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
82313
Q06486
[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
DdPdDdKdIdCdLdGdHdHdAfVdApNdGfTdIfVaKdTdLpTvNdErQgEfEtVfTrNdAwTdEwTqVaEdSaTdSdLdNqRaLaCaMqKaGpRwNqHeKdDeLlGdNlCaHqPlIlGcMlLfIqGaTqPqAsCcDvLvHpLvTwGdTfWtDqTeLyIeEdReKpNnArIdArYdClYfPaGaAeTeVdNvEvKvAvLsRsQvKvIsMqEfSfGgGiIkSdKkIdNfTqGpFdTdYdGdSpSqIkNdSfAfGdTfTdKpAsCrMdRdNpGhGdNtShFgYrApEfLwKtWaLiVfSgKpNaKfGqQdNaFqPdQkTdTk...
DPDKICLGHHAVANGTIVKTLTNEQEEVTNATETVESTSLNRLCMKGRNHKDLGNCHPIGMLIGTPACDLHLTGTWDTLIERKNAIAYCYPGATVNEKALRQKIMESGGISKINTGFTYGSSINSAGTTKACMRNGGNSFYAELKWLVSKNKGQNFPQTTNTYRNADTAEHLIMWGIHHPSSTQEKNDLYGTQSLSISVGSSTYKNSFVPVVGARPQVNGLSGRIDFHWTLVQPGDKIIFSHNGGLIAPSRVSKLIGRGLGIQSEAPIDNSCESKCFWRGGSINTRLPFQNLSPRTVGQCPKYVNKKSLMLATGMRNVPE
6TVB_2_k12
0
-4.8
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444205
Q9Y617
[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
MdGaPfVeMeLeNeVaEqGaClEaLdDdApEvEvRlEvIvLqAqHfPpLnVyGaGeLyIeLdFaTlRrNnYdHdDePlEvQsLlRlEvLrVvRvQvIsRcAvAsShRnNdHpLhVqVyAeVyDaQdEqGaGdRpVgQhRrFdRdEvGhFaTfRhLfPaAqAlQqSlFlFcAvLpHpGnLqEpErGsGlRvLlAlQlElArGlWqLrMsAlSlEsMcIvAlMsDqIhDqIyShFaAdPdVeLlDaVaGaHaIlSaApAvIcGhEsRsSqYnHyAnDfPnAvKrAsLlAsMnArTvRsFsIlDnGnMnHvDvAnGqMfKaTy...
MGPVMLNVEGCELDAEEREILAHPLVGGLILFTRNYHDPEQLRELVRQIRAASRNHLVVAVDQEGGRVQRFREGFTRLPAAQSFFALHGLEEGGRLAQEAGWLMASEMIAMDIDISFAPVLDVGHISAAIGERSYHADPAKALAMATRFIDGMHDAGMKTTGKHFPGHGAVTADSHKETPCDPRPETDIRGKDMSVFRTLISENKLDAIMPAHVIYRAIDPRPASGSPYWLKTVLRQELGFDGVIFSNDLSMSYAERAQASLDAGCDMILVCNNRKGAVSVLDNLSPIKAERVTRLYHKGSFSRRELMDSARWKTASAQL...
4GVI_3_k12
0
-4.9
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311
P9WPA7
[C@@][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
O=C(O)CC(O)(CC(=O)O)C(=O)O
EdPdSdPlYkVdEkFdDfRlRvQrWqRlAvLlRlMpSpTfPdLdApLaTdEqEvErLlVvGvLlRfGdLvGlEaQpIdDdLvLvElVcEnEsVpYvLrPsLvAlRvLvIvHvLvQlVlAvAvRvQqRvLvFvAqAvTvAcEvFvLvGvEhPdQrQdNdPpDvRfPgVqPaFaIeIeGeVeAaGeSfVdAlVlGrKsSsTsTvAvRsVsLnQqAvLrLnAcRpWdDvHvHrPfRfVeDeLeVaTeTqDqGlFqLfYaPfNvAvEvLcQvRvRvNpLcMpHlRaKgGqFaPpEvSrYgNpRqRvAlLvMqRvFqVvTvScVl...
EPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL
2ZSE_5_k12
0
-3.9
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s143
P00636
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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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NIVTLTRFVMEEGRKARGTGEMTQLLNSLCTAVKAISTAVRKAGIAHLYGIAGSKKLDVLSNDLVINVLKSSFATCVLVSEEDKNAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSIGTIFGIYRKNSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMVNGVNCFMLDPAIGEFILVDRDVKIKKKGSIYSINEGYAKEFDPAITEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVYGGIFMYPANKKSPKGKLRLLYECNPMAYVMEKAGGLATTGKEAVLDIVPTDIHQRAPIILGSPEDVTELLEIYQKHA
4H46_3_k12
1
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90655273
P00734
[CH2][Branch1][=N][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1]
OS(O)(O)CCN1CCOCC1
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HPICEVSKVASHLEVNCDKRDLTALPPDLPKDTTILHLSENLLYTFSLATLMPYTRLTQLNLDRCELTKLQVDGTLPVLGTLDLSHNQLQSLPLLGQTLPALTVLDVSFNRLTSLPLGALRGLGELQELYLKGNELKTLPPGLLTPTPKLEKLSLANNNLTELPAGLLNGLENLDTLLLQENSLYTIPKGFFGSHLLPFAFLHGNPWLCNCEILYFRRWLQDNAENVYVWKQGVDVKAMTSNVASVQCDNSDKFPVYKYPGKGCPTLGDEGDTDLYDYY
1P8V_1_k12
2
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s76
P27338
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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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NKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEA...
3PO7_2_k12
1
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679
Q55480
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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4LBX_1_k12
0
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446973
P37634
[CH2][Branch1][Ring2][CH2][OH0][H][C@H1][Branch1][C][CH3][OH0][H]
C[C@H](O)CCO
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VMNRLILAMDLMNRDDALRVTGEVREYIDTVKIGYPLVLSEGMDIIAEFRKRFGCRIIADFKVADIPETNEKICRATFKAGADAIIVHGFPGADSVRACLNVAEEMGREVFLLTEMSHPGAEMFIQGAADEIARMGVDLGVKNYVGPSTRPERLSRLREIIGQDSFLISPGGETLRFADAIIVGRSIYLADNPAAAAAGIIESIVMNRLILAMDLMNRDDALRVTGEVREYIDTVKIGYPLVLSEGMDIIAEFRKRFGCRIIADFKVADIPETNEKICRATFKAGADAIIVHGFPGADSVRACLNVAEEMGREVFLLTEM...
1LOL_1_k12
0
-3.3
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753
P08709
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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IVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP
5L30_1_k12
0
-3.2
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176
P28870
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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5HW6_1_k12
0
-2.4
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64689
P28623
[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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TQMRDLTASQLLDEITIGWNLGNTLDATTTSWLPNPTPAQSETAWGCPMTTKAMIDKVKEGGFNTVRVPVSWIDHTGSAPEYQIDEAWMNRVQEVVNYVIDNDMYCILNIHHENDWLIPTNAQKDSVNARLDAIWTQIATRFGSYDEHLIFEGMNQPRLVGDPNEWNGGNQEARQVINSYNQTFVNTVRATGGNNAIRCLMVPTYAASCSSTTVNDFVLPTDTVANKLIVDIHSYSPYNFALNTSGTSSFTQSDISQLQWTLQEIYNSFGAKGIPVIIGQFGALNKNNINGRVLWGENYLRIAKSYNIRCIWWDNNAFDT...
6WQV_3_k12
2
-5.4
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767
Q9AGA6
[CH0][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H]
O=C(O)O
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6DUX_2_k12
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445184
P10041
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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SGSFELRLKYFSNDHGRDNEGRCCSGESDGATGKCLGSCKTRFRVCLKHYQATIDTTSQCTYGDVITPILGENSVNLTQNKGFTNPIQFPFSFSWPGTFSLIVEAWHDTNNSGNARTNKLLIQRLLVQQVLEVSSEWKTNKSESQYTSLEYDFRVTCDLNYYGSGCAKFCRPRDDSFGHSTCSETGEIICLTGWQGDYCHIPKCAKGCEHGHCDKPNQCVCQLGWKGALCN
7ALK_3_k12
0
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s39
Q6P9V9
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CN1NC=C(Cl)C1C(=O)N1CCCCC1
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7BD9_1_k12
1
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166597670
Q15485
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O=c1[nH][nH]c(=O)c2cc(OCC3CCCCC3)ccc12
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7PWQ_2_k12
1
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6027
486664
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O[C@@H]1[C@@H](O)[C@@H](O)OC[C@H]1O
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1UY3_1_k12
0
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753
P00760
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
7BSA_1_k12
0
-3.3
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753
Q9I685
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8CG0_2_k12
0
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445184
Q9NR97
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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5AWD_2_k12
0
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753
Q01063
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MRFLYHPDRKDISLPGVLYALGDPARLEIVRLLASKGEQCCAEFDFAIAKSTMSNHFKILRESGVVLTRKEGTQHINRLRREDLETLFPGLLDAVLRSAQPLLTC
7TXN_1_k12
0
-2.5
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92974151
P56950
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TKYAEGTQPFTVLIEGNIGSGKTTYLNHFEKYKNDICLLTEPVEKWRNVNGVDLLELMYKDPKKWAMPFQSYVTLTMLQSHTAPTNKKLKIMERSIFSARYCFVENMRRNGSLEQGMYNTLEEWYKFIEESIHVQADLIIYLRTSPEVAYERIRQRARSEESCVPLKYLQELHELHEDWLIHQRRPQSCKVLVLDAD
1ZM7_1_k12
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s638
P33642
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C[C@@H](NC1N[C@@H](Cl)NC2C1=CNN2C)c1ccc(C(F)(F)F)cc1
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6B97_2_k12
1
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64960
Q07982
[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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1RYD_3_k12
2
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176
Q12830
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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1THQ_3_k12
0
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70741
O70632
[CH0][Branch1][Ring1][CH1][=OH0][=CH1][CH1][=CH0][Branch1][C][BrH0][CH1][=CH1][Ring1][=Branch2]
O=Cc1ccc(Br)cc1
PdLvVvVvAvAvSvIvIvAvIvLvHvLvIvLvWvIvLvDvRvLd
PLVVAASIIAILHLILWILDRL
3LBW_1_k12
0
-2.6
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[0,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
90655273
P30405
[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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NSNICEVCNKWGRLFCCDTCPRSFHEHCHIPSVEANKNPWSCIFCRIKTIQERCPESQSGHQESEVLMRQMLPEEQLKCEFLLLKVYCDSKSCFFASEPYYNREGSQGPQKPMWLNKVKTSLNEQMYTRVEGFVQDMRLIFHNHKEFYREDKFTRLGIQVQDIFEKNFRNIFAIQETSENSNICEVCNKWGRLFCCDTCPRSFHEHCHIPSVEANKNPWSCIFCRIKTIQERCPESQSGHQESEVLMRQMLPEEQLKCEFLLLKVYCDSKSCFFASEPYYNREGSQGPQKPMWLNKVKTSLNEQMYTRVEGFVQDMRLIF...
5PWH_1_k12
0
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439709
P11759
[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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MRISIFGLGYVGAVCAGCLSARGHEVIGVDVSSTKIDLINQGKSPIVEPGLEALLQQGRQTGRLSGTTDFKKAVLDSDVSFICVGTPSKKNGDLDLGYIETVCREIGFAIREKSERHTVVVRSTVLPGTVNNVVIPLIEDCSGKKAGVDFGVGTNPEFLRESTAIKDYDFPPMTVIGELDKQTGDLLEEIYRELDAPIIRKTVEVAEMIKYTCNVWHAAKVTFANEIGNIAKAVGVDGREVMDVICQDHKLNLSRYYMRPGFAFGGSCLPKDVRALTYRASQLDVEHPMLGSLMRSNSNQVQKAFDLITSHDTRKVGLLG...
1MV8_5_k12
0
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174
Q9Y251
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5LA4_2_k12
0
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3776
P00760
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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5WT4_1_k12
0
-2.5
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753
P18188
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4UPE_2_k12
0
-3.9
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5288834
Q5ZIS0
[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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MKITVLGCGALGQLWLTALCKQGHEVQGWLRVPQPYCSVNLVETDGSIFNESLTANDPDFLATSDLLLVTLKAWQVSDAVKSLASTLPVTTPILLIHNGMGTIEELQNIQQPLLMGTTTHAARRDGNVIIHVANGITHIGPARQQDGDYSYLADILQTVLPDVAWHNNIRAELWRKLAVNCVINPLTAIWNCPNGELRHHPQEIMQICEEVAAVIEREGHHTSAEDLRDYVMQVIDATAENISSMLQDIRALRHTEIDYINGFLLRRARAHGIAVPENTRLFEMVKRKESEYE
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753
Q9Y9L0
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4Z2K_2_k12
0
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s612
P42556
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4HOE_2_k12
1
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s381
P0A1F6
[C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][C@@H1][Branch2][Ring1][=Branch1][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH2][Ring1][O][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][Branch1][OH0][H]
NC1=CCN([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
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5EFO_5_k12
1
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5288845
P11838
[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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AVPKIRIAVPSKGRISEPAIRLLENAGVGLKDTVNRKLFSKTQHPQIEVMFSRAADIPEFVADGAADLGITGYDLIVERGSDVEILEDLKYGRASLVLAAPEDSTIRGPEDIPRGAVIATEFPGITENYLREHGIDAEVVELTGSTEIAPFIGVADLITDLSSTGTTLRMNHLRVIDTILESSVKLIANRESYATKSGIIEELRTGIRGVIDAEGKRLVMLNIDRKNLDRVRALMPGMTGPTVSEVLSDNGVVAVHAVVDEKEVFNLINRLKAVGARDILVVPIERIIPAVPKIRIAVPSKGRISEPAIRLLENAGVGLK...
2VD3_2_k12
0
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s1
Q9X0I3
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7M76_3_k12
2
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124511194
P19549
[C@H1][Branch2][Ring1][N][CH2][OH0][C@H1][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][Branch2][Ring1][#Branch1][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]...
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC
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7DKZ_7_k12
0
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444205
P16442
[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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7AW6_1_k12
0
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154858665
P68136
[NH0][Branch2][Ring1][Ring1][CH0][=Branch1][C][=OH0][CH0][=CH1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH1][=CH1][Ring1][Branch2][Branch1][C][H][CH2][CH2][OH0][CH0][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH1][CH1][=CH1][Ring1][Branch2]
COc1ccccc1OCCNC(=O)c1cc[nH]c(=O)c1
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSvEvDqMqLqNpPhNpYsEvDvLsLcIvRvKdSdNqHvNrFiLwViQgAqGpNhVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQiCwAgMqRfPnNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYpDgCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GCO_2_k12
1
-7.2
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447634
P02883
[C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][Ring2][Ring1][C]
O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O
SdVlDlQlKvAqIlSlTlIlRlLqLlAlVqDlAlVcAvAlAvNqSwGaHfPnGfAvPsLlGwLcAsPlAvAvHsAlVvFvKlKpMwRqFaNaPlKvDdTlKqWlIlNqRtDaRaFeVaLeSqNcGqHsAsCcAsLsLvYlSsMvLsVqLlYlGdYhDpLhThVsEvDlLsKsKcFaRcQpLpGpSgKlThPnGsHgPhEfNvTvDrVhPrGrAhElVfTtThGdPlLaGqQlGrIvClNlGlVlGlIlAlLlAlQlAlQlFvAqAvTlYqNaKdPvDvFqPsIlSyDdSyYaTyYeVyFeLhGeDpGrCnLvMpEdGvVl...
SVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDTKWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPENTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVFLGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVIARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGSLAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAENQKIQQQWNELFAAYKQKYPE...
5XQA_1_k12
0
-4.9
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176
Q43965
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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7VQF_2_k12
0
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23644701
P56817
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2QZL_1_k12
1
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s648
Q06862
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COc1ccc(C[C@@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CCC2CCCCC2)[C@@H](O)C(C)(C)O)cc1
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6HVV_2_k12
1
-8.5
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s223
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6A7X_3_k12
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5994
P09211
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1YA3_1_k12
1
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162884050
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5H2F_3_k12
1
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174
P01584
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
RdDlPlDvQvLvYlSvTlLvKvSvIlLlQvQvVlKcSvHdQpSlAqWvPvFqMaEdPwVdKdRcTvEvAvPvGcYlYcEvVpIqRpFdPtMaDgLsKvTvMvSvEvRcLsKvNvRsYvYpVsSaKpKvLvFvMcAvDrLlQvRsVsFlTvNsCqKpEvYvNdPdPcEpSdEsYnYnKvCsAsNvIvLsEvKvFvFsFvSvKsIcKvEvAsGvLgIdDd
RDPDQLYSTLKSILQQVKSHQSAWPFMEPVKRTEAPGYYEVIRFPMDLKTMSERLKNRYYVSKKLFMADLQRVFTNCKEYNPPESEYYKCANILEKFFFSKIKEAGLID
5FE6_2_k12
0
-2.5
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679
Q00987
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGpThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCpTdSpEvDcMqLaNpPhNdYsEvDvLsLvIvRpKdSdNqHvNsFmLwViQgAdGpNpVdQtLwRgVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQdTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQiCwAtMqRfPnNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIaDdYdDrCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
7GM1_1_k12
0
-1.9
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s593
P0ABE7
[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][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Ring1][O][NH0][Branch1][C][H][CH2][R...
NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
MdIeLeVeFeLaGePaPaGqAlGcKlGvTvQlAlKvRvLcAcKvEpKvGvFaVdHeIdSaTvGvDvIvLlRvEvAcVlQvKvGvTpPpLsGnKvKqAcKvEvYcMvElRqGlEhLdVrPdDlDvLsIvIlAvLvIcEvEvVpFdPdKlHdGgNyVyIyFyDhGhFpPdRqTaVvKvQrAvEvAsLvDqEvMvLqEvKvKsGvLhKhVhDqHaVyLeLyFrEdVdPdDpEvVnVsIlEqRsLlSlGqRwRkIaNqPpEvTpGrEdViYaHgVvKpYqNgPnPdPdPpGpVrKdViIdQrKdEsDcDsKdPpEsVnIsKvKs...
MILVFLGPPGAGKGTQAKRLAKEKGFVHISTGDILREAVQKGTPLGKKAKEYMERGELVPDDLIIALIEEVFPKHGNVIFDGFPRTVKQAEALDEMLEKKGLKVDHVLLFEVPDEVVIERLSGRRINPETGEVYHVKYNPPPPGVKVIQKEDDKPEVIKKRLEVYREQTAPLIEYYKKKGILRIIDASKPVEEVYRQVLEVIG
4JLP_1_k12
1
-9.1
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7466
P14418
[CH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][=CH1][CH1][=CH0][Branch1][C][BrH0][CH1][=CH1][Ring1][#Branch2]
CC(=O)c1ccc(Br)cc1
SdLvIvQvFlEqTvLlIlMcKvVqAqKvKdSgGlMvFvWaYqSqNaYfGaCqYfCsGhWpGdGgQaGaRdPqQpDdAqTlDsRvClCrFvVvHlDvCvClYqGvKpVqTdGdCdDhPlKvMpDdVdYwSdFwSdEqEdNpGnDaIiVgCtGdGdDdDdPpCsKsKsEsIsCvEvCsDsRrAsAsAsInCsFnRnDvNcLpTvLpYrNdDcKvKcYtWgAnFvGdAvKvNnCrPdQnEvErSgEdPdCd
SLIQFETLIMKVAKKSGMFWYSNYGCYCGWGGQGRPQDATDRCCFVHDCCYGKVTGCDPKMDVYSFSEENGDIVCGGDDPCKKEICECDRAAAICFRDNLTLYNDKKYWAFGAKNCPQEESEPC
1BK9_2_k12
2
-5.7
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[0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
445318
P29991
[C@@H1][Branch1][#Branch2][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][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][Ring2][Ring1][Branch2]
CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CdAvWvLvEvAvQvEvEvEcEvVvGhFpPpVhRqPaQpVdPdLaRePaMdTaYqKqAnAlLqDvIvSqHvFcLcKvEpKvGhGdLqEaGfLdIwWdSdQpRvRvQlEvIvLvDlLvWvIcYcHrTpQpGrYhFhPsDpWqQfNdYfTdPdGdPdGaIkRtYaPgLqThFqGnWnCqFwKiLwVgPfVpEpEvKvEgVtLtVgWtRdFgDdSpKvLsAnFpHdHvMvAcRcEvLvHdPvEvYvYdCdAcWvLvEvAvQvEvEvEcEvVvGdFpPpVhRqPaQpVdPeLaRdPeMdTaYlKvAnAlLqDvIvSlHvFvLcKv...
CAWLEAQEEEEVGFPVRPQVPLRPMTYKAALDISHFLKEKGGLEGLIWSQRRQEILDLWIYHTQGYFPDWQNYTPGPGIRYPLTFGWCFKLVPVEEKEVLVWRFDSKLAFHHMARELHPEYYCAWLEAQEEEEVGFPVRPQVPLRPMTYKAALDISHFLKEKGGLEGLIWSQRRQEILDLWIYHTQGYFPDWQNYTPGPGIRYPLTFGWCFKLVPVEVLVWRFDSKLAFHHMARELHPEYY
6B72_1_k12
2
-6.5
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s655
P00929
[CH2][Branch2][Ring2][#Branch1][N+1][Branch1][C][H][=CH0][Branch2][Ring1][=Branch2][CH2][C@@][Branch1][Ring1][OH0][H][CH0][=CH0][Branch1][=Branch2][NH0][Branch1][C][H][CH0][Ring1][Branch2][=OH0][CH1][=CH1][CH1][=CH1][Ring1][#Branch2][CH0][=Branch1][C][=OH0][OH0][H][CH0][=CH0][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0...
CC1=C(O)C(C[NH+]=C(C[C@]2(O)C(=O)Nc3ccccc32)C(=O)O)=C(COP(=O)(O)O)CN1
TdTaLpLdNdPqYaFlGvEqFkGgGaMfYpVdPdQpIlLcMpPvAlLqNrQlLlErEvAlFvVvSvAlQvKpDdPvEvFsQvAvQvFlAvDcLcLqKpNvYpAfGnRpPpTfAdLwTaKwCfQpNfIlTlApGlTfRqTeTtLeYtLeKrRpEqDcLsLtHvGlGfAfHlKlTlNlQlVlLlGsQvAvLvLsAcKvRvMsGvKaSqEeIeIeAeEeTdGfAlGqQsHnGlVlAsSnAlLqAsScAlLvLsGrLhKaCyReIyYeMaGqAqKvDsVcEvRlQqSvPvNsVvFvRsMsRvLvMsGpAyEhVyIdPyVfHdSp...
TTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGR...
6XT0_3_k12
1
-12.8
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s661
P0A017
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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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TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK
3SRR_1_k12
1
-11.7
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8117
O00560
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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GLKAAQKTLFPLRSIDDVVRLFAAELGREEPDLVLLSLVLGFVEHFLAVNRVGLTYFPVADLSIIAALYARFTAQIRGAVDLSLYPREGGVSSRELVKKVSDVIWNSLSRSYFKDRAHIQSLFSFITGTKLDSSGVAFAVVGACQALGLRDVHLALSEDHAWVVFGPNGEQTAEVTWHGKGNEDRRGQTVNAGVAERSWLYLKGSYMRCDRKMEVAFMVCAINPSIDLHTDSLELLQLQQKLLWLLYDLGHLERYPMALGNLADLEELEPTPGRPDPLTLYHKGIASAKTYYRDEHIYPYMYLAGYHCRNRNVREALQAW...
4OG4_2_k12
0
-3.6
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61503
A8Z0K3
[C@H1][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
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3D4P_1_k12
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101392
P43133
[CH0][=Branch1][C][=OH0][Branch1][Ring1][CH1][=OH0][CH2][OH0][H]
O=CC(=O)CO
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1S17_1_k12
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176
P42212
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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2B3P_2_k12
0
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79025
P00918
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7MQ6_2_k12
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513551
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2YJ5_2_k12
1
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753
Q9KQH9
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OCC(O)CO
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3BDD_1_k12
0
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O60885
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s203
P00761
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445184
P00415
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s984
P20760
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1U87_1_k12
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767
P05164
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4IAI_2_k12
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5281
P19821
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7CRY_1_k12
0
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114864
P52895
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CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1
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4JTR_5_k12
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s687
P0DTD1
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9EMV_5_k12
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176
P9WNY5
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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8CZ5_1_k12
0
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11578126
P07900
[CH0][Branch2][Ring1][S][CH0][=CH1][CH1][=CH0][Branch2][Ring1][Ring2][OH0][CH2][CH2][OH0][CH0][=CH0][Branch1][C][ClH0][CH1][=CH0][Branch1][C][CH3][CH1][=CH0][Ring1][Branch2][ClH0][CH1][=CH1][Ring2][Ring1][Ring1][=CH0][Branch2][Ring1][O][CH0][Branch2][Ring1][=Branch1][NH0][Branch1][=Branch1][C@H1][CH2][CH2][Ring1][Ring1...
Cc1cc(Cl)c(OCCOc2ccc(C3=C(C(=O)N(Cc4cccc(C)c4C)C4CC4)[C@H]4CNC[C@@H](C3)N4)cc2)c(Cl)c1
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3G6Z_1_k12
1
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444205
A7LXU3
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6JGG_4_k12
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12000813
O60885
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4CYW_3_k12
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174
P53539
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6UCM_1_k12
0
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13990016
B0BAN6
[CH0][Branch1][Ring1][OH0][H][=CH0][CH0][=Branch1][#Branch2][=CH1][CH0][Branch1][Ring1][OH0][H][=CH1][Ring1][#Branch2][CH2][C@H1][Branch1][=N][CH2][C@@H1][OH0][C@@H1][Branch1][C][CH3][CH2][CH2][CH2][Ring1][#Branch1][OH0][CH0][Ring2][Ring1][Ring1][=OH0]
C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1
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EVEYLQHEDYLYRTSKLKEIRDLGINPYPYQYTDCLEVQEIRNQFVDNELGDSEAAFRKETPKVRFAGRLVLFRSMGKNAFGQILDNDAKIQVMFNRDFSAVAGLAADAGISPIKFIEKKLDLGDILGLEGYLFFTHSGELTVLVETVTLLCKSLISLPDKHAGLADKEIRYRKRWADLISSEDVRKTFLTRSRILKLIREYMDQQSFLEVETPILQTVYGGAEATPFVTTLQALHAEMFLRISLEIALKKLLVGGMSRVYEIGKVFRNEGIDRTHNPEFTMIEAYAAYWDYNDVMKCVENLVEYIVRALNNGETQVQYS...
6NS0_4_k12
1
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s228
P11838
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C[C@@H]1CCC=C[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O
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EDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVE
6OQC_1_k12
1
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176
P30419
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
5RCA_3_k12
0
-2.6
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70
P21175
[CH0][=Branch1][C][=OH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][C@@H1][Branch1][C][CH3][CH3]
CC(C)CC(=O)C(=O)O
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5ERE_2_k12
2
-6.4
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174
P02766
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTN
5K1N_5_k12
0
-2.1
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447053
P02769
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][Ring1][=N]
C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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DYVLYKDATKPVEDRVADLLGRMTLAEKIGQMTQIERLVATPDVLRDNFIGSLLSGGGSVPRKGATAKEWQDMVDGFQKACMSTRLGIPMIYGIDAVHGQNNVYGATIFPHNVGLGATRDPYLVKRIGEATALEVRATGIQYAFAPCIAVCRDPRWGRCYESYSEDRRIVQSMTELIPGLQGDVPKDFTSGMPFVAGKNKVAACAKHFVGDGGTVDGINENNTIINREGLMNIHMPAYKNAMDKGVSTVMISYSSWNGVKMHANQDLVTGYLKDTLKFKGFVISDWEGIDRITTPAGSDYSYSVKASILAGLDMIMVPNK...
1IEV_5_k12
0
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2778378
P42212
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8117
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OCCOCCO
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LTPEQIIAVDGAHLWHPYSSIGRESPVVAVAAHGAWLTLIRDGQPIEVLDAMSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGLDTVFFSDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDPHGGMHSLWTDVLAAQVFAPQVPRDYDPAYSAAFEAQLAQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIATGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISAGAAGALMHGPTFMANPLACAVS...
4CXQ_4_k12
0
-2.6
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174
P29473
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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EVGISASTNIPGAQYPQILSGNRVLFRIKAPDAKRVQVDLGKKYDMVREEEGSWAITTDPIVEGFHYYSILIDGVAVCDPASRTFYGMSRMASGIEIPEEGVDYYNLKNVPHGQIRQIRYFSDVTKAWRRAFVYTPAGYDANTSQRYPVLYLQHGGGEDETGWPNQGKMDAIIDNLIAEGKAKPMIVVMDNGYAVDPSANSALEKVFINEIIPLVDKEFRTIADRDHRAMAGLSMGGFQAFQIAMTNLDKFAYVGGFSGGGIIGDFSKMYNNVWSDVDTFNKRVKLIYLSIGTAEPTNMYQTVNNFHKEFEKAGIKHVYY...
7B6B_1_k12
0
-2.5
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176
Q6DHI5
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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NELPPENAYRILESGPIVLVSTRGADGRANLMTMGFHMMMQHEPPLVGAIIGPWDYSHQALSETGECVLAVPTVDLAETVVDIGNCSGDALDKFGHFGLTPVPAQTVDAPLVRQCWANLECRVVDDGWARRYNLWVLEVQRIWIDTARKETRLIHHQGDGRFSVDGDTLDLGERMTKWRNELPPENAYRILESGPIVLVSTRGADGRANLMTMGFHMMMQHEPPLVGAIIGPWDYSHQALSETGECVLAVPTVDLAETVVDIGNCSGDALDKFGHFGLTPVPAQTVDAPLVRQCWANLECRVVDDGWARRYNLWVLEVQR...
3E4V_4_k12
0
-2.5
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753
P55915
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGIATPKGSSLGTPVNLAVLKLSEQGVLDKLKNKWWYDKGECGA
3PMW_2_k12
0
-3
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4684
P0DTC1
[ClH0][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][Branch2]
Oc1ccc(Cl)cc1
KdEdKdNaAlAlEqIfRqQvQvFfAfMdTdAaGdSqPpIwIaVfNdDpKlLfEaRfYaAaEpVcRlTaAlFcTrHpPpTvSqFqFwKfPaNaYpKvGrEdViKdPgWlFlLvSlAlYvDvEvKlVvRvQqIlEvNvGqEaNqGwPfKpMhKhAhKpNgVsGvElAsRvAvGlRvAvLlElAvAvGlWqTvLqDpIaNpYpGwNvIaYaPaNcRdFdFlMfLnWqSdGcEcTpMpTpNvTcQvLvWcAvPvVvGvLlDlRpRdPaPfDpTdTqDpPqVlEvLvTlNlYvVlKvFvAlAlRvMvAlGqAfDlLdVkGfVkAf...
KEKNAAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGEVKPWFLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGNIYPNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAGADLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIETDDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMFDMWLCQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNVRLTKVFTNMPLVPDKPID...
5M8W_2_k12
2
-5.3
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832718
Q6PJP8
[NH0][Branch1][C][H][Branch1][=N][CH2][CH0][=CH1][CH1][=CH0][Branch1][C][FH0][CH1][=CH1][Ring1][#Branch1][CH2][C@@H1][OH0][CH2][CH2][CH2][Ring1][Branch1]
Fc1ccc(CNC[C@H]2CCCO2)cc1
TdCdPdFpYlKqKdIdPpGqTaGlFeTgVeDlApFqQqYpGpVdVdEpGsChTqAeYyFeLyTqHaFpHdScDsHsYvApGnLdSaKqHpFdTdFhPaVyYeCfSaEqIlTrGlNlLcLcKcNpKpLrHnVhQdEpQvYrIyHhPhLdPdLaDlTdEfCdIdVdNpGrVwKtVkVhLwLhDdAqNlHfCfPfGrAgVtMwImLwFtYqLhPpNvGrTaViIeLiHeTsGpDfFhRaAfDdPpSvMvEcRvSgLvLlAvDpQdKaVhHaMeLyYaLdDaTcTvYaCqSdPqElYqTdFdPdSaQlQvEvVlIlRvFlAlIq...
TCPFYKKIPGTGFTVDAFQYGVVEGCTAYFLTHFHSDHYAGLSKHFTFPVYCSEITGNLLKNKLHVQEQYIHPLPLDTECIVNGVKVVLLDANHCPGAVMILFYLPNGTVILHTGDFRADPSMERSLLADQKVHMLYLDTTYCSPEYTFPSQQEVIRFAINTAFEAVTLNPHALVVCGTYSIGKEKVFLAIADVLGSKVGMSQEKYKTLQCLNIPEINSLITTDMCSSLVHLLPMMQINFKGLQSHLKKCGGKYNQILAFRPTGWTHSNKFTRIADVIPQTKGNISIYGIPYSEHSSYLEMKRFVQWLKPQKIIPTVNVG...
5Q1V_1_k12
0
-4.6
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284
P00760
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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6FGE_1_k12
0
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996
P0DSE2
[CH0][Branch1][Ring1][OH0][H][=CH1][CH1][=CH1][CH1][=CH1][Ring1][Branch2]
Oc1ccccc1
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GIVEQCCHSICSLYQVENYCNFVNQHLCGSHLVEALYLVCGERGFFYTPKA
3GKY_1_k12
0
-4
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s710
P0A2K1
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][S][CH2][N+1][Branch1][C][H][=CH0][Branch1][C][CH3][CH0][=Branch1][C][=OH0][OH0][H][CH0][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][#Branch2]
CC(=[NH+]CC1=C(O)C(C)NC=C1COP(=O)(O)O)C(=O)O
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7KQ9_4_k12
1
-9.8
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753
Q07820
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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4B1J_1_k12
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174
P11838
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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2YM7_1_k12
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s119
P00551
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1QAN_2_k12
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s659
Q9F7P4
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8OK0_4_k12
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P04578
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