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
5288834
Q9DC50
[CH3][C@@][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH2][C@H1][Branch1][C][CH3][OH0][H]
C[C@H](O)CC(C)(C)O
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ERTFQYQDSLPSLPVPALEESLKKYLESVKPFANEDEYKKTEEIVQKFQEGAGKRLHQKLLERARGKRNWLEEWWLNVAYLDVRIPSQLNVNFVGPCPHFEHYWPAREGTQLERGSMMLWHNLNYWQLLRREKLPVHKSGNTPLDMNQFRMLFSTCKVPGITRDSIMNYFKTESEGHCPTHIAVLCRGRAFVFDVLHEGCLITPPELLRQLTYIHKKCSNEPVGPSIAALTSEERTRWAKAREYLISLDPENLTLLEKIQTSLFVYSIEDSSPHATPEEYSQVFEMLLGGDPSVRWGDKSYNLISFANGIFGCCCDHAPY...
1XL8_1_k12
0
-4.2
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753
A0A516RTC5
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4JVO_2_k12
0
-3.2
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s2
P00338
[NH0][Branch1][=C][CH2][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H][CH2][CH2][NH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][Ring2][Ring1][Ring1]
OCCN1CCN(CCS(O)(O)O)CC1
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6BAZ_1_k12
0
-3.8
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174
P0AD46
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7X6F_3_k12
0
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82313
P41365
[C@@H1][Branch1][Ring1][OH0][H][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][Ring2]
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O
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3ICV_1_k12
0
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753
Q60182
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5GRG_1_k12
0
-3.2
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3G7J_1_k12
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s432
P44742
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4OHT_1_k12
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s175
Q99289
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1146
P52732
[CH3][NH0][Branch1][C][CH3][CH3]
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3KEN_1_k12
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444205
P26514
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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CNWTGVKCNRRGEVSEIQLKEKQLQGSLLKSLTSLTLSSLQLTGVIPKEIGDFTELELLDLSDNSLSGDIPVEIFRLKKLKTLSLNTNNLEGHIPMEIGNLSGLVELMLFDNKLSGEIPRSIGELKNLQVLRAGGNKNLRGELPWEIGNCENLVMLGLAETSLSGKLPASIGNLKRVQTIAIYTSLLSGPIPDEIGYCTELQNLYLYQNSISGSIPTTIGGLKKLQSLLLWQNNLVGKIPTELGNCPELWLIDFSENLLTGTIPRSFGKLENLQELQLSVNQISGTIPEELTNCTKLTHLEIDNNLITGEIPSLMSNLRS...
5HZ1_1_k12
0
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s76
P16083
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3NHS_2_k12
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s669
Q29092
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CC(=O)N[C@H]1CO[C@H](CO)[C@H](OS(O)(O)O)[C@@H]1O
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3H7D_3_k12
0
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176
P29476
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3N65_2_k12
0
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s589
P58154
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C1=CNCC(C2NCCCC2=Cc2cc[nH]c2)=C1
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4ZK1_1_k12
1
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s163
Q9L4P2
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MKTQVAIIGAGPSGLLLGQLLHKAGIDNVILERQTPDYVLGRIRAGVLEQGMVDLLREAGVDRRMARDGLVHEGVEIAFAGQRRRIDLKRLSGGKTVTVYGQTEVTRDLMEAREACGATTVYQAAEVRLHDLQGERPYVTFERDGERLRLDCDYIAGCDGFHGISRQSIPAERLKVFERVYPFGWLGLLADTPPVSHELIYANHPRGFALCSQRSATRSRYYVQVPLSEKVEDWSDERFWTELKARLPSEVAEKLVTGPSLEKSIAPLRSFVVEPMQHGRLFLAGDAAHIVPPTGAKGLNLAASDVSTLYRLLLKAYREG...
1IUS_2_k12
1
-13.4
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176
O07566
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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STQVRGYDFNRGVNYRALLEAFGTTGFQATNFGRAVQQVNAMIEKKLEPLSQDDQHADLTQSRRPLTSCTIFLGYTSNLISSGIRETIRYLVQHNMVDVLVTTAGGVEEDLIKCLAPTYLGEFSLRGKELRENGINRIGNLLVPSENYCKFEDWLMPILDQMVMEQNTEGVKWTPSKMIARLGKEINNPESVYYWAQKNHIPVFSPALTDGSLGDMIFFHSYKNPGLVLDIVEDLRLINTQAIFAKCTGMIILGGGVVKHHIANANLMRNGADYAVYINTAQEFDGSDSGARPDEAVSWGKIRVDAQPVKVYADASLVFP...
7A6S_2_k12
0
-2.1
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679
P39051
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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4AKN_2_k12
0
-2.6
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8172
Q56839
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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LLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVLEDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPKAPGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQEDGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQLRNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELVLVLLEGANFDPEHFPNPGSI...
6TE7_1_k12
0
-2.3
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174
P00772
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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KHNMKAFLDELKAENIKKFLYNFTQIPHLAGTEQNFQLAKQIQSQWKEFGLDSVELAHYDVLLSYPNKTHPNYISIINEDGNEIFNTSLFEPPPPGYENVSDIVPPFSAFSPQGMPEGDLVYVNYARTEDFFKLERDMKINCSGKIVIARYGKVFRGNKVKNAQLAGAKGVILYSDPADYFAPGVKSYPDGWNLPGGGVQRGNILNLNGAGDPLTPGYPANEYAYRRGIAEAVGLPSIPVHPIGYYDAQKLLEKMGGSAPPDSSWRGSLKVPYNVGPGFTGNFSTQKVKMHIHSTNEVTRIYNVIGTLRGAVEPDRYVIL...
6SKH_3_k12
0
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s667
Q8JUX6
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NC1NCNC2=C1NCN2CC(=O)NCCCNC(=O)CCCC[C@@H]1CCSS1
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8CRL_2_k12
1
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s758
Q8N6T7
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5MGN_2_k12
1
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H9N289
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OCC(O)CO
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7SZF_1_k12
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8117
Q9I685
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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7YD3_1_k12
0
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446996
P0DTC1
[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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4GWJ_2_k12
0
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8200
Q2UMX6
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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CAGFKTSLKLPNTKVWFTEHVPAGKNITFPDNHPTCTPKSTITDVEICRVAMFVTTGPKSNLTLEAWLPSNWTGRFLSTGNGGMAGCIQYDDVAYGAGFGFATVGANNGHNGTSAVSMYKNSGVVEDYVYRSVHTGTVLGKELTKKFYGKKHTKSYYLGCSTGGRQGWKEAQSFPDDFDGIVAGAPAMRFNGLQSRSGSFWGITGPPGAPTHLSPEEWAMVQKNVLVQCDEPLDGVADGILEDPNLCQYRPEALVCSKGQTKNCLTGPQIETVRKVFGPLYGNNGTYIYPRIPPGADQGFGFAIGEQPFPYSTEWFQYVI...
8BHH_5_k12
0
-4.4
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444205
P81446
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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3D7W_1_k12
0
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s58
P9WNV1
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NC1=C2NCN([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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QTAPEVLRQWQALAEEVREHQFRYYVRDAPIISDAEFDELLRRLEALEEQHPELRTPDSPTQLVGGAGFATDFEPVDHLERMLSLDNAFTADELAAWAGRIHAEVGDAAHYLCELKIDGVALSLVYREGRLTRASTRGDGRTGEDVTLNARTIADVPERLTPGDDYPVPEVLEVRGEVFFRLDDFQALNASLVEEGKAPFANPRNSAAGSLRQKDPAVTARRRLRMICHGLGHVEGFRPATLHQAYLALRAWGLPVSEHTTLATDLAGVRERIDYWGEHRHEVDHEIDGVVVKVDEVALQRRLGSTSRAPRWAIAYKYPP...
6KJM_2_k12
1
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92142
P50033
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8OU3_1_k12
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135
P49187
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3PCC_1_k12
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s714
Q10449
[CH1][NH0][Branch1][C][H][CH1][=CH1][NH0][Ring1][=Branch1][C@H1][Branch1][Ring2][CH2][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring1][P][OH0][H]
OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)C2NC=CN21
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6RQK_1_k12
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s590
Q9NRG4
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SNFLIDFLMGGVSAAVAKTAASPIERVKLLIQNQDEMLKQGTLDRKYAGILDCFKRTATQEGVISFWRGNTANVIRYFPTQALNFAFKDKIKAMFGFKKEEGYAKWFAGNLASGGAAGALSLLFVYSLDYARTRLAADSARQFNGLIDVYKKTLKSDGVAGLYRGFLPSVVGIVVYRGLYFGMYDSLKLASFLLGWVVTTGASTCSYPLDTVRRRMMMTSGQAVKYDGAFDCLRKIVAAEGVGSLFKGCGANILRGVAGAGVISMYDQLQMILFGKKFKLIDFLMGGVSAAVAKTAASPIERVKLLIQNQDEMLKQGTLD...
4C9H_3_k12
2
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753
Q96PH1
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5D9S_1_k12
0
-3.3
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8117
Q33862
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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4KC7_1_k12
0
-2.4
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8117
P0A988
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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MKFTVEREHLLKPLQQVSGPLGGRPTLPILGNLLLQVADGTLSLTGTDLEMEMVARVALVQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRFSLSTLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGMLFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMRMLDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKHLEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEILDVTYSGAEMEIGFN...
4PNW_1_k12
0
-2.7
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131705015
P00396
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7TII_8_k12
2
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7848
Q9HVZ9
[CH2][Branch1][Ring1][CH2][CH3][SH0][H]
CCCS
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6KSF_2_k12
0
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s706
P47205
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CC(=O)Nc1ccc(C2=CSC(N)N2)cc1
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5S4O_1_k12
1
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107883
P22756
[NH0][Branch1][C][H][C@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][C@@H1][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][CH3][CH3][CH2][Ring2][Ring1][C]
CC(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
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RTLIVTTILEEPYVMYRKSDKPLYGNDRFEGYCLDLLKELSNILGFLYDVKLVPDGKYGAQNDKGEWNGMVKELIDHRADLAVAPLTITYVREKVIDFSKPFMTLGISILYRKGTPIDSADDLAKQTKIEYGAVRDGSTMTFFKKSKISTYEKMWAFMSSRQQSALVKNSDEGIQRVLTTDYALLMESTSIEYVTQRNCNLTQIGGLIDSKGYGVGTPIGSPYRDKITIAILQLQEEGKLHMMKEKWWRGNGCP
3C32_1_k12
1
-7.7
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16028
A8Z0K3
[N@+1][Branch1][Branch1][CH2][CH2][CH2][CH3][Branch1][Branch1][CH2][CH2][CH2][CH3][Branch1][Branch1][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
CCCC[N+](CCCC)(CCCC)CCCC
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3IFX_2_k12
2
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s672
P02945
[NH0][Branch1][S][CH2][CH1][NH0][Branch1][C][H][NH0][Branch1][C][H][NH1][NH0][Ring1][#Branch1][H][CH2][NH0][Branch1][C][H][CH0][=CH0][Branch1][Branch1][CH0][Ring1][S][=OH0][CH0][=CH0][Branch1][Ring2][SH0][Ring1][#Branch1][CH2][CH2][CH2][CH2][Ring1][#Branch1]
O=C1c2c(sc3c2CCCC3)NCN1CC1NNNN1
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SAVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAAAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDPRDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTSWTAGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLASAARIIAEGL
3G34_1_k12
2
-5.1
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243
P36217
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH1][=CH1][CH1][=CH1][Ring1][#Branch2]
O=C(O)c1ccccc1
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1REE_1_k12
0
-3.4
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753
P21730
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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9C6E_2_k12
0
-4.2
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P0DOX7
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6FT8_1_k12
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s73
Q09472
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5JSF_2_k12
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445395
Q38J50
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6J3C_2_k12
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s589
O34348
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5ZM3_1_k12
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174
O14929
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7O9Z_1_k12
0
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8761
Q5IS75
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7947
P22862
[CH0][Branch1][C][CH3][=CH1][CH0][Branch1][C][CH3][=CH1][CH0][Branch1][C][CH3][=CH1][Ring1][=Branch2]
Cc1cc(C)cc(C)c1
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7ZRT_1_k12
2
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4369116
O34453
[NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][=CH0][Ring1][N][NH0][Branch1][C][H][CH2][C@H1][Branch1][N][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][H][NH0][Ring1][=C][H]
C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(N)N2
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5G6G_1_k12
2
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174
P30376
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3WOW_1_k12
0
-2.9
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s751
P0DOX7
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4EI4_1_k12
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8172
P60175
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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5AO9_3_k12
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121232405
O08967
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5G4R_1_k12
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174
Q9NP87
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5TWP_1_k12
0
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176
Q9CKB0
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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6JJZ_1_k12
0
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174
Q8PWY1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4CS4_1_k12
0
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s710
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1NV7_1_k12
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445395
Q91909
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s688
P22985
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NC1NC2=C(N[C@@H](CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN2)C(O)N1
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6J1J_3_k12
1
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174
P29317
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3U2T_1_k12
0
-2.5
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444205
Q9UGL1
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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5JVZ_1_k12
2
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s403
Q13627
[CH1][Branch1][=Branch1][NH0][Branch1][C][CH3][H][NH0][Branch1][C][H][CH2][CH1][=CH0][Branch2][Ring1][Ring2][CH0][=CH1][NH0][Branch1][C][H][NH0][NH0][Branch1][C][H][CH1][=CH1][CH1][=CH0][Ring1][O][Ring1][#Branch1][NH0][Ring2][Ring1][Branch1][H]
CNC1NCC=C(C2=CNN3NC=CC=C23)N1
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6S1B_1_k12
1
-8
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90255
P00415
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH3][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
COCCOCCOCCOCCOCCO
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2ZR4_1_k12
0
-3.8
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174
Q16539
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6INM_1_k12
0
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176
P04397
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3KNS_2_k12
0
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753
P14340
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MNRVSTVQQLTKRFSLGMLQGRGPLKLFMALVAFLRFLTIPPTAGILKRWGTIKKSKAINVLRGFRKEIGRMLNILNRRRR
6VG5_2_k12
0
-2.2
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79718
Q91ZW2
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OCCOCCOCCOCCOCCOCCOCCO
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6DYT_2_k12
0
-3.2
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5288834
P06276
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s360
Q54089
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3KI5_1_k12
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5232593
P33981
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
C1=CNCN1
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LAKNIVYVAQIKGQITSYTYDQFDRYITIAEQDNAEAIIIELDTPGGRADAMMNIVQRIQQSKIPVIIYVYPPGASAASAGTYIALGSHLIAMAPGTSIGACRPILGYSQNGSIIEAPPAITNYFIAYIKSLAQESGRNATIAEEFITKDLSLTPEEALKYGVIEVVARDINELLKKSNGMKTKIPVNGRYVTLNFTNVEVRYLAPSFKDKLISYITDL
3WG5_1_k12
0
-2.5
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90255
P47942
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH3][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
COCCOCCOCCOCCOCCO
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DRLLIKGGKIVNDDQSFYADIYMEDGLIKQIGENLIVPGGVKTIEAHSRMVIPGGIDVHTRFQMPDQGMTSADDFFQGTKAALAGGTTMIIDHVVPEPGTSLLAAFDQWREWADSKSCCDYSLHVDITEWHKGIQEEMEALVKDHGVNSFLVYMAFKDRFQLTDSQIYEVLSVIRDIGAIAQVHAENGDIIAEEQQRILDLGITGPEGHVLSRPEEVEAEAVNRSITIANQTNCPLYVTKVMSKSAAEVIAQARKKGTVVYGEPITASLGTDGSHYWSKNWAKAAAFVTSPPLSPDPTTPDFLNSLLSCGDLQVTGSAHC...
5UQC_1_k12
0
-4
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49852662
P28720
[C@@H1][Branch2][Ring1][Branch1][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][Branch2][Ring1][Ring1][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2...
CCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
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TTAKEEMERFWNKNLGSNRPLSPHITIYRWSLPMAMSICHRGTGIALSAGVSLFGLSALLLPGNFESHLELVKSLCLGPTLIYTAKFGIVFPLMYHTWNGIRHLIWDLGKGLTIPQLTQSGVVVLILTVLSSVGLAAMSSKAASLHWTGERVVSVLLLGLLPAAYLNPCSAMDYSLAAALTLHGHWGIGQVVTDYVRGDALQKAAKAGLLALSAFTFAGLCYFNYHDVGICKAVAMLWKL
3AE4_4_k12
2
-6.1
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12391
P02945
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCC
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ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
6GA4_10_k12
0
-3.4
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176
E9QYP0
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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RLRSTPQDELHDLLCVGFGPASLAIAIALHDALDPRLNKSASNIHAQPKICFLERQKQFAWHSGMLVPGSKMQISFIKDLATLRDPRSSFTFLNYLHQKGRLIHFTNLSTFLPARLEFEDYMRWCAQQFSDVVAYGEEVVEVIPGKSDPSSSVVDFFTVRSRNVETGEISARRTRKVVIAIGGTAKMPSGLPQDPRIIHSSKYCTTLPALLKDKSKPYNIAVLGSGQSAAEIFHDLQKRYPNSRTTLIMRDSAMRPSDDSPFVNEIFNPERVDKFYSQSAAERQRSLLADKATNYSVVRLELIEEIYNDMYLQRVKNPDE...
6X0H_2_k12
0
-3
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753
Q15059
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2X2J_1_k12
0
-3
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259994
P68453
[C@@H1][Branch1][C][CH3][Branch1][Ring2][CH2][OH0][H][OH0][H]
C[C@@H](O)CO
MdAdEfTaKaEaFfKdTfLlYvNvLqFlIvDvSqYlLvQvKvLlAvQpHqSqIpPdTdVvTdCfAqIaHaIaGpEaVeIdGeQaFdKdNqCeAaLeRaIeTeNeKsCaMhSpNdSvRlLvSlFqTlLsMsVlEvSsFlIvEvVsIlSvLvLdPdEpKvDvRsRvAvIlAcEvEqIqGfIhDdLvDvDdVhPsSsAdVqStKpLnElKvNvClNvAvYvAcEvVvNvNvIrIgDyIyQdKhLaDyIqGyEyCfShAdPdPpGrQyHgMyLyLhQyIqVyNhThGrSdArEsAsNsCsGsLvQrTsIvVnKnSrLrNvKpIg...
MAETKEFKTLYNLFIDSYLQKLAQHSIPTVTCAIHIGEVIGQFKNCALRITNKCMSNSRLSFTLMVESFIEVISLLPEKDRRAIAEEIGIDLDDVPSAVSKLEKNCNAYAEVNNIIDIQKLDIGECSAPPGQHMLLQIVNTGSAEANCGLQTIVKSLNKIYVPPII
6CJ6_6_k12
0
-2.2
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7058118
P60175
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][CH2][CH2][CH3]
CCCC[C@@H](O)CO
AdEaElFdPdVaPdNpGqFkEdSwAdYwRdEqVdDpGnVwKiLkHiYkViKkGgGaQdGdPaLeVeMeLeVeHeGaFfGlQdTfWlYvElWcHrQvLlMvPvEvLcArKpRhFhTtVyImAyPiDgLqPdGlLfGrQpSiEhPhPqKpTpGaYqSfGqEvQrVsAqVsYrLvHvKvLvAvRcQvFvSvPvDpRqPaFhDaLyVeAyHaDyIcGsIlWrNnTnYpPvMvVcVlKvNpQvArDnIhAaReLyVeYyMeEfAyPdIhPqDaApRvIvYvRpFfPdAcFaTdApQvGgEgSgLlVvWvHvFlScFqFlAqAdDp...
AEEFPVPNGFESAYREVDGVKLHYVKGGQGPLVMLVHGFGQTWYEWHQLMPELAKRFTVIAPDLPGLGQSEPPKTGYSGEQVAVYLHKLARQFSPDRPFDLVAHDIGIWNTYPMVVKNQADIARLVYMEAPIPDARIYRFPAFTAQGESLVWHFSFFAADDRLAETLIAGKERFFLEHFIKSHASNTEVFSERLLDLYARSYAKPHSLNASFEYYRALNESVRQNAELAKTRLQMPTMTLAGGGHGGMGTFQLEQMKAYAEDVEGHVLPGCGHWLPEECAAPMNRLVIDFLSR
4EUS_1_k12
0
-4.6
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8172
P42330
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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MKGFAMLGINKLGWIEKERPVAGSYDAIVRPLAVSPCTSDIHTVFEGALGDRKNMILGHEAVGEVVEVGSEVKDFKPGDRVIVPCTTPDWRSLEVQAGFQQHSNGMLAGWKFSNFKDGVFGEYFHVNDADMNLAILPKDMPLENAVMITDMMTTGFHGAELADIELGATVAVLGIGPVGLMAVAGAKLRGAGRIIAVGSRPVCVDAAKYYGATDIVNYKDGPIESQIMNLTEGKGVDAAIIAGGNADIMATAVKIVKPGGTIANVNYFGEGEVLPVPRLEWGCGMAHKTIKGGLCPGGRLRAEMLRDMVVYNRVDLSKLV...
3FPL_2_k12
0
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64960
P24627
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194024
P9WPA5
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2VAR_1_k12
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444205
P29016
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5280460
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COc1cc2ccc(=O)oc2cc1O
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8DQP_4_k12
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