Datasets:
Zhaohan-Meng
/
InteractBind

Dataset card Data Studio Files
xet
 Community
1
pubchem_id
string
uniprot_id
string
selfies
string
smiles
string
saprot
string
fasta
string
att_site
string
label
int64
affinity
float64
Hydrogen bonding_binding_site
string
Salt Bridges_binding_site
string
π–π Stacking_binding_site
string
Cation–π_binding_site
string
Hydrophobic_binding_site
string
Van der Waals_binding_site
string
Overall_binding_site
string
s618
P29473
[CH2][C@@H1][Branch2][Ring1][#Branch1][CH2][CH1][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH0][Branch1][C][CH3][=CH1][Ring1][O][C@H1][Branch2][Ring1][Branch2][NH0][Branch1][C][H][CH2][CH2][NH0][Branch1][C][H][CH2][CH2][CH0][=CH1][CH1][=CH1][CH0][Branch1][C][FH0][=CH1][Ring1][#Branch1][CH...
CC1=CC(C[C@@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)NC(N)=C1
GdPdKpFaPdRwVwKaNqWqEvLvGgSdIiTaYgDfTpLlCqAvQqSfQdQdDdGdPqCdTdPpRvRdCdLpGlSpLdVpLdPrPdPaAlEvQvLlLlSvQlAqRlDvFlIlNqQvYvYcSvSvIvKvRnSpGpShQvAvHsEvEvRvLnQvEvVqEvAvEvVcAvSpTfGvThYdHdLdRdEpSvEsLvVvFvGqAvKlQvAqWvRqNaAdPqRqCdVlGqRnIlQcWsGvKfLeQaVeFaDeAaRqDvCdSaSdAqQvEvMvFvTvYvIvClNvHvIlKcYqAqTpNvRqGqNaLgRgSwAyIkTyVfFyPhQwRdAg...
GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPPPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWK...
3JWZ_1_k12
1
-9.3
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753
O00214
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MSRSETLFNNAQKHIPGGVNSPVRAFKSVGGTPLFFKHAEGAYVLDEDDKRYVDYVGSWGPMILGHSHPDVLDAVRRQLDHGLSYGAPTALEVEMADLVCSMVPSMEMVRMVSSGTEATMSAIRLARGYTGRDSIIKFEGCYHGHSDSLLVKAGSTFGVPNSPGVPAAFAKHTLTLPFNDIEAVRKTLGEVGKEVACIIVEPVAGNMNCVPPAPGFLEGLREACDEHGVVLIFDEVMTGFRVALGGAQAYYGVTPDLSTFGKIIGGGMPVGAFGGKREIMQQISPLGPVYQAGTLNPLAMAAGLTTLRLISRPGFHDELT...
5I92_1_k12
0
-3.9
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174
Q119M3
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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PTTFDALRRQLIPSFDLIYEAAVRTVAATVPTAPRVLDLGAGTGLLSAAILRELPDSEVVLVDRSELMLTQARGRFVTVQTGDLTDPLPEGGFDAVVSGLAIHHLSHTGKRDLFRRIREALRPGGVFVNVEQVQGPLPHLESLYDSQHELHVIREQAPAHEWAAGRERMKFDVCIDLETQLQWLRDAGFRSVDCLAKDFRFATYAGWV
9FCE_2_k12
0
-2.3
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753
Q659L0
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SFKYESAVQYRPAPDSYLNPCPQAGRIVKETYTGINGTKSLNVYLPYGYDPNKKYNIFYLMHGGGENENTIFSNDVKLQNILDHAIMNGELEPLIVVTPTFNGGNCTAQNFYQEFRQNVIPFVESKYSTYAESTTPQGIAASRMHRGFGGFAMGGLTTWYVMVNCLDYVAYFMPLSGDYWYGNSPQDKANSIAEAINRSGLSKREYFVFAATGSEDIAYANMNPQIEAMKALPHFDYTSDFSKGNFYFLVAPGATHWWGYVRHYIYDALPYFFHELEHHHHHHSFKYESAVQYRPAPDSYLNPCPQAGRIVKETYTGING...
1WB6_1_k12
0
-4.4
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174
Q75W17
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
5S7C_2_k12
0
-2.5
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11182
P9WGR1
[CH2][Branch1][Ring1][CH2][CH3][OH0][CH3]
CCCOC
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GLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGLGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL
4OXK_1_k12
0
-2.7
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76419836
P47229
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O=C(O)C(=O)CCC=C(O)c1ccccc1
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3V1N_3_k12
1
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174
Q9RDE9
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4DYE_1_k12
0
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174
Q02127
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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IDPFTARPSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATNRFRFHFQGPCGTTLPEALA
6EQS_1_k12
0
-2.2
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193398
P16442
[CH2][C@H1][C@@H1][Branch1][P][C@H1][Branch1][O][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][CH3][SH0][Ring1][=N][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Ring1][P][CH0][=Branch1][C][=OH0][OH0][CH3]
COC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2C(=O)OC
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HMLEKVVIANRGEIALRILRACKELGIKTVAVHSTADRDLKHVLLADETICIGPAPSAKSYLNIPAIIAAAEVTGADAIHPGYGFLSENADFAEQVERSGFTFIGPTADVIRLMGDKVSAIKAMKKAGVPCVPGSDGPAKNKEIAKRIGYPIIIKRVVRSEDALEESIAMTKAEYMEKYLENPRHVEIQVLADTHGNAVYLAERDCSMQRRHQKVVEEAPAPGITEEVRRDIGSRCANACVEIGYRGAGTFEFLYENGEFYFIEMNTRIQVEHPVTEMITGVDLVKEQLRIAAGLPISFKQEDIKVKGHAMECRINAEDP...
4RZQ_2_k12
2
-6.6
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439357
P00811
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][P]
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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3SXE_1_k12
2
-5
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Q939D2
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Q9I685
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5962
Q3YX23
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5XGX_1_k12
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90659358
Q06124
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PRGSQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFMGSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDVSATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIVSGLVPRGSQILCVGLVVLDVIS...
8OMK_1_k12
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15906
P00720
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OCCSSCCO
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2Q9E_1_k12
0
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25113134
P07984
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Cc1cn([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
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5ZB4_1_k12
1
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1567
P00720
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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144L_1_k12
0
-1.9
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s626
Q9SV68
[CH2][Branch1][=N][CH2][CH2][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][CH2][CH2][CH0][=Branch1][C][=OH0][CH2][CH1][=CH1][CH3]
CC=CCC(=O)CCC=CCCCCCCCC(=O)O
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5A3J_1_k12
2
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439352
P11838
[C@@H1][Branch1][Ring2][CH2][SH0][H][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][SH0][H]
O[C@H](CS)[C@@H](O)CS
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5AQW_3_k12
0
-2.8
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s391
P43250
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][Ring1][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][Branch1][NH0][CH2][CH0][Branch1][O][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][OH0][H][=C...
NC1=C2NCN([C@@H]3O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]4O[C@@H](N5C=CC=C(C(N)O)C5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3OP(=O)(O)O)C2NCN1
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NLLPKTFRTKSGKEISIALGTGTKWKQAQTINDVSTELVDNILLGLKLGFRHIDTAEAYNTQKEVGEALKRTDVPREDIWVTTKYSPGWGSIKAYSKSPSDSIDKALAQLGVDYVDLFLIHSPFFTTEQTHGYTLEQAWEALVEAKKAGKVREIGISNAAIPHLEKLFAASPSPEYYPVVNQIEFHPFLQNQSKNIVRFCQEHGILVEAFSPLAPLARVETNALAETLKRLAEKYKKTEAQVLLRYTLQRGILPVTTSSKESRLKESLNLFDFELTDEEVNEINKIGDANPYRAFFHEQFKDLLLPKTFRTKSGKEISIA...
4H8N_1_k12
1
-12
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753
P82953
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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PVKIGPWGGNGGSERDVQPKPIRMVSMTVSSGAIVDAIAFTYVGTDNVQHSSGIKWGGTGGTEDTINLDATNYVTEISGTVGKFGTDDIVTSLKIITSKGVTRTYGSGTGIPFRVPVLDGGKIAGFFGRAGAFLDAIGFYITPKPVKIGPWGGNGGSERDVQPKPIRMVSMTVSSGAIVDAIAFTYVGTDNVQHSSGIKWGGTGGTEDTINLDATNYVTEISGTVGKFGTDDIVTSLKIITSKGVTRTYGSGTGIPFRVPVLDGGKIAGFFGRAGAFLDAIGFYITP
7V4Z_1_k12
0
-3.1
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445184
485225
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][#C]
OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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7LR6_1_k12
2
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444205
P0DTC2
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][C]
CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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7PN4_1_k12
0
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174
P42556
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4O7E_2_k12
0
-2.6
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31291
Q03181
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][CH1][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCC=O
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6GEI_1_k12
2
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s483
P49366
[C@H1][Branch1][S][C@][Branch1][C][CH3][Branch1][C][CH3][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Branch1][C][H][NH0][Branch1][C][H][CH0][Branch1][P][CH0][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][CH1][Branch1][C][CH3][SH0][Ring1][Branch2][=CH1][Ring2][Ring1][Branch2]
CC1=C(C2=C[C@@H](C(C)(C)c3ccccc3)NN2)SC(C)N1
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5K0E_1_k12
1
-8.6
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753
P36649
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6ND9_1_k12
0
-2.5
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753
P0DTC1
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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KTVFHLGVTEADLNGATLAIIPGDPARVQKIAELMDNPVFLASHREYTVYRAELDGQSVVVCSTGIGGPSTSIAVEELAQLGVRTFLRVGTTGAIQPHVNVGDMIVTTGSVRLDGASLHFAPMEFPAVPDFDVATAMKAAAQESGATVHMGVTASSDTFYPGQERYDTFTGRVVRRFQGSMKEWQDMGVLNFEMESATLLTMCASSGLKAGCVAGVIINRTQKEIPDHATLKETEARSIKVVVEAARKMLKKTVFHLGVTEADLNGATLAIIPGDPARVQKIAELMDNPVFLASHREYTVYRAELDGQSVVVCSTGIGGP...
6Z9Z_3_k12
0
-3.8
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447607
P0C0Y9
[NH0][Branch1][C][H][CH2][C@H1][Branch1][Ring2][CH2][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][Ring1][=C]
OC[C@H]1CNC[C@@H](O)[C@@H]1O
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NNLGTELDYDTFCFYYDWYGSEAIDGQYRHWAHAIAPDPNGGSGQNPGTIPGTQESIASNFYPQLGRYSSSDPNILTKHMDMFVMARTGVLALTWWNEQDETEAKRIGLILDAADKKKIKVCFHLEPYPSRNVQNLRENIVKLITRYGNHPAFYRKDGKPLFFIYDSYLIEPSEWEKLLSPGGSITIRNTAYDALMIGLWTSSPTVQRPFILNAHFDGFYTYFAATGFTYGSTPTNWVSMQKWAKENGKIFIPSVGPGYIDTRIRPWNGSVIRTRTDGQYYDAMYRKAIEAGVSAISITSFNEWHEGSQIEPAVPYTSSE...
4V27_3_k12
0
-4.8
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90655273
P9WIL5
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
MdLqDaNqQfTeIeLeIeTeGvGlTlGfSlFlGnKlCvFlVvRvKvVcLvDvTpThNnAhKqKaIyIeVyYeSeRaDdEpLvKsQvSvEvMsAcMvEvFvNvDdPpRrMyRdFyFdIhGhDaVlRlDdLlEvRsLlNlYvAvLcEaGrVhDqIeCyIeHyAdAdAfLdKqHpVqPqIvAcEqYvNvPvLvEvCrIlKsTrNlIqMvGsAlSvNsVnIlNvAsCcLvKvNnAqIhSaQeVyIeAyLeSaTeDlKcAlAaNvPhIdNtLsYnGnAvTsKsLvCnSsDqKvLvFqVlSvAsNqNqFdKdGdSpShQgThQaFg...
MLDNQTILITGGTGSFGKCFVRKVLDTTNAKKIIVYSRDELKQSEMAMEFNDPRMRFFIGDVRDLERLNYALEGVDICIHAAALKHVPIAEYNPLECIKTNIMGASNVINACLKNAISQVIALSTDKAANPINLYGATKLCSDKLFVSANNFKGSSQTQFSVVRYGNVVGSRGSVVPFFKKLVQNKASEIPITDIRMTRFWITLDEGVSFVLKSLKRMHGGEIFVPKIPSMKMTDLAKALAPNTPTKIIGIRPGEKLHEVMIPKDESHLALEFEDFFIIQPTISFQTPKDYTLTKLHEKGQKVAPDFEYSSHNNNQWLEP...
2GN6_3_k12
0
-4.1
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681
Q7K4Y6
[CH0][Branch1][Branch2][CH2][CH2][NH0][Branch1][C][H][H][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][Ring1][OH0][H][=CH1][Ring1][#C]
NCCc1ccc(O)c(O)c1
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4XP1_1_k12
2
-6.7
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12374
296348
[CH2][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][CH2][OH0][H]
OCCCCCCO
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GISICVATDCDGEKVNLRFLFDAAGPSVSRLLNYSTTAFNNYFRLKGISRAFAVNSAVVFNDVHCTWDRLERTTQLLHNSQVYLFQPDTLDIPAAIPEPYEGEPLLS
7A1I_1_k12
0
-2.9
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44269524
P02699
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][CH3][OH0][Ring1][P]
COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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MKKSELPDPFEKARESKGYGEMNDQDDPVTMLLRHKDVRKSAHNYKTFQSGAVPGRIVIPSEVDIRDTRQIPFEVDPPVHGVYRAIVEPWFKRPLQAEYQEKLTAQISEIVEETLLKGSVEVVTDFALRLQSRALTLLLNTPFSESETWISWGTHVFRALDGDKANILYHYIDEQIDRASENPGDDMYSVLLNSEFEGRKLTKEEVKGVMVLTFAGGRDTVINAVTNSIAYLAEHPEALERLRKEPEITGRAVEEMIRYFSPLTQMGRVVTEDTHVCEHAVKADSRISLCWASANRDAAVFENPNEIVLDRKVNPHVGFG...
6G5Q_1_k12
2
-5.6
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8190
O75469
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92332561
P23930
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7FGA_1_k12
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6UPR_1_k12
1
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1567
Q6P9V9
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
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3PDB_2_k12
0
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259994
P0A2K1
[C@@H1][Branch1][C][CH3][Branch1][Ring2][CH2][OH0][H][OH0][H]
C[C@@H](O)CO
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9D5W_1_k12
0
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124306840
P09211
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3GSS_2_k12
2
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679
P36639
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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5ANU_2_k12
0
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174
P45452
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4KCN_4_k12
0
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174
P97438
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
SdWaGaYcRdEpHvNrGrPqIvHcWvKcEvFpFqPvIcAsDqGpDqQfQaSdPdIaEeIaKeTpKvEqVaKaYaDdSqSvLaRwPfLkSdIwKaYaDdPlSfSqAfKwIkIwSaNaSqGlHqSwFiNkVgDfFgDnDvTpEdNaKrStVwLiRdGtGgPnLaTdGaSiYwRhLwRgQiVkHtLkHfWaGaSlAdDqDqHaGtSdEgHyIaVyDnGnVgShYgAgAmEkLmHkVtVkHtWfNhSvDvKpYdPpSdFlVvEvAlAqHqEaPqDqGtLmAeViLeGiVaFgLeQhIaGdEdPaNdSvQlLlQvKlIvTlDvTc...
SWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKGRKVRASFH
4QJP_1_k12
0
-2.2
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14257
P03951
[CH2][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCC
SdDlSvKvIlLlAcHvLlFpTvSdGdYdDdFqRvVdRaPaPaTdDpNvGlGfPaVwVeVkSaVkNaMkLeLwReTaIkSdKdIcDaVqVqNqMqEkYtSkAtQkLmTkLiRkEiSkWtIfDhKqRsLsSaYrGcVqKvGnDpGpQdPdDqFkVhIkLdTdVpGpHdQhIhWhMdPqDqTkFdFwPpNfEfKpQdAkYdKwHdTqIpDpKhPtNaVwLtIwRiIqHgNnDnGrTmViLmYiSiVtRiImSmLtVmLgShCfPdMaYdLqQqYaYpPlMwDdVkQgQkCgSkItDkLmAwSgYdApYdTaTnKrDhIyEaYy...
SDSKILAHLFTSGYDFRVRPPTDNGGPVVVSVNMLLRTISKIDVVNMEYSAQLTLRESWIDKRLSYGVKGDGQPDFVILTVGHQIWMPDTFFPNEKQAYKHTIDKPNVLIRIHNDGTVLYSVRISLVLSCPMYLQYYPMDVQQCSIDLASYAYTTKDIEYLWKEHSPLQLKVGLSSSLPSFQLTNTSTTYCTSVTNTGIYSCLRTTIQLKREFSFYLLQLYIPSCMLVIVSWVSFWFDRTAIPARVTLGVTTLLTMTAQSAGINSQLPPVSYIKAIDVWIGACMTFIFCALLEFALVNHIANAGTTEWNDISKRVDLISR...
3RI5_1_k12
0
-3.9
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
753
Q5NII7
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdGdAfTkRkIwQkIwAkLwKwYaDdEqKvNqKqQkFiAkIiLwIgIfQkLiSaNdLcScAnLqLvQvQdQfDpQwKwVkNkIkRwVkAaVkLpPpCnSdEpSdTdTgCgLiFdRiTfRdPtLdDrAdSdDrTiLgVgFdNgEdVmFdWmVdSrIhAhYcPvAvLlHlQqKiTkLmRkVmDfVtCwTtTaDdRpSpHrLdEiEdCtLrGwGiAdQiIhShLcAvEpVhCdRpSvGtEdRmSdTiRdWmYdNgLtLdSdGdAfTkRkIwQkIwAkLwKwYaDdEaKvNfKqQkFiAkIiLwIgIfQkLiSaNqLpScAvLq...
SGATRIQIALKYDEKNKQFAILIIQLSNLSALLQQQDQKVNIRVAVLPCSESTTCLFRTRPLDASDTLVFNEVFWVSIAYPALHQKTLRVDVCTTDRSHLEECLGGAQISLAEVCRSGERSTRWYNLLSGATRIQIALKYDEKNKQFAILIIQLSNLSALLQQQDQKVNIRVAVLPCSESTTCLFRTRPLDASDTLVFNEVFWVSIAYPALHQKTLRVDVCTTDRSHLEECLGGAQISLAEVCRSGERSTRWYNLLS
6FD0_1_k12
0
-3.1
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s177
P77258
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s655
Q12830
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1J3J_1_k12
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Q50LF0
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1MZ4_2_k12
0
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174
Q13131
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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4MNQ_1_k12
0
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753
Q9NPB1
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4YIK_2_k12
0
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s647
P0A1F6
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6DE5_1_k12
1
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174
Q6DN04
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6DPG_1_k12
0
-2.3
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60150362
Q6DN04
[NH0][Branch1][S][S@@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH2][CH2][CH2][CH2][C@H1][Ring1][#C][CH0][=Branch1][C][=OH0][OH0][CH2][CH2][CH3]
CCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
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4GIV_2_k12
2
-6.4
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s98
Q9Y5Y4
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][C][CH3][CH0][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)C(C)NC=C1COP(=O)(O)O
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TLETWPQVIINTYGTPPVELVSGKGATVTDDQGNVYIDLLAGIAVNALGHAHPAIIEAVTNQIGQLGHVSNLFASRPVVEVAEELIKRFSLDDATLAAQTRVFFCNSGAEANEAAFKIARLTGRSRILAAVHGFHGRTMGSLALTGQPDKREAFLPMPSGVEFYPYGDTDYLRKMVETNPTDVAAIFLEPIQGETGVVPAPEGFLKAVRELCDEYGILMITDEVQTGVGRTGDFFAHQHDGVVPDVVTMAKGLGGGLPIGACLATGRAAELMTPGKHGTTFGGNPVACAAAKAVLSVVDDAFCAEVARKGELFKELLAKV...
8HT4_1_k12
1
-8.1
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s651
Q93F76
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CCS(=O)(=O)CC1=CC(c2cc(C)c3c(=O)[nH]ccn23)=C(Oc2ccc(F)cc2F)NC1
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6KEG_1_k12
1
-9
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753
O02705
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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EVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKER
6LR9_2_k12
0
-3.9
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439709
P78055
[C@@][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][P]
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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SSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLKMKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERN...
2HRQ_5_k12
0
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81462
P29474
[C@][Branch1][N][NH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
OCCN(CCO)C(CO)(CO)CO
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KFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPAPEQLLSQARDFINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAITVFPQRCPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEPPELFLLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKA...
6POX_1_k12
0
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8117
P0DTC1
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
7AY7_4_k12
0
-3.2
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449063
B2A2M9
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CC(C)(COP(=O)(O)O)[C@H](O)C(=O)NCCC(=O)NCCS
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SLKSTFDDIKKIISKQLSVEEDKIQMNSNFTKDLGADSLDLVELIMALEEKFNVTISDQDALKINTVQDAIDYIEKNN
3GZM_2_k12
0
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s159
P01857
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COC(C)(C)C(=O)CC=C(C)CCC=C(C)CCC=C(C)CCCCC(C)=CCC[C@H](C)CCC=C(C)CCC=C(C)C
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7Q7G_5_k12
1
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174
P91850
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4FVA_1_k12
0
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8172
P38585
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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EVQLVESGGGLVKPGESLRLSCAASGFTFSDYYMTWIRQAPGKGLEWVSYIRSSGHTIYYADSVKGRFTISRDNAKNSLYLQMNSLRVEDTAVYYCARGGVLRFLEWPLNAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCLFLVADIQLTQSPSSLSASVGDRVTITCRASQGISNYLAWYQQKPGKVPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYY...
7BEP_8_k12
0
-4.2
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444205
Q9P4V2
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][C]
CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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DLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRA...
7B89_3_k12
0
-4.2
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s694
P00918
[C@][Branch1][Branch1][CH2][CH2][OH0][H][Branch1][Branch1][CH2][CH2][OH0][H][N@+1][Branch1][C][H][Branch1][C][H][C@H1][Branch1][Ring1][OH0][H][CH2][Ring1][S]
OCCC1(CCO)C[C@@H](O)[NH2+]1
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4AH9_3_k12
0
-3.5
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8117
P04439
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6O9B_1_k12
0
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31289
Q15485
[CH2][Branch1][Branch1][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH1][=OH0]
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1S5H_2_k12
0
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8117
O15151
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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7C3Q_3_k12
0
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s957
P15121
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SRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPYAEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVAALLSCTSHKDYPFHEEF
2IPW_1_k12
1
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767
P49761
[CH0][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H]
O=C(O)O
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3NRJ_1_k12
0
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s45
P03042
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CC1=C(O)C(C)NC=C1COP(=O)(O)O
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2BYL_1_k12
2
-5.9
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8117
P00734
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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4DT7_2_k12
0
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753
P03472
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2EB9_1_k12
0
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8200
P54525
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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4PA4_2_k12
0
-3
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s768
A1T557
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MKKEFSAGGVLFKDGEVLLIKTPSNVWSFPKGNIEPGEKPEETAVREVWEETGVKGEILDYIGEIHYWYTLKGERIFKTVKYYLMKYKEGEPRPSWEVKDAKFFPIKEAKKLLKYKGDKEIFEKALKLKEKFKLMKKEFSAGGVLFKDGEVLLIKTPSNVWSFPKGNIEPGEKPEETAVREVWEETGVKGEILDYIGEIHYWYTLKGERIFKTVKYYLMKYKEGEPRPSWEVKDAKFFPIKEAKKLLKYKGDKEIFEKALKLKEKFKL
3I7V_3_k12
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15906
P00720
[SH0][Branch1][Branch1][CH2][CH2][OH0][H][SH0][CH2][CH2][OH0][H]
OCCSSCCO
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1G0G_1_k12
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753
849477
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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5DBN_2_k12
0
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s689
Q035X6
[OH0][Branch1][P][CH0][=CH1][CH0][Branch1][C][BrH0][=CH1][NH0][Branch1][C][H][CH1][Ring1][Branch2][CH1][=OH0][CH2][CH0][=CH1][CH0][=CH0][Branch1][Branch1][CH1][=CH1][Ring1][=Branch1][CH1][=CH1][CH1][=CH1][Ring1][Branch2]
O=CC1NC=C(Br)C=C1OCc1ccc2ccccc2c1
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SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDCVSFCYMHHMELPGVHAGTDLEGNFGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
8DIF_1_k12
2
-6
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753
P24397
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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PEQFRIRRDKRARLLAQGRDPYPVAVPRTHTLAEVRAAHPDLPIDTATEDIVGVAGRVIFARNSGKLCFATLQDGDGTQLQVMISLDKVGQAALDAWKADVDLGDIVYVHGAVISSRELSVLADCWRIAAKSLRPLPVKEMSEESRVRQRYVDLIVRPEARAVARLRIAVVRAIRTALQRRGFLEVETPVLQTLAGGAAARPFATHSNALDIDLYLRIAPELFLKRCIVGGFDKVFELNRVFRNEGDSTHSPEFSMLETYQTYGTYDDSAVVTRELIQEVADEAIGTRQLPLPDGSVYDIDGEWATIQMYPSLSVALGEE...
7QH8_1_k12
0
-3.5
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176
P27150
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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4QGB_1_k12
0
-2.3
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176
D3JTC1
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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4EW9_1_k12
0
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753
P05311
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5XIX_1_k12
0
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78225628
Q56691
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90655273
Q6P9V9
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Q4JA33
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6SAZ_3_k12
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176
B9VUU3
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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SVKLAGNSSLCPVSGWAIYSKDNSVRIGSKGDVFVIREPFISCSPLECRTFFLTQGALLNDKHSNGTIKDRSPYRTLMSCPIGEVPSPYNSRFESVAWSASACHDGINWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESECACVNGSCFTVMTDGPSNGQASYKIFRIEKGKIVKSVEMNAPNYHYEECSCYPDSSEITCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGIFGDNPRPNDKTGSCGPVSSNGANGVKGFSFKYGNGVWIGRTKSISSRNGFEMIWDPNGWTGTDNNFSIKQDIVGINEWSG...
3TI6_1_k12
0
-2.2
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753
Q6EV77
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GPVPFSHCLPTEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDL...
7OPS_2_k12
0
-4.4
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444205
P06276
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][C]
CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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DIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVN...
6ESY_1_k12
0
-4.2
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s440
P26664
[CH2][C@@H1][Branch2][Ring1][=N][OH0][CH0][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][CH0][=CH0][Branch1][O][CH1][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH1][Ring1][Branch2][NH0][Ring1][=C][H][CH2][NH0][C@@H1][Ring2][Ring1][Branch1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][C@@][Branch2][Ring1][#Branch2][CH1][Branch2]...
COc1ccc2c(c1)NC(O[C@@H]1C[C@H]3C(=O)N[C@]4(C(O)NS(=O)(=O)C5(C)CC5)C[C@H]4C=CCCCCC[C@H](NC(=O)OC4(C)CCCC4)C(=O)N3C1)=C(C)N2
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HMASMKKKGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQVEGEVQIVSTATQTFLATSINGVLWTVYHGAGTRTIASPKGPVTQMYTNVDKDLVGWQAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVSTRGVAKAVDFIPVESLETTMR
6DIU_2_k12
1
-11.8
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s170
P00396
[C@H1][Branch2][Ring1][Branch2][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][Branch2][Ring1][Branch2][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH1][=CH1][CH2][CH1][=CH1][CH2][CH2][CH2][CH2][CH1][=CH1][CH2][CH2][CH2][CH3][OH0][CH0][=Branch1][C]...
CCCCC=CCCCCC=CCC=CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
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MFINRWLFSTNHKDIGTLYLLFGAWAGMVGTALSLLIRAELGQPGTLLGDDQIYNVVVTAHAFVMIFFMVMPIMIGGFGNWLVPLMIGAPDMAFPRMNNMSFWLLPPSFLLLLASSMVEAGAGTGWTVYPPLAGNLAHAGASVDLTIFSLHLAGVSSILGAINFITTIINMKPPAMSQYQTPLFVWSVMITAVLLLLSLPVLAAGITMLLTDRNLNTTFFDPAGGGDPILYQHLFWFFGHPEVYILILPGFGMISHIVTYYSGKKEPFGYMGMVWAMMSIGFLGFIVWAHHMFTVGMDVDTRAYFTSATMIIAIPTGVKV...
3ABL_4_k12
2
-6.4
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90655273
P30376
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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8U9G_1_k12
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s817
P9WIL5
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CC(C)(C)[C@@H](N)C(=O)NS(O)(O)OC[C@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1O
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3COY_2_k12
1
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90655273
P12497
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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8IC1_6_k12
0
-3.9
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3TQB_1_k12
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164513210
P00742
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5SP7_1_k12
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