[C:1]([H:10])([H:11])[H:12] | [
2.7664859294891357,
-0.8513060212135315,
-0.2768569886684418,
1.4897160530090332,
0.013933000154793262,
0.3280619978904724,
1.1058629751205444,
1.6188679933547974,
-0.08345799893140793,
-0.5420219898223877,
1.5973750352859497,
-0.5783550143241882,
-1.730666995048523,
0.6516299843788147,
... | [
-221005.296875
] | [
19.230653762817383,
6.851836204528809,
13.156232833862305,
23.741714477539062,
-28.46796226501465,
-39.64299392700195,
-67.96682739257812,
-42.232173919677734,
75.48597717285156,
21.11275863647461,
54.369537353515625,
-13.836276054382324,
69.08549499511719,
0.8593775629997253,
-7.8206429... |
[H:15][C:4](=[C:3]([C:5](=[C:8]([H:22])[C:9]([H:23])([H:24])[H:25])[C:6]([H:17])([H:18])[C:7]([H:19])([H:20])[H:21])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:16] | [
-2.177830934524536,
-0.5584489703178406,
1.4535189867019653,
-2.1287920475006104,
-0.782709002494812,
-0.12973399460315704,
-0.9280099868774414,
0.1287750005722046,
-0.7426630258560181,
-1.2938790321350098,
1.123986005783081,
-1.567512035369873,
0.30111899971961975,
-0.16714200377464294,
... | [
-221090.140625
] | [
-10.553520202636719,
23.358278274536133,
45.375946044921875,
-14.964256286621094,
129.22927856445312,
26.646705627441406,
-120.77452850341797,
9.290193557739258,
-17.867341995239258,
-34.03791427612305,
-4.245660305023193,
14.08595085144043,
145.63685607910156,
-46.291656494140625,
-31.5... |
[H:18][C:6](=[C:5]([H:17])[C:4](=[C:7]([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:2]([H:13])([C:1]([H:10])([H:11])[H:12])[C:3]([H:14])([H:15])[H:16])[H:19] | [
-2.1478919982910156,
0.02804500050842762,
-1.1630339622497559,
-1.251837968826294,
-0.7523069977760315,
-0.20246900618076324,
-1.7426869869232178,
-0.7611740231513977,
1.236045002937317,
0.1511390060186386,
-0.23183099925518036,
-0.277536004781723,
1.1477940082550049,
-1.3059910535812378,
... | [
-221172.671875
] | [
-22.762189865112305,
-5.863126277923584,
-6.578175067901611,
-12.009285926818848,
4.901484489440918,
-9.428115844726562,
18.186351776123047,
-2.9630205631256104,
19.9180850982666,
5.069897174835205,
-6.2087016105651855,
12.515007019042969,
29.368032455444336,
-17.283063888549805,
4.89944... |
[H:19][C@@:6]1([C@@:8]([C:7]1([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[C@:5]2([C@:3]([C:4]2([H:16])[H:17])([H:15])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:18] | [
-3.177304983139038,
0.9023659825325012,
-0.520334005355835,
-2.790268898010254,
-0.5917620062828064,
-0.23909899592399597,
-1.3916709423065186,
-0.6155149936676025,
0.4771699905395508,
-0.7997210025787354,
0.512507975101471,
1.2738640308380127,
-0.3156239986419678,
-0.08772300183773041,
... | [
-221001.96875
] | [
1.2501126527786255,
-51.46337890625,
-95.94852447509766,
23.081340789794922,
-0.6825882196426392,
-4.475470066070557,
-116.60334014892578,
-118.65567779541016,
78.42695617675781,
61.831119537353516,
31.044599533081055,
23.095701217651367,
161.40213012695312,
87.75328063964844,
-134.34992... |
[H:24][C:9](=[C:8]([H:23])/[C:5](=[C:6](/[H:19])\[C:7]([H:20])([H:21])[H:22])/[C@@:3]([H:15])([C:4]([H:16])([H:17])[H:18])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:25] | [
-1.6639020442962646,
-1.7109999656677246,
-1.0623290538787842,
-1.8702830076217651,
-0.6225489974021912,
-0.002078999998047948,
-0.5969460010528564,
-0.3381989896297455,
0.7848920226097107,
-0.7773640155792236,
0.6431909799575806,
1.9470469951629639,
0.593176007270813,
-0.02366100065410137... | [
-221165.796875
] | [
39.02961730957031,
-0.7054069638252258,
-15.965988159179688,
-13.324746131896973,
-23.270034790039062,
3.463345766067505,
-11.685311317443848,
-29.361330032348633,
21.213253021240234,
39.61325454711914,
-6.9017438888549805,
-11.308918952941895,
9.4622220993042,
24.45103645324707,
-0.0298... |
[H:22][C:8]1([C:9]([C:7]1([H:21])[C:4]2([C:5]([C:6]2([H:19])[H:20])([H:17])[H:18])[C:2]([H:13])([C:1]([H:10])([H:11])[H:12])[C:3]([H:14])([H:15])[H:16])([H:24])[H:25])[H:23] | [
-2.6456289291381836,
0.2864139974117279,
-0.49393901228904724,
-1.294206976890564,
-0.3931429982185364,
-0.5073310136795044,
-1.378358006477356,
-1.631216049194336,
0.49421000480651855,
-0.008755999617278576,
0.38213199377059937,
-0.1442990005016327,
0.1508760005235672,
1.9399399757385254,... | [
-221119.03125
] | [
51.62773895263672,
82.31678771972656,
30.067523956298828,
-9.467495918273926,
-37.644004821777344,
41.26990509033203,
-67.61192321777344,
47.92670822143555,
47.10210418701172,
-5.075213432312012,
39.46345520019531,
-24.19089698791504,
-92.86849975585938,
9.571555137634277,
52.38997268676... |
[H:13]/[C:2](=[C:3](/[C:5](=[C:7]([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:6]([H:17])([H:18])[H:19])\[C:4]([H:14])([H:15])[H:16])/[C:1]([H:10])([H:11])[H:12] | [
1.6593869924545288,
-1.6293859481811523,
-1.159093976020813,
1.9453099966049194,
-0.5750769972801208,
-0.09556599706411362,
1.0651270151138306,
0.3842099905014038,
0.3058199882507324,
1.4908920526504517,
1.3921730518341064,
1.3332250118255615,
-0.2974570095539093,
0.5488600134849548,
-0.... | [
-221186.265625
] | [
-6.923973560333252,
3.176344871520996,
26.73594856262207,
-23.552438735961914,
15.094087600708008,
-3.4245870113372803,
52.50746154785156,
-23.80626678466797,
2.6262378692626953,
-1.3722119331359863,
13.815505981445312,
8.593074798583984,
-11.09361457824707,
-11.840373992919922,
-16.1725... |
[H:15][C:4](=[C:3]([H:14])[C@:2]([H:13])([C:5](=[C:7]([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:6]([H:17])([H:18])[H:19])[C:1]([H:10])([H:11])[H:12])[H:16] | [
-1.1367340087890625,
-1.1110349893569946,
1.60214102268219,
-0.9914289712905884,
0.0800589993596077,
0.6644880175590515,
-1.8548380136489868,
-0.3226580023765564,
-0.5398229956626892,
-2.6943650245666504,
0.5454149842262268,
-1.1891629695892334,
0.4045409858226776,
0.5317670106887817,
0.... | [
-221159.671875
] | [
16.79867935180664,
16.756410598754883,
47.1769905090332,
-15.583904266357422,
-20.608154296875,
-35.13961410522461,
1.6520016193389893,
69.19313049316406,
-24.09327507019043,
29.326696395874023,
-39.33212661743164,
37.07115173339844,
-43.88318634033203,
10.354009628295898,
7.102195262908... |
[H:22][C:8]1([C:9]([C:7]1([H:21])[C:4]2([C:5]([C:6]2([H:19])[H:20])([H:17])[H:18])[C:2]([H:13])([C:1]([H:10])([H:11])[H:12])[C:3]([H:14])([H:15])[H:16])([H:24])[H:25])[H:23] | [
-2.6227500438690186,
0.2747119963169098,
-0.3218899965286255,
-1.2928650379180908,
-0.46601399779319763,
-0.4087330102920532,
-1.268875002861023,
-1.6536509990692139,
0.4699620008468628,
-0.02474600076675415,
0.3707970082759857,
-0.20135800540447235,
-0.0834449976682663,
1.9088380336761475... | [
-221157.65625
] | [
-22.078109741210938,
-15.22138500213623,
-15.635385513305664,
8.81704330444336,
9.519556999206543,
-18.06526756286621,
-17.277915954589844,
-53.88284683227539,
15.082334518432617,
-29.03042984008789,
31.324199676513672,
31.27605438232422,
19.807037353515625,
-11.039441108703613,
-13.9600... |
[H:24][C:9](=[C:7](/[C:5](=[C:3](/[C:4]([H:15])([H:16])[H:17])\[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])/[C:6]([H:18])([H:19])[H:20])[C:8]([H:21])([H:22])[H:23])[H:25] | [
2.3602399826049805,
-1.4790990352630615,
-0.4322580099105835,
1.3763920068740845,
-0.9205459952354431,
0.6159399747848511,
0.8429629802703857,
0.4428260028362274,
0.22411499917507172,
1.9049760103225708,
1.511968970298767,
0.09915900230407715,
-0.4610849916934967,
0.6786810159683228,
0.0... | [
-221190.609375
] | [
-1.0874192714691162,
-7.287838935852051,
3.452293872833252,
1.0599639415740967,
0.005999068729579449,
-5.479014873504639,
-4.535324573516846,
3.751833438873291,
2.750549793243408,
0.9143130779266357,
7.345801830291748,
-2.920511245727539,
6.459545612335205,
2.716221570968628,
0.307179838... |
[H+:24].[H:21][C-:7]([C:8](=[C:9]([H:23])[H:25])[H:22])[C:6](=[C:3]([C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[H:19])[H:20] | [
0.6230059862136841,
2.321099042892456,
-0.3344869911670685,
0.768917977809906,
1.1486799716949463,
0.6911399960517883,
0.9258390069007874,
-0.23065899312496185,
-0.08781000226736069,
2.3349080085754395,
-0.6102190017700195,
-0.6985009908676147,
3.2072880268096924,
-0.9519349932670593,
0.... | [
-221076.84375
] | [
-46.50992202758789,
-6.263582706451416,
0.73075270652771,
12.41874885559082,
-36.36857986450195,
-73.70392608642578,
38.45786666870117,
9.423931121826172,
-30.803882598876953,
29.007225036621094,
51.36197280883789,
37.06696319580078,
-8.385807037353516,
45.83912658691406,
37.117668151855... |
[H:21][C:7](=[C:8]([C@@:2]([H:13])([C-:3]([C:4]([H:14])([H:15])[H:16])[C:5]([H:17])([H:18])[C+:6]([H:19])[H:20])[C:1]([H:10])([H:11])[H:12])[C:9]([H:23])([H:24])[H:25])[H:22] | [
-2.546022891998291,
0.5289790034294128,
-0.23569799959659576,
-1.2072579860687256,
0.5297729969024658,
0.42423000931739807,
0.18869300186634064,
0.8430290222167969,
-0.4358769953250885,
1.1833150386810303,
2.007673978805542,
0.04143499955534935,
1.1223609447479248,
-0.024376999586820602,
... | [
-221008.3125
] | [
-52.916419982910156,
-19.090272903442383,
16.384796142578125,
-111.49988555908203,
232.29998779296875,
-40.20109939575195,
-29.456525802612305,
42.334136962890625,
8.183768272399902,
-54.94218826293945,
-40.50956344604492,
79.29944610595703,
-82.60681915283203,
-140.67984008789062,
51.46... |
[H:18][C:6](=[C:5]([H:17])[C:4](=[C:7]([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:2]([H:13])([C:1]([H:10])([H:11])[H:12])[C:3]([H:14])([H:15])[H:16])[H:19] | [
-2.236506938934326,
0.07795000076293945,
-1.0924619436264038,
-1.3215930461883545,
-0.7044379711151123,
-0.17495399713516235,
-1.8577439785003662,
-0.819674015045166,
1.2652360200881958,
0.16020700335502625,
-0.29601800441741943,
-0.15710799396038055,
1.0890560150146484,
-1.401350021362304... | [
-221177.171875
] | [
-9.667204856872559,
6.605155944824219,
-7.17281436920166,
21.572906494140625,
-16.310789108276367,
26.01620864868164,
-59.06507873535156,
54.06796646118164,
-24.10211944580078,
-0.6884390711784363,
5.721480846405029,
1.0388787984848022,
-2.2393364906311035,
-22.476490020751953,
-20.84175... |
[H:17][C:5]1([C:4]([C:3]2([C:2]([C:7]([C:6]1([H:19])[H:20])([C:8]2([H:22])[C:9]([H:23])([H:24])[H:25])[H:21])([H:13])[C:1]([H:10])([H:11])[H:12])[H:14])([H:15])[H:16])[H:18] | [
1.537297010421753,
1.7165770530700684,
-0.048569999635219574,
0.00829199980944395,
1.1801700592041016,
0.12040799856185913,
-0.35587599873542786,
0.10484900325536728,
-1.0373469591140747,
0.7759870290756226,
-0.7454860210418701,
-1.377274990081787,
1.2226159572601318,
-1.441457986831665,
... | [
-221114.15625
] | [
11.792914390563965,
70.17054748535156,
20.40839195251465,
42.62207794189453,
66.13798522949219,
-72.31990814208984,
-29.025068283081055,
31.647254943847656,
24.40581512451172,
29.547895431518555,
-34.1606330871582,
-30.139265060424805,
83.99215698242188,
57.49040222167969,
3.661637544631... |
[H:17][C:5]1([C@@:3]2([C@:8]([C:2]2([H:13])[C:1]([H:10])([H:11])[H:12])([C:7]([C:6]1([H:19])[H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:4]([H:14])([H:15])[H:16])[H:18] | [
2.6644198894500732,
0.1659419983625412,
0.20398500561714172,
1.3596910238265991,
0.3822210133075714,
-0.5488049983978271,
0.15501900017261505,
0.7604209780693054,
0.2605249881744385,
-0.7580270171165466,
2.094989061355591,
-0.19502900540828705,
-0.7714679837226868,
0.13332599401474,
1.31... | [
-221058.890625
] | [
7.124173164367676,
-21.782644271850586,
17.984582901000977,
-3.889216661453247,
69.23365783691406,
2.113832712173462,
-90.00751495361328,
8.99833869934082,
7.701357364654541,
74.41205596923828,
-11.125070571899414,
-30.127817153930664,
23.93140983581543,
-99.17457580566406,
-22.809780120... |
[H+:25].[H:19][C-:6](/[C:5](=[C:3](/[C:4]([H:15])([H:16])[H:17])\[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])/[H:18])[C:7](=[C:9]([H:23])[H:24])[C:8]([H:20])([H:21])[H:22] | [
-2.514065980911255,
1.6231310367584229,
-0.508092999458313,
-1.2857669591903687,
0.8804799914360046,
0.1608079969882965,
-1.4370959997177124,
-0.4564409852027893,
0.0071669998578727245,
-2.5721850395202637,
-1.273447036743164,
0.39111799001693726,
-0.33465099334716797,
-1.1441060304641724,... | [
-221095.59375
] | [
94.8768081665039,
50.87541961669922,
-9.816778182983398,
-22.982276916503906,
140.74205017089844,
-2.703084945678711,
91.63980102539062,
-143.7644500732422,
-7.659967422485352,
-88.05157470703125,
-38.342201232910156,
-16.313697814941406,
29.05060577392578,
10.668489456176758,
-36.391784... |
[H:13][C@@:2]1([C:8](=[C:6]([C:5]([C:4]([C:3]1([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])[C:7]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:1]([H:10])([H:11])[H:12] | [
-2.2664530277252197,
0.5002800226211548,
0.9387040138244629,
-1.3765729665756226,
0.10960099846124649,
-0.2768940031528473,
-1.1023269891738892,
-1.2606480121612549,
-0.7610160112380981,
-0.13444800674915314,
-1.9601449966430664,
0.18248699605464935,
1.402312994003296,
-1.4600809812545776,... | [
-221082.484375
] | [
-7.2581353187561035,
-77.38752746582031,
27.997644424438477,
-4.916734218597412,
91.22114562988281,
-39.29082489013672,
-39.978759765625,
-35.06703567504883,
6.0918450355529785,
17.52236557006836,
54.683040618896484,
31.526601791381836,
-56.58833312988281,
38.165714263916016,
-64.7675170... |
[H:14][C:3](=[C:2]([H:13])[C:1]([H:10])([H:11])[H:12])[C:4](=[C:5]([H:15])[C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25] | [
2.9812889099121094,
0.30064401030540466,
0.5054330229759216,
2.425230026245117,
-0.84682297706604,
-0.25230300426483154,
1.171416997909546,
-0.9393180012702942,
-0.8030580282211304,
-0.09818299859762192,
-0.1531669944524765,
-0.35180601477622986,
0.13844099640846252,
1.1725430488586426,
... | [
-221095.78125
] | [
-42.5453987121582,
-7.938162326812744,
33.27766036987305,
10.118241310119629,
-3.054412841796875,
-68.65946960449219,
17.15768814086914,
10.460782051086426,
42.62812805175781,
89.64472961425781,
23.549711227416992,
-1.272953987121582,
-40.500614166259766,
34.179080963134766,
10.712551116... |
[H:10][C:1]1([C:2]([C:3]2([C:4]([C:5]([C:6]([C:7]1([H:20])[H:21])([C:8]([C:9]2([H:24])[H:25])([H:22])[H:23])[H:19])([H:17])[H:18])([H:15])[H:16])[H:14])([H:12])[H:13])[H:11] | [
1.9184279441833496,
0.4771040081977844,
-0.0841279998421669,
0.7304379940032959,
1.4041880369186401,
-0.6808069944381714,
-0.7601829767227173,
1.1388390064239502,
-0.1723410040140152,
-1.567168951034546,
0.11920300126075745,
-0.9944589734077454,
-1.0962419509887695,
-1.3560830354690552,
... | [
-221112.65625
] | [
41.118003845214844,
-0.6268048286437988,
18.580183029174805,
36.05096435546875,
-3.4630730152130127,
-6.829124450683594,
2.724747657775879,
46.12714767456055,
-18.703170776367188,
-25.465700149536133,
3.5977585315704346,
-17.08175277709961,
16.649097442626953,
-6.795742511749268,
12.0606... |
[H:23][C@@:8]12[C@@:2]([C:3]([C:4]([C@:5]([C:9]1([H:24])[H:25])([C:6]([C:7]2([H:21])[H:22])([H:19])[H:20])[H:18])([H:16])[H:17])([H:14])[H:15])([H:13])[C:1]([H:10])([H:11])[H:12] | [
2.4435300827026367,
-0.9014260172843933,
-0.4123310148715973,
1.4915980100631714,
-0.08144400268793106,
0.5015519857406616,
1.1077239513397217,
1.493651032447815,
-0.04426499828696251,
-0.3929100036621094,
1.6722520589828491,
-0.615327000617981,
-1.5557060241699219,
0.7001789808273315,
-... | [
-221100.203125
] | [
30.28260040283203,
32.04178237915039,
-43.9469108581543,
-2.3265347480773926,
10.022637367248535,
-30.836519241333008,
-11.4019136428833,
-50.75859451293945,
36.463436126708984,
14.548985481262207,
-32.791419982910156,
-51.742530822753906,
20.659143447875977,
-13.769635200500488,
12.7274... |
[H:21]/[C:7](=[C:8](/[H:22])\[C:9]([H:23])([H:24])[H:25])/[C:6](=[C:3]([C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[H:19])[H:20] | [
0.48171499371528625,
2.282973051071167,
-0.33472099900245667,
0.5536519885063171,
1.060230016708374,
0.5948960185050964,
0.8348159790039062,
-0.2265779972076416,
-0.19510699808597565,
2.2949140071868896,
-0.41602298617362976,
-0.5613589882850647,
3.217482089996338,
-0.7523900270462036,
0... | [
-221182.40625
] | [
17.402568817138672,
-1.4102720022201538,
7.4066572189331055,
-13.35867691040039,
-11.458582878112793,
-14.698030471801758,
-1.3138517141342163,
17.282991409301758,
18.374807357788086,
-6.148531913757324,
-25.468128204345703,
1.8136682510375977,
20.005786895751953,
-3.1399617195129395,
-0... |
[H:22][C:8]1([C:9]([C:7]1([H:21])[C:4]2([C:5]([C:6]2([H:19])[H:20])([H:17])[H:18])[C:2]([H:13])([C:1]([H:10])([H:11])[H:12])[C:3]([H:14])([H:15])[H:16])([H:24])[H:25])[H:23] | [
-2.5054678916931152,
0.4787279963493347,
-0.3681359887123108,
-1.4555950164794922,
-0.5442219972610474,
-0.49294498562812805,
-1.48329496383667,
-1.630152940750122,
0.5539399981498718,
0.0689919963479042,
0.41237199306488037,
-0.2393839955329895,
0.2170639932155609,
2.01800799369812,
-0.... | [
-220993.40625
] | [
-29.749982833862305,
33.3294563293457,
100.85581970214844,
61.965023040771484,
80.1219711303711,
56.0202522277832,
7.301507949829102,
-56.24307632446289,
45.47895431518555,
-74.17784881591797,
38.931087493896484,
-46.07844543457031,
-98.33763122558594,
76.60508728027344,
-62.248565673828... |
[H:13][C:2](=[C:3]([C:5](=[C:7]([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:6]([H:17])([H:18])[H:19])[C:4]([H:14])([H:15])[H:16])[C:1]([H:10])([H:11])[H:12] | [
3.0451860427856445,
-0.9420030117034912,
-0.4979130029678345,
1.6075140237808228,
-0.5199800133705139,
-0.6778669953346252,
0.9383450150489807,
0.3610619902610779,
0.09204799681901932,
1.5236029624938965,
1.3381470441818237,
1.1135929822921753,
-0.5671550035476685,
0.5108469724655151,
-0... | [
-221172.328125
] | [
-26.337200164794922,
-4.540705680847168,
-36.100555419921875,
8.632908821105957,
19.7996826171875,
5.874828815460205,
-22.467649459838867,
-2.5429885387420654,
-27.137012481689453,
-13.486331939697266,
-21.46588706970215,
2.9018356800079346,
13.269524574279785,
20.426435470581055,
-13.52... |
[H+:17].[H+:18].[H+:19].[H:25][C:9]#[C:8][C:3]([C:4]([H:15])([H:16])[C-3:5])([C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[H:24] | [
1.3560420274734497,
1.9143589735031128,
0.7852500081062317,
-0.027132999151945114,
1.4119809865951538,
0.23375999927520752,
-0.21948599815368652,
-0.05416399985551834,
-0.2533319890499115,
0.9001920223236084,
-0.3598470091819763,
-1.3395010232925415,
2.2320759296417236,
-0.9037929773330688... | [
-221045.46875
] | [
-24.710147857666016,
-1.2765434980392456,
42.658546447753906,
-4.1909003257751465,
22.347532272338867,
-4.016015529632568,
13.609183311462402,
37.570491790771484,
-75.02204132080078,
2.6355903148651123,
-37.4348030090332,
10.190943717956543,
41.08397674560547,
-3.5058157444000244,
0.0710... |
[H:22]/[C:8](=[C:6](\[C:3](=[C:4](\[H:15])/[C:5]([H:16])([H:17])[H:18])\[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])/[C:7]([H:19])([H:20])[H:21])/[C:9]([H:23])([H:24])[H:25] | [
-2.7093849182128906,
-1.1261290311813354,
0.1765879988670349,
-1.7537529468536377,
-0.5303620100021362,
-0.8694869875907898,
-0.6712020039558411,
0.2815850079059601,
-0.15276700258255005,
-0.8859429955482483,
1.6235829591751099,
-0.06433100253343582,
-0.04632699862122536,
2.626120090484619... | [
-221174.5
] | [
-15.265085220336914,
-17.412567138671875,
-15.873306274414062,
4.107085227966309,
-1.4738593101501465,
26.885223388671875,
5.947613716125488,
24.16693878173828,
-32.067298889160156,
-55.136512756347656,
-65.65370178222656,
-18.16546630859375,
49.72221374511719,
34.19843292236328,
21.3261... |
[H:25][C:9]#[C:8][C:3]([C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])([C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[H:24] | [
1.2539169788360596,
1.9774190187454224,
0.5914819836616516,
-0.15830600261688232,
1.3459880352020264,
0.5720260143280029,
-0.31538599729537964,
-0.1035510003566742,
-0.20199599862098694,
0.9900839924812317,
-0.260684996843338,
-1.179800033569336,
2.3553690910339355,
-1.0137959718704224,
... | [
-220976.234375
] | [
-42.22940444946289,
98.74898529052734,
-10.753745079040527,
-45.631263732910156,
22.89071273803711,
-93.87361145019531,
44.882659912109375,
46.158843994140625,
-9.629609107971191,
-24.536998748779297,
61.219512939453125,
-100.54617309570312,
-34.8509635925293,
-19.380149841308594,
27.317... |
[H:25][C@@:9]12[C@:7]([C:8]1([H:23])[H:24])([C:6]([C:5]([C@:3]2([C:4]([H:15])([H:16])[H:17])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])([H:18])[H:19])([H:20])[H:21])[H:22] | [
-1.7223349809646606,
-1.5646439790725708,
0.5144960284233093,
-1.9395689964294434,
-0.15350499749183655,
0.04093499854207039,
-0.5696799755096436,
0.6756830215454102,
0.02593900077044964,
-0.9143720269203186,
1.9908740520477295,
-0.7021819949150085,
0.4250679910182953,
0.6129429936408997,
... | [
-220925.25
] | [
8.691142082214355,
-125.69237518310547,
-16.526695251464844,
-103.02423095703125,
-11.579084396362305,
6.170920372009277,
-47.52139663696289,
-36.2905387878418,
17.487348556518555,
-34.21921157836914,
19.13044548034668,
-9.615917205810547,
15.818032264709473,
15.82998275756836,
51.909187... |
[H:24][C:9](=[C:7]([C:5](=[C:3]([C:4]([H:15])([H:16])[H:17])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:6]([H:18])([H:19])[H:20])[C:8]([H:21])([H:22])[H:23])[H:25] | [
1.9408400058746338,
-1.657541036605835,
-0.6310020089149475,
1.1194939613342285,
-1.2028989791870117,
0.4516890048980713,
0.8550779819488525,
0.22266699373722076,
0.2329539954662323,
2.068787097930908,
1.1524649858474731,
0.24282999336719513,
-0.34886500239372253,
0.8150929808616638,
0.1... | [
-221102.25
] | [
11.297504425048828,
7.063109397888184,
-62.871368408203125,
-111.10147857666016,
-6.43991756439209,
3.5528266429901123,
0.7191364169120789,
58.60980224609375,
26.90544319152832,
34.521888732910156,
-7.173562526702881,
-54.078330993652344,
51.889095306396484,
-95.80361938476562,
-23.34233... |
[H:10][C:1]1([C:2]([C:3]([C:4]1([H:15])[H:16])([H:14])[C:5]([H:17])([H:18])[C:6]2([C:7]([C:8]([C:9]2([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])[H:19])([H:12])[H:13])[H:11] | [
2.7038369178771973,
-0.8126000165939331,
-0.10345599800348282,
1.3193299770355225,
-0.6069129705429077,
-0.9792829751968384,
1.2438650131225586,
0.7593939900398254,
-0.21092699468135834,
2.012634038925171,
0.0847100019454956,
0.9078090190887451,
-0.1156729981303215,
1.4905849695205688,
-... | [
-221140.40625
] | [
4.52001428604126,
8.303048133850098,
-27.970523834228516,
79.24434661865234,
10.460451126098633,
-34.6902961730957,
-55.2520866394043,
-28.571393966674805,
4.0303473472595215,
12.270257949829102,
9.48459529876709,
53.46971893310547,
35.93474578857422,
21.001970291137695,
-27.934041976928... |
[H+:16].[H:17][C:6](=[C:5]([H:15])[C-:4](/[C:3](=[C:2](/[H:13])\[C:1]([H:10])([H:11])[H:12])/[H:14])[C:7]([H:19])([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[H:18] | [
3.3065590858459473,
0.17269599437713623,
0.5274819731712341,
2.521193027496338,
-0.6827939748764038,
-0.3596529960632324,
1.250967025756836,
-0.7669690251350403,
-0.7332770228385925,
0.03359200060367584,
0.02758900076150894,
-0.37994301319122314,
0.1903419941663742,
1.3826700448989868,
-... | [
-221096.671875
] | [
-25.56447982788086,
47.18771743774414,
9.409459114074707,
30.448455810546875,
-27.25208282470703,
-24.862104415893555,
-17.57846450805664,
-55.50761795043945,
-35.234500885009766,
7.643549919128418,
22.409847259521484,
25.802650451660156,
-65.65980529785156,
-62.55140686035156,
-5.267330... |
[H:22][C:8]1([C:9]([C:6]1([C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:7]([H:19])([H:20])[H:21])([H:24])[H:25])[H:23] | [
-1.9062459468841553,
-1.5932220220565796,
0.08100400120019913,
-1.685096025466919,
-0.3146139979362488,
-0.6529319882392883,
-0.5672600269317627,
0.4578720033168793,
0.07540400326251984,
-0.599399983882904,
1.9195029735565186,
-0.30283498764038086,
-0.7817389965057373,
1.35732901096344,
... | [
-221078.109375
] | [
0.65562504529953,
-93.93951416015625,
-0.5873264670372009,
-33.1145133972168,
30.80179786682129,
30.19141387939453,
87.98454284667969,
-64.92961883544922,
-75.08042907714844,
47.45191192626953,
6.199082374572754,
10.896068572998047,
-11.890856742858887,
41.24952697753906,
8.4591302871704... |
[H:24][C:9](=[C:7]([C:4](=[C:5]([H:17])[C:6]([H:18])([H:19])[H:20])[C:3]([H:15])([H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:8]([H:21])([H:22])[H:23])[H:25] | [
2.29740309715271,
-0.9155539870262146,
1.0173219442367554,
1.4499280452728271,
-1.5951160192489624,
0.052411001175642014,
0.7539520263671875,
-0.6171799898147583,
-0.931073009967804,
-0.27323099970817566,
0.3602350056171417,
-0.38860398530960083,
0.039062999188899994,
1.6088969707489014,
... | [
-221118.34375
] | [
93.6867446899414,
7.96685791015625,
24.554365158081055,
-63.4605712890625,
-15.614629745483398,
-12.599379539489746,
-4.975339889526367,
15.492838859558105,
-19.95040512084961,
2.098942279815674,
-8.066195487976074,
37.87596893310547,
15.077943801879883,
-17.350061416625977,
19.956174850... |
[H:10][C:1]1([C:2]([C:3]2([C:4]([C:5]([C:6]([C:7]1([H:20])[H:21])([C:8]([C:9]2([H:24])[H:25])([H:22])[H:23])[H:19])([H:17])[H:18])([H:15])[H:16])[H:14])([H:12])[H:13])[H:11] | [
1.94377601146698,
0.39485201239585876,
-0.06391599774360657,
0.8270450234413147,
1.4104609489440918,
-0.6393970251083374,
-0.7224389910697937,
1.2298940420150757,
-0.1514119952917099,
-1.5892059803009033,
0.20809699594974518,
-0.9653189778327942,
-1.1284899711608887,
-1.2749899625778198,
... | [
-221120.328125
] | [
25.06818389892578,
27.25140380859375,
0.29991549253463745,
-9.492737770080566,
9.659241676330566,
-5.007879734039307,
9.073126792907715,
3.78584623336792,
23.850831985473633,
-19.064725875854492,
22.10209083557129,
-14.438799858093262,
2.116957426071167,
-24.453672409057617,
-22.35459136... |
[H:19][C@@:6]1([C@@:8]([C:7]1([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12] | [
-2.1758639812469482,
-1.6115210056304932,
0.17933499813079834,
-1.219364047050476,
-0.6627020239830017,
0.8464930057525635,
-0.6193240284919739,
0.39167100191116333,
-0.12887200713157654,
-0.7350220084190369,
1.78861403465271,
0.3536500036716461,
-1.622154951095581,
1.4809609651565552,
-... | [
-221107.546875
] | [
-11.717710494995117,
-16.7036075592041,
-95.01028442382812,
-33.88459396362305,
-2.5710129737854004,
26.055906295776367,
-17.848140716552734,
-6.990116119384766,
23.760112762451172,
47.631595611572266,
116.08072662353516,
75.95608520507812,
-13.314111709594727,
-25.606491088867188,
-93.0... |
[H:22][C:8]1([C:9]([C:7]1([H:21])[C:4]2([C:5]([C:6]2([H:19])[H:20])([H:17])[H:18])[C:2]([H:13])([C:1]([H:10])([H:11])[H:12])[C:3]([H:14])([H:15])[H:16])([H:24])[H:25])[H:23] | [
2.6023149490356445,
-0.2799679934978485,
-0.3321009874343872,
1.2792919874191284,
0.4798159897327423,
-0.4441800117492676,
1.264441967010498,
1.7690730094909668,
0.42470699548721313,
0.029165999963879585,
-0.3606730103492737,
-0.13236699998378754,
0.12176699936389923,
-1.8159680366516113,
... | [
-221170.65625
] | [
-17.701171875,
-12.30663776397705,
-6.553199291229248,
-0.40971657633781433,
15.187639236450195,
6.903098106384277,
13.443643569946289,
-24.87748146057129,
-4.336705207824707,
17.627782821655273,
22.40338706970215,
-22.598724365234375,
4.706600666046143,
-38.82947540283203,
-16.028139114... |
[H:19][C@@:6]1([C@@:8]([C:7]1([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12] | [
-1.988582968711853,
1.5085610151290894,
-0.39605700969696045,
-1.117095947265625,
0.2748590111732483,
-0.9172530174255371,
-0.4345279932022095,
-0.37632301449775696,
0.19096000492572784,
-0.664277970790863,
-1.8321110010147095,
-0.08073200285434723,
-1.5838840007781982,
-1.0879859924316406... | [
-221103.4375
] | [
48.41015625,
-37.21162796020508,
28.293010711669922,
-64.3918685913086,
40.93962860107422,
-42.713993072509766,
-37.8426513671875,
1.2602158784866333,
22.399545669555664,
52.71992111206055,
-44.730289459228516,
-5.185508728027344,
52.619693756103516,
-28.357498168945312,
58.1962661743164... |
[H+:23].[H:24][C:9](=[C:8]([H:22])[C-:5]([C:3](=[C:4]([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:6]([H:17])([H:18])[C:7]([H:19])([H:20])[H:21])[H:25] | [
-2.564718008041382,
-0.6823989748954773,
1.1837069988250732,
-2.1618189811706543,
-0.7000830173492432,
-0.34609800577163696,
-0.9228500127792358,
0.12643800675868988,
-0.6250929832458496,
-1.0523639917373657,
1.2790470123291016,
-1.3405359983444214,
0.35335099697113037,
-0.2129330039024353... | [
-221082.125
] | [
-46.240455627441406,
-54.69451141357422,
27.79434585571289,
-1.764506459236145,
-31.573877334594727,
-10.9281005859375,
-34.45438766479492,
53.773406982421875,
-42.679893493652344,
-88.02781677246094,
6.290804386138916,
1.44515061378479,
114.22177124023438,
-44.470909118652344,
-5.551568... |
[H:19][C@@:6]1([C@@:8]([C:7]1([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[C@:5]2([C@:3]([C:4]2([H:16])[H:17])([H:15])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:18] | [
-2.802402973175049,
0.9576150178909302,
-0.2027920037508011,
-2.7805490493774414,
-0.48500901460647583,
-0.3054710030555725,
-1.3899199962615967,
-0.7865920066833496,
0.13697800040245056,
-0.7683740258216858,
0.092289999127388,
1.167726993560791,
-0.15906399488449097,
0.001230000052601099,... | [
-221053.84375
] | [
-95.49787139892578,
77.5607681274414,
-66.69126892089844,
86.73600006103516,
-18.912878036499023,
11.304595947265625,
38.48808288574219,
-72.50172424316406,
36.457637786865234,
-33.45655822753906,
81.6372299194336,
-54.852256774902344,
31.391342163085938,
-20.561111450195312,
-117.845947... |
[H:14][C:3](=[C:2]([H:13])[C:1]([H:10])([H:11])[H:12])/[C:4](=[C:5](\[H:15])/[C:6]([H:16])([H:17])[H:18])/[C:7]([H:19])([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25] | [
2.775139093399048,
0.08079200237989426,
1.0136899948120117,
2.4459989070892334,
-0.5625720024108887,
-0.2609120011329651,
1.2916990518569946,
-0.9494439959526062,
-0.8681269884109497,
0.12382400035858154,
-0.09397199749946594,
-0.48125898838043213,
0.299780011177063,
1.1350840330123901,
... | [
-221078.140625
] | [
16.834123611450195,
26.5390682220459,
-29.56719398498535,
56.38869857788086,
-67.41421508789062,
-91.1830825805664,
-16.97650718688965,
21.187341690063477,
47.63166046142578,
-27.00412368774414,
-180.42274475097656,
46.48698425292969,
-97.92607879638672,
120.15133666992188,
66.8710327148... |
[H:17][C:5]1([C@@:3]2([C@:8]([C:2]2([H:13])[C:1]([H:10])([H:11])[H:12])([C:7]([C:6]1([H:19])[H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:4]([H:14])([H:15])[H:16])[H:18] | [
2.6999189853668213,
-0.060120001435279846,
0.25377199053764343,
1.4579819440841675,
0.4492430090904236,
-0.4433459937572479,
0.146698996424675,
0.668645977973938,
0.4285629987716675,
-0.388031005859375,
1.9988059997558594,
-0.11822099983692169,
-0.9663450121879578,
0.008775999769568443,
... | [
-221119.671875
] | [
34.22101974487305,
-9.508062362670898,
-20.62978744506836,
-38.635189056396484,
-59.57184600830078,
39.33427810668945,
-16.643978118896484,
16.428157806396484,
-32.891502380371094,
-5.113539218902588,
19.676467895507812,
-14.789996147155762,
-8.282851219177246,
17.029531478881836,
41.938... |
[H:17][C:5]1([C:4]([C:3]2([C:2]([C:7]([C:6]1([H:19])[H:20])([C:8]2([H:22])[C:9]([H:23])([H:24])[H:25])[H:21])([H:13])[C:1]([H:10])([H:11])[H:12])[H:14])([H:15])[H:16])[H:18] | [
1.6360620260238647,
1.8482040166854858,
-0.010173999704420567,
0.20837199687957764,
1.2607359886169434,
-0.014955000020563602,
-0.25834399461746216,
0.16327999532222748,
-1.0643880367279053,
0.803642988204956,
-0.9024490118026733,
-1.2620179653167725,
1.1216830015182495,
-1.622805953025817... | [
-221191.9375
] | [
-11.094559669494629,
-38.50506591796875,
11.742154121398926,
-14.587401390075684,
-7.693173885345459,
-0.9379891753196716,
-9.896297454833984,
33.105892181396484,
-11.023124694824219,
-19.098098754882812,
-13.617659568786621,
-28.71846580505371,
40.16957092285156,
-7.612058162689209,
21.... |
[H+:25].[H:23][C-:9]([H:24])[C@:8]1([C@@:7]2([C@:5]([C:6]2([H:19])[H:20])([C@@:3]([C@@:2]1([H:13])[C:1]([H:10])([H:11])[H:12])([H:14])[C:4]([H:15])([H:16])[H:17])[H:18])[H:21])[H:22] | [
1.9434900283813477,
0.984682023525238,
-0.07598800212144852,
0.8403549790382385,
0.4508900046348572,
0.715254008769989,
0.6979550123214722,
-0.9761599898338318,
0.5496990084648132,
1.5922670364379883,
-1.586135983467102,
-0.6045370101928711,
-0.6535739898681641,
-1.0277819633483887,
-0.0... | [
-221023.5
] | [
108.35638427734375,
21.960304260253906,
-33.14849853515625,
-12.7904634475708,
66.12832641601562,
21.796619415283203,
50.44273376464844,
-159.35223388671875,
9.793617248535156,
32.41792297363281,
-1.9901291131973267,
-24.47148895263672,
-40.01401138305664,
-14.212646484375,
-13.024229049... |
[H:19][C-:6]([H:20])[C:5]([H:17])([H:18])[C@:3]1([C@@:2]([C@@:8]1([C+:7]([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])([H:13])[C:1]([H:10])([H:11])[H:12])[C:4]([H:14])([H:15])[H:16] | [
2.617443084716797,
0.2091590017080307,
0.3721260130405426,
1.3510240316390991,
0.702983021736145,
-0.31657201051712036,
-0.05974999815225601,
0.7515569925308228,
0.2964690029621124,
-0.8327919840812683,
2.1066770553588867,
-0.41314399242401123,
-1.004652976989746,
0.30859100818634033,
1.... | [
-221027.515625
] | [
-52.70915985107422,
-81.73188781738281,
-83.98629760742188,
-18.94748306274414,
25.386537551879883,
6.789687633514404,
10.957985877990723,
34.270164489746094,
-57.26618957519531,
72.11014556884766,
-33.44476318359375,
0.019459323957562447,
-2.8911430835723877,
-88.90694427490234,
-12.221... |
[H:10][C:1]1([C:2]([C:3]([C:4]1([H:15])[H:16])([H:14])[C:5]([H:17])([H:18])[C:6]2([C:7]([C:8]([C:9]2([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])[H:19])([H:12])[H:13])[H:11] | [
2.5597610473632812,
-0.9209669828414917,
-0.046606000512838364,
1.4353280067443848,
-0.5552930235862732,
-1.0408509969711304,
1.2408039569854736,
0.7469959855079651,
-0.22477400302886963,
1.9388580322265625,
0.07882100343704224,
0.9633380174636841,
-0.04275299981236458,
1.5437129735946655,... | [
-221172.125
] | [
-1.5699061155319214,
-0.8382853269577026,
-6.719588756561279,
-0.9083021283149719,
-0.0798105001449585,
-12.03878116607666,
4.454350471496582,
17.661664962768555,
-8.168112754821777,
23.875017166137695,
-5.937138080596924,
2.888092041015625,
-7.65513277053833,
-1.547114610671997,
7.64206... |
[H:22][C:8]1([C:9]([C:6]1([C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:7]([H:19])([H:20])[H:21])([H:24])[H:25])[H:23] | [
-1.7384140491485596,
-1.9413080215454102,
0.13129499554634094,
-1.5449789762496948,
-0.5284870266914368,
-0.7534409761428833,
-0.46946901082992554,
0.4464710056781769,
-0.0505170002579689,
-0.7520310282707214,
1.7870830297470093,
-0.46954500675201416,
-0.9727020263671875,
1.707348942756652... | [
-221064.96875
] | [
85.86709594726562,
51.32427978515625,
4.908913612365723,
44.23678207397461,
-58.15668869018555,
59.75965118408203,
-101.1163330078125,
-2.721409559249878,
-22.126510620117188,
-50.936859130859375,
27.802722930908203,
-123.67790985107422,
-116.57183837890625,
-32.357357025146484,
32.86092... |
[H:19][C@@:6]1([C@@:8]([C:7]1([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[C:3]2([C:4]([C:5]2([H:17])[H:18])([H:15])[H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12] | [
-2.0181069374084473,
-1.6482290029525757,
0.1388999968767166,
-1.3383359909057617,
-0.49558699131011963,
0.883072018623352,
-0.6149430274963379,
0.41219499707221985,
-0.0049749999307096004,
-0.30936500430107117,
1.8560220003128052,
0.26973098516464233,
-1.3980439901351929,
1.54361295700073... | [
-221141.5625
] | [
-44.86404037475586,
62.978187561035156,
21.056406021118164,
9.875436782836914,
-25.38442039489746,
53.18263244628906,
18.565021514892578,
27.286460876464844,
-41.99626541137695,
3.7335243225097656,
-21.843048095703125,
-19.786693572998047,
-34.76861572265625,
-13.068132400512695,
-12.611... |
[H:15][C:4](=[C:3]([H:14])[C@:2]([H:13])([C:5](=[C:7]([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:6]([H:17])([H:18])[H:19])[C:1]([H:10])([H:11])[H:12])[H:16] | [
-0.9862470030784607,
-0.9140390157699585,
1.6811660528182983,
-1.0549370050430298,
-0.02751299925148487,
0.4530850052833557,
-1.8155020475387573,
-0.3719100058078766,
-0.7930759787559509,
-2.8973989486694336,
0.30842798948287964,
-1.1649290323257446,
0.3950600028038025,
0.5253819823265076,... | [
-221118.21875
] | [
-55.02978515625,
33.53651428222656,
49.21662139892578,
45.01465606689453,
49.734588623046875,
15.568166732788086,
2.221193313598633,
20.694841384887695,
17.877239227294922,
-7.401278495788574,
-80.54861450195312,
-63.28392791748047,
33.89628219604492,
2.692007064819336,
-33.8551902770996... |
[H:22]/[C:8](=[C:6](\[C:3](=[C:4](\[H:15])/[C:5]([H:16])([H:17])[H:18])\[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])/[C:7]([H:19])([H:20])[H:21])/[C:9]([H:23])([H:24])[H:25] | [
-2.6324639320373535,
-1.223304033279419,
0.264508992433548,
-1.8806380033493042,
-0.4183740019798279,
-0.9350050091743469,
-0.6317139863967896,
0.32340800762176514,
-0.2875320017337799,
-0.8239560127258301,
1.6108779907226562,
-0.16329799592494965,
0.016627000644803047,
2.6106929779052734,... | [
-221059.1875
] | [
-22.230966567993164,
15.747085571289062,
25.740869522094727,
49.83466339111328,
-13.119948387145996,
10.007675170898438,
-64.20146942138672,
0.6989466547966003,
-3.9541001319885254,
-0.6787936091423035,
86.5086669921875,
-9.048727989196777,
-24.621206283569336,
60.32097244262695,
45.1725... |
[H:24][C:9](=[C:8]([H:23])[C:5](=[C:6]([H:19])[C:7]([H:20])([H:21])[H:22])[C@@:3]([H:15])([C:4]([H:16])([H:17])[H:18])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:25] | [
1.63468599319458,
0.09148100018501282,
1.9263989925384521,
1.8976960182189941,
-0.2462559938430786,
0.5006679892539978,
0.6919119954109192,
-0.978725016117096,
-0.2706579864025116,
1.0859750509262085,
-1.1122980117797852,
-1.7809489965438843,
-0.6429499983787537,
-0.16818100214004517,
-0... | [
-221153.828125
] | [
4.93024206161499,
-14.873697280883789,
20.55988311767578,
9.665486335754395,
-38.2557487487793,
-48.159122467041016,
10.020204544067383,
48.31706237792969,
-24.835908889770508,
22.152679443359375,
2.299853563308716,
57.07347869873047,
33.41322708129883,
27.942045211791992,
24.20322418212... |
[H:24][C:9](=[C:8]([H:23])/[C:5](=[C:6](/[H:19])\[C:7]([H:20])([H:21])[H:22])/[C@@:3]([H:15])([C:4]([H:16])([H:17])[H:18])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:25] | [
-1.796625018119812,
-1.0019149780273438,
-1.5419950485229492,
-1.9809019565582275,
-0.4154910147190094,
-0.1291169971227646,
-0.6714590191841125,
-0.5772110223770142,
0.6675379872322083,
-0.8742370009422302,
-0.09020999819040298,
2.112173080444336,
0.5860940217971802,
-0.019646000117063522... | [
-221170.484375
] | [
-44.04522705078125,
-11.919756889343262,
44.532196044921875,
-7.206822395324707,
17.13702964782715,
-11.696104049682617,
8.847068786621094,
-33.19181823730469,
-4.929419994354248,
-2.1941115856170654,
-22.67064666748047,
15.25033187866211,
22.184812545776367,
-5.270951747894287,
10.16468... |
[H:17][C:5]1([C:4]([C:3]2([C:2]([C:7]([C:6]1([H:19])[H:20])([C:8]2([H:22])[C:9]([H:23])([H:24])[H:25])[H:21])([H:13])[C:1]([H:10])([H:11])[H:12])[H:14])([H:15])[H:16])[H:18] | [
1.178246021270752,
2.010880947113037,
-0.045072998851537704,
-0.11359900236129761,
1.158607006072998,
-0.001550000044517219,
-0.3524399995803833,
0.04288399964570999,
-0.9992899894714355,
0.9765490293502808,
-0.67467200756073,
-1.3000210523605347,
1.4446619749069214,
-1.3965200185775757,
... | [
-221170.21875
] | [
13.861251831054688,
-12.76982593536377,
33.54111099243164,
21.04650115966797,
12.48659610748291,
4.219809532165527,
-1.4312717914581299,
-40.66596221923828,
-32.803131103515625,
-22.101707458496094,
35.49707794189453,
11.021166801452637,
-28.68832015991211,
15.260757446289062,
43.1285781... |
[H:17][C:5]1([C:4]([C:3]2([C:8]([C:6]1([C:9]2([H:24])[H:25])[C:7]([H:19])([H:20])[H:21])([H:22])[H:23])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])([H:15])[H:16])[H:18] | [
3.0852890014648438,
-0.8155909776687622,
-0.008000999689102173,
2.0963120460510254,
0.3544270098209381,
-0.11998199671506882,
0.5256580114364624,
0.25742900371551514,
0.014023000374436378,
-0.1305769979953766,
1.5955100059509277,
-0.12364199757575989,
-1.5501290559768677,
1.122869014739990... | [
-221119.125
] | [
-22.499011993408203,
-44.551300048828125,
37.19052505493164,
-8.782880783081055,
-12.725061416625977,
71.68582916259766,
117.717041015625,
46.13075637817383,
-0.2931503653526306,
59.2772216796875,
85.749267578125,
20.028715133666992,
-63.711727142333984,
93.5396499633789,
-45.99963378906... |
[H:15][C:4](=[C:3]([H:14])[C@:2]([H:13])([C:5](=[C:7]([C:8]([H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:6]([H:17])([H:18])[H:19])[C:1]([H:10])([H:11])[H:12])[H:16] | [
-1.2462669610977173,
-0.8508480191230774,
1.6906019449234009,
-0.9934629797935486,
0.09537799656391144,
0.49015098810195923,
-1.7699819803237915,
-0.3599199950695038,
-0.7293379902839661,
-2.8552350997924805,
0.31300899386405945,
-1.139093041419983,
0.46290498971939087,
0.5525469779968262,... | [
-221175.21875
] | [
23.198728561401367,
9.378890991210938,
4.710516452789307,
-7.376673698425293,
-2.663156032562256,
-2.875121593475342,
-17.041425704956055,
6.455188751220703,
-1.314690113067627,
29.224838256835938,
0.2456677258014679,
-10.159473419189453,
-25.021547317504883,
-7.374546527862549,
13.45392... |
[H:21][C:7](=[C:8]([H:22])[C:9]([H:23])([H:24])[H:25])[C:6](=[C:4]([C:5]([H:17])([H:18])[H:19])[C:3]([H:15])([H:16])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:20] | [
-4.236792087554932,
-0.4202190041542053,
-0.2993139922618866,
-2.650067090988159,
-0.24665600061416626,
-0.5595470070838928,
-1.7783889770507812,
0.10790400207042694,
0.7679650187492371,
-0.37587499618530273,
0.15417400002479553,
0.33978599309921265,
-0.16371500492095947,
1.728986024856567... | [
-221101.90625
] | [
-32.01519012451172,
1.8610358238220215,
-3.266939401626587,
-2.6662404537200928,
-41.442779541015625,
37.95690155029297,
-99.17655181884766,
-20.036006927490234,
47.62677001953125,
11.491744995117188,
101.73785400390625,
-23.539363861083984,
10.165095329284668,
-10.150716781616211,
21.63... |
[H:22][C@:7]12[C@@:9]([C:8]1([H:23])[H:24])([C@:3]([C:4]([C@:5]2([H:18])[C:6]([H:19])([H:20])[H:21])([H:16])[H:17])([H:15])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[H:25] | [
-3.026916027069092,
-0.160303995013237,
0.41813400387763977,
-1.8609310388565063,
-1.25701904296875,
0.3780739903450012,
-0.6579399704933167,
-0.5153980255126953,
-0.6247090101242065,
0.7956669926643372,
-1.154634952545166,
-0.5005279779434204,
1.8853460550308228,
-0.039101000875234604,
... | [
-220954.8125
] | [
-48.064109802246094,
-51.198360443115234,
19.08330726623535,
37.140846252441406,
-71.49056243896484,
-46.00691604614258,
-81.11238861083984,
-86.1417465209961,
-8.669676780700684,
10.152519226074219,
-53.26901626586914,
38.46018981933594,
-76.57072448730469,
2.6001036167144775,
-2.842830... |
[H:16][C:4](=[C:3]([H:15])[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])[C:5]1([C@@:6]([C@:8]1([H:22])[C:9]([H:23])([H:24])[H:25])([H:18])[C:7]([H:19])([H:20])[H:21])[H:17] | [
-3.9743471145629883,
0.13869799673557281,
0.5476179718971252,
-3.0135910511016846,
-0.08784200251102448,
-0.5873640179634094,
-1.636294960975647,
0.30729201436042786,
-0.40035900473594666,
-0.5876970291137695,
-0.5114049911499023,
-0.08867000043392181,
0.571278989315033,
0.0742549970746040... | [
-221120.65625
] | [
54.71462631225586,
52.125526428222656,
11.5308256149292,
-10.688185691833496,
-110.68053436279297,
-38.185394287109375,
53.04923629760742,
-95.3080825805664,
34.37525177001953,
-52.6739387512207,
-45.753448486328125,
-7.2139363288879395,
38.62882995605469,
52.004173278808594,
24.27910995... |
[H:17][C:5]1([C:4]([C:3]2([C:2]([C:7]([C:6]1([H:19])[H:20])([C:8]2([H:22])[C:9]([H:23])([H:24])[H:25])[H:21])([H:13])[C:1]([H:10])([H:11])[H:12])[H:14])([H:15])[H:16])[H:18] | [
1.4755849838256836,
1.8181159496307373,
-0.043248001486063004,
0.07455900311470032,
1.1978310346603394,
-0.02936200052499771,
-0.2971850037574768,
0.1077750027179718,
-1.0911970138549805,
0.8597930073738098,
-0.8207169771194458,
-1.3604170083999634,
1.3047549724578857,
-1.4899660348892212,... | [
-221169.328125
] | [
-12.699251174926758,
21.413414001464844,
-59.890811920166016,
7.447906970977783,
63.83116912841797,
-29.572477340698242,
-29.027368545532227,
22.583528518676758,
27.590864181518555,
14.925736427307129,
-14.213444709777832,
8.627481460571289,
-6.9091010093688965,
-1.6120667457580566,
18.5... |
[H:17][C:5]1([C@:3]2([C@@:8]([C:2]2([H:13])[C:1]([H:10])([H:11])[H:12])([C:7]([C:6]1([H:19])[H:20])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[C:4]([H:14])([H:15])[H:16])[H:18] | [
2.7656240463256836,
0.06657099723815918,
0.21841199696063995,
1.3822020292282104,
0.24585600197315216,
-0.47593000531196594,
0.11156199872493744,
0.7232019901275635,
0.26244398951530457,
-0.4633390009403229,
1.9946500062942505,
-0.3185659945011139,
-0.9139350056648254,
0.3492160141468048,
... | [
-220983.25
] | [
-13.786948204040527,
-19.277563095092773,
67.67949676513672,
-23.200910568237305,
18.751523971557617,
46.47182083129883,
15.038009643554688,
-15.73798942565918,
-9.309680938720703,
43.17027282714844,
85.1241683959961,
-25.15874481201172,
-19.59125518798828,
1.9747134447097778,
94.3856887... |
[H:24][C:9](=[C:8]([H:23])/[C:5](=[C:3](/[C:4]([H:15])([H:16])[H:17])\[C:2]([H:13])([H:14])[C:1]([H:10])([H:11])[H:12])/[C:6]([H:18])([H:19])[C:7]([H:20])([H:21])[H:22])[H:25] | [
-2.381783962249756,
0.26047399640083313,
1.159193992614746,
-1.9376579523086548,
0.3230170011520386,
-0.3041059970855713,
-0.730430006980896,
-0.3778589963912964,
-0.5717620253562927,
-1.1580350399017334,
-1.7669509649276733,
-0.7199419736862183,
0.6015920042991638,
0.11455299705266953,
... | [
-221028.9375
] | [
35.374088287353516,
41.244712829589844,
68.99398803710938,
-38.42463684082031,
116.63203430175781,
7.93572998046875,
125.46873474121094,
11.644776344299316,
23.718393325805664,
-31.761735916137695,
-158.00631713867188,
-13.063897132873535,
-158.4776153564453,
44.1572380065918,
4.63115549... |
[H+:21].[H+:22].[H+:23].[H:17][C-:4]([C+:5]([C-:7]([C-3:8])[C+:9]([H:24])[H:25])[C:6]([H:18])([H:19])[H:20])[C:2]([H:13])([C:1]([H:10])([H:11])[H:12])[C:3]([H:14])([H:15])[H:16] | [
-1.8308180570602417,
-0.39801299571990967,
1.4394999742507935,
-1.9555339813232422,
0.4741959869861603,
0.19649699330329895,
-2.137515068054199,
-0.4355669915676117,
-1.0873379707336426,
-0.5250700116157532,
1.1692240238189697,
-0.09321100264787674,
0.7362099885940552,
0.7070320248603821,
... | [
-221008.015625
] | [
40.42288589477539,
-27.479732513427734,
1.1119396686553955,
29.31866455078125,
23.276811599731445,
-15.37413501739502,
57.24433898925781,
41.8473014831543,
-30.736133575439453,
-53.64387893676758,
-38.61743927001953,
-0.6757057309150696,
-1.2425459623336792,
35.57197189331055,
0.22086034... |
[H:25][C@:9]12[C@@:2]([C:3]([C:4]([C:5]([C@@:6]1([C:8]2([H:23])[H:24])[C:7]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])([H:13])[C:1]([H:10])([H:11])[H:12] | [
-2.4033150672912598,
-0.3967669904232025,
0.20221099257469177,
-1.2628250122070312,
0.25908899307250977,
-0.49670499563217163,
-0.7370100021362305,
1.524158000946045,
0.18331800401210785,
0.7752580046653748,
1.8488459587097168,
-0.12591400742530823,
1.785053014755249,
0.6312429904937744,
... | [
-221134.515625
] | [
-25.836868286132812,
-5.108760356903076,
28.544172286987305,
-14.039624214172363,
-9.138297080993652,
-62.43647003173828,
58.02092361450195,
-57.11377716064453,
37.912132263183594,
-5.222414970397949,
-3.6554677486419678,
13.348976135253906,
-0.21253708004951477,
-19.535551071166992,
10.... |
[H+:11].[H:10][C-:1]([H:12])[C@:2]1([C@:9]2([C@@:5]([C:6]([C@:7]2([H:21])[C:8]([H:22])([H:23])[H:24])([H:19])[H:20])([C:4]([C:3]1([H:14])[H:15])([H:16])[H:17])[H:18])[H:25])[H:13] | [
-1.8417669534683228,
1.9419859647750854,
0.14347100257873535,
-1.2216370105743408,
0.6858239769935608,
-0.4541949927806854,
-2.172590970993042,
-0.49781298637390137,
-0.12636199593544006,
-1.3040460348129272,
-1.5530190467834473,
0.5631430149078369,
-0.0009200000204145908,
-1.1923110485076... | [
-221022.609375
] | [
36.948692321777344,
37.08103942871094,
90.54637908935547,
-57.435691833496094,
47.22064971923828,
-81.49581909179688,
-42.955963134765625,
-15.901652336120605,
65.16161346435547,
100.828857421875,
-119.42256927490234,
43.392242431640625,
79.58165740966797,
23.998701095581055,
3.816120386... |
[H:10][C:1]1([C:2]([C:3]2([C:4]([C:5]([C:6]([C:7]1([H:20])[H:21])([C:8]([C:9]2([H:24])[H:25])([H:22])[H:23])[H:19])([H:17])[H:18])([H:15])[H:16])[H:14])([H:12])[H:13])[H:11] | [
1.9832539558410645,
0.3317840099334717,
-0.25074800848960876,
0.8189190030097961,
1.442702054977417,
-0.6090419888496399,
-0.7179679870605469,
1.217900037765503,
-0.14207200706005096,
-1.689437985420227,
0.22767800092697144,
-0.9091160297393799,
-1.2222909927368164,
-1.2735799551010132,
... | [
-221117.828125
] | [
-24.2559814453125,
44.7938232421875,
13.21181869506836,
7.468240261077881,
-46.81147003173828,
-34.81282424926758,
14.563901901245117,
34.26335906982422,
9.91563892364502,
-28.294721603393555,
11.928218841552734,
-13.661581039428711,
-50.5676383972168,
-43.370262145996094,
-27.9069995880... |
[H:13]/[C:2](=[C:3](/[C@:5]1([C@@:8]([C:7]([C:6]1([H:18])[H:19])([H:20])[H:21])([H:22])[C:9]([H:23])([H:24])[H:25])[H:17])\[C:4]([H:14])([H:15])[H:16])/[C:1]([H:10])([H:11])[H:12] | [
1.1593060493469238,
2.124393939971924,
0.7343639731407166,
1.6203080415725708,
0.6639919877052307,
0.4551529884338379,
1.150452971458435,
-0.36452800035476685,
-0.26704099774360657,
2.039499044418335,
-1.6661449670791626,
-0.4169119894504547,
-0.2707499861717224,
-0.4392879903316498,
-0.... | [
-221148.0625
] | [
-9.982129096984863,
-27.395381927490234,
-46.88473892211914,
6.238231182098389,
2.547065258026123,
-12.127470016479492,
-12.044637680053711,
-15.071826934814453,
24.334243774414062,
1.6941101551055908,
39.26243591308594,
52.88317108154297,
73.16266632080078,
49.568843841552734,
-30.50568... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.