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
118626453
Q27082
[CH0][Branch2][Ring1][=C][CH0][Branch2][Ring1][=Branch2][NH0][Branch1][C][H][CH0][=CH0][Branch1][Ring2][OH0][CH2][CH3][CH1][=CH1][CH0][Branch1][=Branch1][CH0][Branch1][C][CH3][=OH0][=CH1][Ring1][N][=OH0][=CH1][CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][CH3][=CH0][Branch1][#C][OH0][CH2][CH2][NH0][CH2][CH2][NH0...
CCOc1ccc(C(C)=O)cc1NC(=O)c1ccc(OCCN2CCNCC2)c(C(=O)OC)c1
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5ENG_1_k12
1
-7.8
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s45
P00509
[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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MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVKKAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSNDALRAIWEQELTDMRQRIQR...
1ASA_2_k12
1
-7.1
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s585
P21695
[CH2][C@H1][Branch1][N][OH0][S@][Branch1][C][OH1][Branch1][Ring1][OH0][H][OH0][H][C@@H1][Branch1][N][OH0][S@][Branch1][C][OH1][Branch1][Ring1][OH0][H][OH0][H][C@H1][Branch1][N][OH0][S@][Branch1][C][OH1][Branch1][Ring1][OH0][H][OH0][H][C@@H1][Branch1][=N][CH2][OH0][S@@][Branch1][C][OH1][Branch1][Ring1][OH0][H][OH0][H][O...
OS(O)(O)OC[C@H]1OC[C@H](OS(O)(O)O)[C@@H](OS(O)(O)O)[C@@H]1OS(O)(O)O
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KGNNCLDAAKACNLDDTCKKYRSAYITPCTTSMSNEVCNRRKCHKALRQFFDKVPAKHSYGMLFCSCRDIACTERRRQTIVPVCSYEERERPNCLSLQDSCKTNYICRSRLADFFTNCQPESRSVSNCLKENYADCLLAYSGLIGTVMTPNYVDSSSLSVAPWCDCSNSGNDLEDCLKFLNFFKDNTCLKNAIQAFGNGS
2V5E_2_k12
2
-5.2
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60823
P04035
[NH0][Branch2][Ring1][Branch1][CH2][CH2][C@H1][Branch1][=C][CH2][C@H1][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][OH0][H][OH0][H][CH0][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][FH0][CH1][=CH1][Ring1][#Branch1][=CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][Branch1][P][CH...
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
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LSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLM...
1HWK_1_k12
1
-9.4
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s214
Q13526
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NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCC1=C[C@H](COP(=O)(O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
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3TDB_2_k12
2
-5.5
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679
P11838
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
5SAS_2_k12
0
-2.1
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753
P29274
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6VRR_1_k12
0
-2.8
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8117
Q498M4
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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GSKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC
6PG7_2_k12
0
-3.5
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679
Q95M18
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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3MXF_3_k12
0
-1.7
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174
P11609
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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KGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGAGISTASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLERVGLLRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTVVGTMGLKATGRLCTVACRGELRDTILDWEDSLPDRDLALADEASRNADLSITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHGYVDEVMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPK
5MFZ_3_k12
0
-2.5
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444205
Q64610
[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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GSCKGRCFELQEVGPPDCRCDNLCKSYSSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCSEDCLSRGDCCTNYQVVCKGESHWVDDDCEEIKVPECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHAPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDASFHLRGREKFNHRWWGGQPLWITATKQGVRAGTFFWSVSIPHERRILTILQWLSLPDNERPSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKTVGQLMDGLKQLRLHRCVNVIFVGDHGMEDVTCDRTEFLSNY...
5LQQ_1_k12
0
-4.7
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753
O15540
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7E25_1_k12
0
-3.4
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3777159
P11838
[C@@][Branch1][=Branch2][N@@+1][Branch1][C][H][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
[NH3+]C(CO)(CO)CO
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5QE2_1_k12
0
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8172
Q09HD0
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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5EOO_3_k12
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8076
Q0ZQK6
[CH2][Branch1][Ring2][OH0][CH2][CH3][CH2][OH0][H]
CCOCCO
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DLADRFAELERRYDARLGVYVPATGTTAAIEYRADERFAFCATFKAPLVAAVLHQNPLTHLDKLITYTSDDIRSISPVAQQHVQTGMTIGQLCDAAIRYSDGTAANLLLADLGGPGGGTAAFTGYLRSLGDTVSRLDAEEPELNRDPPGDERDTTTPHAIALVLQQLVLGNALPPDKRALLTDWMARNTTGAKRIRAGFPADWKVIDKTGTGDYGRANDIAVVWSPTGVPYVVAVMSDRAGGGYDAEPREALLAEAATCVAGVLALEHHHH
6H28_2_k12
0
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174
Q8L633
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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KLLQILNVRVVGSGERVVVLSHGFGTDQSAWSRVLPYLTRDHRVVLYDLVCAGSVNPDHFDFRRYDNLDAYVDDLLAILDALRIPRCAFVGHSVSAMIGILASIRRPDLFAKLVLIGASPRFLNDSDYHGGFELEEIQQVFDAMGANYSAWATGYAPLAVGADVPAAVQEFSRTLFNMRPDISLHVCQTVFKTDLRGVLGMVRAPCVVVQTTRDVSVPASVAAYLKAHLGGRTTVEFLQTEGHLPHLSAPSLLAQVLRRALARY
3W05_1_k12
0
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s581
P34174
[NH0][Branch1][C][H][CH0][Branch1][#Branch1][CH2][CH0][=Branch1][C][=CH2][CH3][=CH0][Branch1][Ring1][OH0][CH3][NH0][Branch1][C][H][CH1][=CH1][Ring1][=C]
C=C(C)CC1=C(OC)NC=CN1
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SQEVMKNLSLNFGKALDECKKEMTLTDAINEDFYNFWKEGYEIKNRETGCAIMCLSTKLNMLDPEGNLHHGNAMEFAKKHGADETMAQQLIDIVHGCEKSTPANDDKCIWTLGVATCFKAEIHKLNWAPSMD
2P70_1_k12
2
-5.5
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s841
Q9X721
[NH0][Branch1][C][H][CH0][Branch1][O][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H][=CH0][Branch1][O][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H][NH0][Branch1][C][H][CH0][=CH1][CH0][Branch1][C][ClH0][=CH0][Branch1][C][ClH0][CH1][=CH0][Ring2][Ring1][#Branch2][Ring1][Branch2]
O=P(O)(O)C1=C(P(=O)(O)O)Nc2cc(Cl)c(Cl)cc2N1
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7ZBV_1_k12
2
-6.6
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446996
Q83884
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2ZL6_1_k12
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92824
P0A988
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5L8X_1_k12
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s882
Q8DIF8
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4GAB_2_k12
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8172
P0DTC1
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
5RDC_4_k12
0
-4.1
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8200
P06280
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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2BJ8_2_k12
0
-3.1
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867
P23458
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CC(=O)O
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6A2F_2_k12
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1567
P42330
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
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1TSD_2_k12
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90655273
P0DTD1
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8OSX_4_k12
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146026048
Q96LA8
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439352
Q9IGQ6
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1R43_2_k12
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5288834
P03377
[CH3][C@][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH2][C@H1][Branch1][C][CH3][OH0][H]
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8SBO_1_k12
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176
O06972
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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6H6T_1_k12
0
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174
P02945
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3NOO_2_k12
0
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8200
Q13627
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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6MYP_2_k12
0
-2.6
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5288834
Q32ZE1
[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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MLKKKQLTVLDLHPGAGKTRRVLPEIVREAIKKRLRTVILAPTRVVAAEMEEALRGLPVRYMTTAVNVTHSGTEIVDLMCHATFTSRLLQPIRVPNYNLNIMDEAHFTDPSSIAARGYISTRVEMGEAAAIFMTATPPGTRDAFPDSNSPIMDTEVEVPERAWSSGFDWVTDHSGKTVWFVPSVRNGNEIAACLTKAGKRVIQLSRKTFETEFQKTKNQEWDFVITTDISEMGANFKADRVIDSRRCLKPVILDGERVILAGPMPVTHASAAQRRGRIGRNPNKPGDEYMYGGGCAETDEGHAHWLEARMLLDNIYLQDG...
7G9Q_1_k12
0
-4
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62551
P28482
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCO
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LPNIVILATGGTIAGSAATGTQTTGYKAGALGVDTLINAVPEVKKLANVKGEQFSNMASENMTGDVVLKLSQRVNELLARDDVDGVVITHGTDTVEESAYFLHLTVKSDKPVVFVAAMRPATAISADGPMNLLEAVRVAGDKQSRGRGVMVVINDRIGSARYITKTNASTLDTFRANEEGYLGVIIGNRIYYQNRIDKLHTTRSVFDVRGLTSLPKVDILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAGSVSVRGIAGMRKALEKGVVVMRSTRTGNGIVPPDEELPGLVSDSLNPAHARILLMLALTRTSDPKVIQEY...
1JSR_3_k12
0
-3.4
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s499
P03459
[ClH0][CH1][NH0][Branch1][C][H][CH0][Branch1][C][ClH0][=CH0][CH1][Branch1][Branch1][NH0][Ring1][Branch2][H][NH0][Branch1][C][H][CH2][NH0][Ring1][Branch2][H]
ClC1=C2NCNC2NC(Cl)N1
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MTPHINAKIGDFYPQCLLCGDPLRVSYIAKKFLQDAKEITNVRNMLGFSGKYKGRGISLMGHGMGIASCTIYVTELIKTYQVKELLRIGTCGAISPKVGLKDIIMATGASTDSKTNRVRFLNHDLSATPDFELSLRAYQTAKRLGIDLKVGNVFSSDFFYSFETHAFDLMAKYNHLAIEMEAAGLYATAMELNAKALCLCSVSDHLITKEALSPKERVESFDNMIILALEMMS
7OP9_1_k12
2
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8172
P0A1F6
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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MKFTVEREHLLKPLQQVSGPPILGNLLLQVADGTLSLTGTDLEMEMVARVALVQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRFSLSTLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGMLFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMRMLDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKHLEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEILDVTYSGAEMEIGFNVSYVLDV...
4MJP_1_k12
0
-3.8
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s202
Q9KVX3
[CH1][Branch1][S][NH0][Branch1][C][H][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][OH0][H][CH1][=CH0][Branch1][S][NH0][Branch1][C][H][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][OH0][H][NH0][Branch1][C][H][CH2][NH0][Ring2][Ring1][=N][H]
Oc1ccccc1CNC1=CC(NCc2ccccc2O)NCN1
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FYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQAARGNQHDVPVIPDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLK...
4NBN_1_k12
1
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444205
P05414
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4GRL_1_k12
0
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s547
P0C0Y9
[CH2][Branch2][Ring2][=Branch1][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH0][=CH0][Branch1][C][CH3][CH0][=Branch1][C][=OH0][CH0][Branch1][Ring1][OH0][CH3][=CH0][Branch1][Ring1][OH0][CH3][CH0][Ring1][N][=OH0][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH1]...
COC1=C(OC)C(=O)C(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCC=C(C)CCC=C(C)CCCC(C)C)=C(C)C1=O
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2UWW_3_k12
1
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8117
O32164
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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7E6A_3_k12
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s192
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3RHQ_1_k12
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137348248
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5L2F_1_k12
1
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679
P0DTC1
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFaPdScGvKlVqElGlCqMwVkQwVkTaCaGdTpTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCpTdSpEvDcMqLaNpPhNpYsEvDvLsLcIvRvKdSdNqHvNrFiLfViQgArGpNhVdQtLfRgVfIpGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsTrPfKaYeKeFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNrGrSgPtSdGdViYgQmCwAtMlRfPpNlFrTwIiKdGdSdFhLdNpGrSrCfGnStVwGtFwNdIqDdYfDrCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
7MRR_1_k12
0
-1.7
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s703
P29473
[C@@H1][Branch1][S][CH2][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][OH0][H][Branch1][=N][CH2][CH2][CH0][Branch1][#Branch1][NH0][Branch1][C][CH3][OH0][H][=OH0][CH0][=Branch1][C][=OH0][OH0][H]
CN(O)C(=O)CC[C@@H](C[C@H](N)C(=O)O)C(=O)O
GdAdNdKdTaVfVeVeTeTeIaLdEdSpPqYaVkMdMqKdKpNvHlEvMvLdEdGwNlEvRrYiEdGhYlClVsDvLvAvAvElIlAcKvHqCvGvFhKhYyKtLyTdIyVfGdDvGrKaYqGwAdRaDdApDvTvKrIqWiNgGdMpVlGnEcLqVqYvGvKvAgDfIkAyIrAyPqLrTwIdTdLdVvRsEvEvVwIwDpFwSaKdPfFlMdSkLkGfIkSfIkMkIaKfKpGpTqPpIdEaSdAlElDrLvSlKvQdTqEqIqApYeGdTeLaDpShGhSdTvKlEvFcFlRvRpSdKpIpAvVsFsDvKsMnWnTv...
GANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNKWWYDKGECGS
4IGT_2_k12
1
-7.2
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92332561
P11838
[C@@H1][Branch2][Ring1][Branch1][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch2][Ring1][C][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH1][=CH1][Ring1][=Branch2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][...
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
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HMKKILLVFGTRPEAIKMAPLVRALKARADVDAKVCVTAQHRQMLDQVLSLFDIEPDYDLDLMRQGQTLSDVTTGILHAIGAVFDDLRPDIVLVHGDTTTTLAVSLAAFYRYLPIGHVEAGLRSGDIWSPWPEELNRRVTDAVSSWHFAPTGQARDNLLSEGVPVGSVVMTGNTVIDALHDVKHMLERDDALSREVAARFPFLDPTARMVLITGHRRESFGEPFRNFCEALRTLAHRYRDAQFVYPLHLNPNVREPALALLGGEANIYLIEPQEYLAFVYLMSRSHFIITDSGGIQEEGPALGKPVLVTRDTTERPEAIR...
5DLD_3_k12
1
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s174
P00336
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5LDH_1_k12
1
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753
P9WMN1
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OCC(O)CO
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5LHT_2_k12
0
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176
P18031
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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8BYK_2_k12
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96204
P04936
[CH2][Branch1][#Branch2][CH2][CH1][=CH1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCC=CC(=O)O
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1V9U_1_k12
2
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753
351679
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5UOB_3_k12
0
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s666
P0DOX5
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CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)[C@H](NC(=O)c2[nH]cc(C(=O)N[C@@H]4C(=O)Oc5c(ccc(O[C@@H]6OC(C)(C)[C@H](OC)[C@@H](OC(=O)c7ccc(C)[nH]7)[C@H]6O)c5C)[C@H]4O)c2C)C3O)OC1(C)C
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VLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKFDDNSYKVSGGLHGVGVSVVNALSQKLELVIQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVTEFEYEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHYEGGIKAFVEYLNKNKTPIHPNIFYFSTEKDGIGVEVALQWNDGFQENIYCFTNNIPQRDGGTHLAGFRAAMTRTLNAYMDKEGYSKAREGLIAVVSVKVPDPKFSSQTKDKLV...
6ENG_2_k12
1
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s91
P18031
[NH0][Branch2][Ring1][C][CH2][CH0][=CH1][CH0][Branch1][Ring1][OH0][CH3][=CH1][CH0][Branch1][Ring1][OH0][CH3][=CH1][Ring1][#Branch2][CH2][CH2][OH0][CH0][=CH0][Branch1][#C][CH0][=CH0][Branch1][C][CH3][CH1][=CH0][Branch1][C][FH0][CH1][=CH1][Ring1][Branch2][CH1][=CH0][Branch2][Ring1][Ring1][CH2][NH0][CH1][Branch1][=Branch1...
COc1cc(CN2CCOc3c(cc(CN4C=CN(C)C4N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
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GTQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC
8UJY_1_k12
1
-9.5
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753
A1DN10
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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ITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDGDGQTFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTHYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQAFDAVGVK
3T8D_1_k12
0
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446996
612316
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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6GVR_1_k12
0
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753
P09382
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8BJV_1_k12
0
-2.7
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s100
P13726
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1WMA_1_k12
1
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68475223
Q3YUA6
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O=C1CSc2cc(C(=O)O)ccc2N1
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5RU5_1_k12
2
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s754
Q5ATH0
[CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][CH1][=CH0][Ring1][#Branch1][CH0][=CH0][Branch1][P][CH0][=CH1][CH0][=CH0][Branch1][Branch1][NH0][Ring1][Branch1][H][CH1][=CH1][CH1][=CH1][Ring1][Branch2][NH0][Branch1][C][H][CH0][=CH0][Ring1][S][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
O=C1NCC=C1c1c(-c2cc3ccccc3[nH]2)[nH]c2ccccc12
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PIETDVLILGGGPVGMALALDLAHRQVGHLVVDAGDGTITHPKVSTIGPRSMELFRRWGVAKQIRTAGWPGDHPLDAAWVTRVGGHEVYRIPLGTADTRATPEHTPEPDAICPAHWLAPLLAEAVGERLRTRSRLDSFEQRDDHVRATITDLRTGATRAVHARYLVACDGASSPTRKALGIDAPPRHRTQVFRNILFRAPELRSLLGERAALVFFLMLSSSLRFPLRSLDGRGLYNLVVGVDDMDSFELVRRAVAFDTEIEVLSDSEWHLTHRVADSFSAGRVFLTGDAAHTLSPSGGFGMNTGIGSAADLGWKLAATLR...
4EIP_2_k12
1
-9.3
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444205
P22515
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2SEB_1_k12
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767
Q92974
[CH0][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H]
O=C(O)O
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4OYZ_3_k12
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5962
Q9Y606
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NCCCC[C@H](N)C(=O)O
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4NZ6_4_k12
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64960
P04440
[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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4RKK_1_k12
0
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s493
Q9IGQ6
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CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(N)=[NH2+]
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3B7E_4_k12
1
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753
P0AGC3
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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1QTE_1_k12
0
-4
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s642
P07788
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CCN1c2ccc(S(O)(O)O)cc2SC1NNC1Sc2cc(S(O)(O)O)ccc2N1CC
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TLEKFVDALPIPDTLKPVQQSKEKTYYEVTMEECTHQLHRDLPPTRLWGYNGLFPGPTIEVKRNENVYVKWMNNLPSTHFLPIDHTIHEPEVKTVVHLHGGVTPDDSDGYPEAWFSKDFEQTGPYFKREVYHYPNQQRGAILWYHDHAMALTRLNVYAGLVGAYIIHDPKEKRLKLPSDEYDVPLLITDRTINEDGSLFYPSAPENPSPSLPNPSIVPAFCGETILVNGKVWPYLEVEPRKYRFRVINASNTRTYNLSLDNGGDFIQIGSDGGLLPRSVKLNSFSLAPAERYDIIIDFTAYEGESIILANSAGCGGDVNP...
3ZDW_2_k12
2
-6.8
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444205
P0DTC1
[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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1IAK_1_k12
0
-2.9
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753
P05132
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2QCS_1_k12
0
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445184
Q8GBW6
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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7AQZ_3_k12
0
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s143
P35354
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1TYN_1_k12
1
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4867
P25714
[CH2][Branch1][#C][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
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GQGKLISVKTDVLDLTINTRGGDVEQALLPAYPKELNSTQPFQLLETSPQFIYQAQSGLTGRDGPDNPANGPRPLYNVEKDAYVLAEGQNELQVPMTYTDAAGNTFTKTFVLKRGDYAVNVNYNVQNAGEKPLEISSFGQLKQSITLFRGAAYSTPDEKYEKYKFDTIADNENLNISSKGGWVAMLQQYFATAWIPHNDGTNNFYTANLGNGIAAIGYKSQPVLVQPGQTGAMNSTLWVGPEIQDKMAAVAPHLDLTVDH
3BS6_2_k12
0
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s551
P0DTC1
[CH0][Branch2][Ring1][=Branch1][NH0][Branch1][C][H][CH0][=CH1][NH0][Branch1][C][H][CH1][=CH0][CH0][Ring1][#Branch1][=CH1][CH1][=CH1][CH2][Ring1][=Branch1][=Branch1][C][=OH0][CH2][CH0][=CH1][CH0][Branch1][C][ClH0][=CH1][CH1][=CH0][Ring1][#Branch1][OH0][CH3]
COc1ccc(Cl)cc1CC(=O)NC1=CNC=C2CC=CC=C21
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkViYkCfPfRlHcVnIlCdTdSpEvDcMqLaNpPhNpYsEvDvLsLvIvRpKdSdNqHvNrFmLwViQcArGpNpVdQtLwRgVfIpGdHwSdMdQqNaCgVmLiKiLtKgVtDdTgAtNrPpKsThPfKaYeKdFfVdRaIdQaPfGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAtMqRwPnNlFrTwItKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYaDrCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
7S3K_1_k12
1
-7.2
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439680
P49424
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OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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1ODZ_2_k12
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s665
Q6P988
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Cc1ccc(C)c(OC(=O)C2=CCNC=C2)c1
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7BD8_3_k12
1
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s617
O60674
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NC(=O)c1cc(C2C=CNC(N)N2)[nH]c1-c1cc(C(F)(F)F)ccc1Cl
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4D0X_2_k12
1
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s299
Q27797
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4PLF_2_k12
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177
P00489
[CH1][=Branch1][C][=OH0][CH3]
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2V5W_2_k12
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176
O69315
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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1KWK_1_k12
0
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3ORF_1_k12
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8892
B8NM79
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH3]
CCCCCC(=O)O
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6V8L_1_k12
0
-4.9
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9824580
Q3YYG6
[CH2][Branch2][Ring1][=C][OH0][CH0][=CH1][CH1][=CH0][Branch2][Ring1][C][CH2][C@@H1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][SH0][Ring1][Branch2][CH1][=CH1][Ring1][#C][C@@][Branch1][C][CH3][CH2][CH2][CH0][=CH0][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][C][CH3][CH0][Branch1]...
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)O2
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6HN8_1_k12
1
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753
Q9LTA3
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7ERX_1_k12
0
-3.8
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174
Q7A7P2
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
CdTkVkQkVfRkLkEkLkGkHkRkAkQfLqRdKpKdPaTdTpEvGrFfTgHiDkWmMkViFfViRdGgPdEpQpCfDdIlQlHlFwVfEqKkVkVwFkWqLaHdDpSpFdPdKpPsRtRdViCdKrEdPpPrYrKmVdEiEdStGhYhAfGwFdIfMiPwImEkVtHaFtKpNaKpEdEpPpRrKiVdCiFdTgYdDtLgFgLhNaLdEpGpNvPpPdVdNrHmLdNmHdLmRdCmEdKmLdTmFdNdNpPgTdTpEsFnRvYcKsLsLvRsArGvGiVdMdVd
CTVQVRLELGHRAQLRKKPTTEGFTHDWMVFVRGPEQCDIQHFVEKVVFWLHDSFPKPRRVCKEPPYKVEESGYAGFIMPIEVHFKNKEEPRKVCFTYDLFLNLEGNPPVNHLNHLRCEKLTFNNPTTEFRYKLLRAGGVMV
7B10_1_k12
0
-2.3
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
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s153
P09546
[NH0][Branch2][Ring2][Branch2][CH0][=Branch1][C][=OH0][C@H1][Branch1][#Branch1][CH2][C@@H1][Branch1][C][CH3][CH3][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][=CH1][CH0][=CH0][Branch1][=Branch2][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][OH0][CH3][NH0][Ring1][O][H][Branch1][C][H][C@H1][Branch2][Ring1][Branch2][C@H1][Br...
COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](O)C3Nc4ccccc4S3)cc12
SdGaFdRdKqMdAaFaPdScGvKlVqElGlCqMwVkQwVkTaCaGvTpTdTiLaNiGwLgWaLaDfDqVkVtYkCfPfRqHvVsIqCdTdSdEpDpMlLqNpPdNdYsEvDvLsLvIvRpKdSdNqHvNrFiLwViQqArGpNnVdQtLwRgVfIdGdHwSdMaQqNaCrVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAtMqRfPpNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYvDrCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
6XR3_1_k12
1
-8.7
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753
P21890
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdSaFaKaAlAvDlLeQaLeEdMfTdQpKdPfHdKdKaPdPvLpVdFpGdKdTdFfTgDqHwMkLkMkVwEkWfNfDlKvGgWiGdQhPiRyIiQyPgFdQdNdLdTdLaHqPpAqSfScScLpHvYvSqLqQkLfFkEfGkMwKwAwFaKqGfKpDvQsQfViRwLtFfRlPvWlLvNrMlDvRqMvLqRvSqAcMvRvLsClLhPdSdFhDdKsLvErLvLvEsCnIvRvRvLnIcEvVvDrKsDvWnVaPdDhAdApGqTkStLkYmVkRmPkVmLkIgGaNgEaPnSdLnGdVpSdQrPhTrRmAiLmLiFmVmIi...
SSFKAADLQLEMTQKPHKKPPLVFGKTFTDHMLMVEWNDKGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPDAAGTSLYVRPVLIGNEPSLGVSQPTRALLFVILCPVGAYFPGGSVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDHQLTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTACQVCPVHRILYK...
5I5Y_4_k12
0
-2.7
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204665
P07550
[OH0][Branch1][P][CH2][C@@H1][Branch1][Ring1][OH0][H][CH2][NH0][Branch1][C][H][C@H1][Branch1][C][CH3][CH3][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][CH2][CH1][=CH2]
C=CCc1ccccc1OC[C@@H](O)CNC(C)C
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6PRZ_4_k12
1
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7054
Q5SIJ1
[CH0][=CH0][Branch1][=N][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][Ring1][#Branch1][=OH0][CH1][=CH1][CH1][=CH1][Ring1][N]
O=C1Nc2ccccc2C1=O
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NKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEA...
2XFP_2_k12
2
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564
P10539
[CH2][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][NH0][Branch1][C][H][H]
NCCCCCC(=O)O
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3VWP_2_k12
2
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444205
P11838
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7POI_1_k12
0
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82313
P02618
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CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O
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4Z2S_3_k12
2
-6
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753
Q9Y253
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7M81_1_k12
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Q5IS54
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4QUB_2_k12
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867
P26836
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14080393
Q9X1G6
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Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)c1[nH]c(=O)[nH]c(=O)c1N2
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5KC4_1_k12
1
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s74
Q0T1H4
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Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](N3CNC4=C(N)NCNC43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2
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5O8E_2_k12
1
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s829
P06010
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CCC1=C(C)c2cc3[nH]c(cc4[nH+]c(c5c6[nH]c(cc1[nH+]2)c(C)c6C(=O)[C@@H]5C(=O)OC)C(CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C4C)c(C)c3C(C)=O
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ALLSFERKYRVRGGTLIGGDLFDFWVGPYFVGFFGVSAIFFIFLGVSLIGYAASQGPTWDPFAISINPPDLKYGLGAAPLLEGGFWQAITVCALGAFISWMLREVEISRKLGIGWHVPLAFCVPIFMFCVLQVFRPLLLGSWGHAFPYGILSHLDWVNNFGYQYLNWHYNPGHMSSVSFLFVNAMALGLHGGLILSVANPGDGDKVKTAEHENQYFRDVVGYSIGALSIHRLGLFLASNIFLTGAFGTIASGPFWTRGWPEWWGWWLDIPFWSADYQTIYTQIQARGPHITVSGEWGDNDRVGKPFYSYWLGKIGDAQIG...
3PRC_2_k12
1
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