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
s703
Q16539
[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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ALKVGFWPAYSVSEFPPSKINSRLFTHLYYAFAELNAPTFEVRVPPGSEKTAEDFTPTVRRLNPSVKTLISIGGGGSEVRDNFAKLNSDASARQRFVKSSIALARRYGFHGLDLDYEYPEPQLEMENFVKLVSELTAAIREEARTSGKPRLLLTEAVYFHQKLFPWEVVTEYPVQFIAAGLDWVNVMAYDFHGSWENFTGAPAALRDSKFTASVGIESFLAAGMPPEKLVLGIPLFGRSWLLKNNNEVGIGAPAVGAGPVDGALSFSEIQNFIRGGAREVFDTTTVSAYAYKDNVWVGYDNQQSVALKVQYAKEKRLGGY...
4MNK_1_k12
2
-5
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s400
W7JWW5
[CH1][=CH1][CH0][=CH0][Branch2][Ring2][Ring1][CH1][=CH0][Ring1][=Branch1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][C@@H1][CH0][=CH0][Branch1][#Branch1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][OH0][C@@][Branch1][C][CH3][Branch1][C][CH3][CH2][Ring1][N][C@H1][Branch2][Ring1][N][NH0][CH0][=Branch1][C][=OH0][CH2][C@@][Bra...
CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@H]4CC(C)(C)Oc5ccccc54)cc32)C(N)N1
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AHAVVEQTEENVFLIPLKHLRDSQFVGTLLVGVPPQEIHPIFDTGSTNLWVVTTDCEEESCKKVKRYNPYKSKTFRRSFIGKNLHIVFGSGSISGSIGKETFVLGDHTVRNQTFGLVESESNNIFDYIDFEGIVGLGFPEMLSAGKVSFFDNLLSQNKNLSPQFSFYISPEDNTSTFLVGGVSKSFYEGSIYMLPVVKEYYWEVELDGIYVGEKKICCEEKSYAIFDTGTSYNTMPSAQMKGFFDVVPSAPCTEENYQEVLKNYPVIKYLFGDLVIELLPEEYMILNEESCIPAYMQIDVPSEKNHAYLLGSIAFMRHYY...
7TBD_2_k12
1
-11.7
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s410
P05979
[CH0][=CH1][NH0][Branch1][C][H][CH1][=CH1][CH1][Ring1][#Branch1][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH1][=CH1][Ring1][=C]
NC1=CC=CC2=CNC=CC12
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HHHHHHMRKIYIAGPAVFNPDMGASYYNKVRELLKKENVMPLIPTDNEATEALDIRQKNIQMIKDCDAVIADLSPFRGHEPDCGTAFEVGCAAALNKMVLTFTSDRRNMREKYGSGVDKDNLRVEGFGLPFNLMLYDGVEVFDSFESAFKYFLANFPSHHHHHHMRKIYIAGPAVFNPDMGASYYNKVRELLKKENVMPLIPTDNEATEALDIRQKNIQMIKDCDAVIADLSPFRGHEPDCGTAFEVGCAAALNKMVLTFTSDRRNMREKYGSGVDKDNLRVEGFGLPFNLMLYDGVEVFDSFESAFKYFLANFPS
2F2T_2_k12
2
-6.6
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8172
P11838
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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5RCI_4_k12
0
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60058229
P29473
[CH0][=Branch1][C][=OH0][CH1][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][CH1][Branch1][Ring1][OH0][H][C@@H1][Branch1][=Branch1][NH0][Branch1][C][CH3][CH3][C@@H1][CH2][C@@H1][CH2][CH0][=CH0][Branch1][=Branch1][NH0][Branch1][C][CH3][CH3][CH1][=CH1][CH0][Branch1][Ring1][OH0][H][=CH0][Ring1][O]...
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3V3N_2_k12
1
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176
P42556
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3LJW_1_k12
0
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176
Q12866
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3TQD_1_k12
0
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92209654
O81395
[C@@H1][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch2][Ring1][Branch1][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][Branch1][C][FH0][=CH1][Ring1][#Branch2][CH2][C@@H1][Ring2][Ring1][=Branch1][OH0][H]
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)cc1F
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6PFG_2_k12
1
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s45
P00749
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CC1=C(O)C(C)NC=C1COP(=O)(O)O
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QISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQGAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDLGGYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSTNFDAFPDKVAIQLNDTHPSLAIP...
1P2D_1_k12
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96367592
P18895
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7ACG_1_k12
0
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439353
P00178
[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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3TTY_1_k12
2
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5288845
Q4L4Y7
[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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2BHB_2_k12
0
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17208
P15379
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CC[N+](CC)(CC)Cc1ccccc1
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8H4P_1_k12
2
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s647
P14273
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CC1=CC(O)Nc2sc(C(=O)c3ccccc3)c(N)c21
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5HS3_2_k12
1
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284
P20092
[CH1][=Branch1][C][=OH0][OH0][H]
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3F5B_1_k12
0
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s638
P21730
[CH1][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Branch1][C][H][CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][=CH0][Branch2][Ring2][Branch1][CH2][NH0][Branch1][P][CH2][CH0][=CH1][CH1][=CH0][CH0][=Branch1][Ring2][=CH1][Ring1][=Branch1][OH0][CH2][OH0][Ring1][=Bra...
CCCCN1C(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)=C(c2ccccc2)NC1c1ccccc1
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NTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLACLALPALFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPAWCQRFRGAGLAWILCAVAWGLALLLTIPSALYRVVREEYFPPKVLCGVDHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSARETRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQKSLPELLREVLTEESVVRNTLRVPDILALVIFAVVFLVGVLGNA...
5O9H_2_k12
1
-8.4
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8866783
P9WQ81
[CH1][=CH1][CH0][Branch2][Ring1][#Branch2][NH0][CH2][CH2][NH0][Branch1][S][CH0][=Branch1][C][=OH0][CH0][=CH1][CH0][Branch1][C][ClH0][=CH1][CH1][=CH1][Ring1][#Branch1][CH2][CH2][Ring1][#C][=CH1][CH1][=CH0][Ring2][Ring1][Branch1][CH0][Branch1][C][CH3][=OH0]
CC(=O)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
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LTPEQIIAVDGAHLWHPYSSIGREAVSPVVAVAAHGAWLTLIRDGQPIEVLDAMSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGLDTVFFSDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDPHGGMHSLWTDVLAAQVFAPQVPRDYDPAYSAAFEAQLAQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIATGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISAGAAGALMHGPTFMANPLACA...
4W1X_3_k12
1
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702
Q27701
[CH2][Branch1][C][CH3][OH0][H]
CCO
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4X6K_1_k12
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s590
D3QY10
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][CH0][=Branch2][Ring1][Ring2][=CH0][Ring1][Branch2][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH1][CH0][Branch1][Ring1][OH0][H][=CH1][Ring1][Branch2][CH1][=CH0][Branch1][Ring1][OH0][CH3][CH0][Branch1][Ring1][OH0][CH3][=CH1][Ring2][Ring1][Branch1]
COC1=CC2=C(Nc3cccc(O)c3)NCNC2C=C1OC
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3NYV_1_k12
1
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753
Q9BZX2
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdEfPaFaLeIeGeVeSaGeGaTaAlSlGaKsSvSvVlCvAvKvIlVcQvLvLvGvQqNpDpYqRpQpKgQqVeVdIeLaSeQqDvSlFfYfRdVqLdTdSpEvQqKvAvKcAvLvKvGvQnFhNfFcDlHaPpDvArFgDdNvEvLvIlLlKvTqLlKvEvIlTrEvGqKqTkVdQwItPfVdYqDdFpVvSnHsShRtKdEpEdTtVdTiVhYgPrAhDnVyVyLyFyEyGyInLqAqFqYqSdQpEsVsRnDvLsFhQpMaKyLeFyVrDdTeDdApDvTvRsLvSvRsRvVlLcRcDcIcSvEvRpGnRdDdLnEv...
GEPFLIGVSGGTASGKSSVCAKIVQLLGQNDYRQKQVVILSQDSFYRVLTSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDILNGEPFLIGVSGGTASGKSSVCAKIVQLLGQNEVDYRQKQVVILSQDSFYRVLEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYP...
6N55_1_k12
0
-3
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s683
P00327
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][C][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][Ring2][NH0][CH2][CH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][=CH...
NC(=O)C1=CC=CN([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4CNC5=C(N)NCN[C@H]54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
SdTcAaGqKhVkIdKwCfKwAfAfVwLaWaEaEaKpKdPgFtSdItEdEiVkEiVfAgPhPeKaAaHqEkVwRkIwKqMfVfAkTfGkIdCdRvSvDqDvQcVcVnSnGcTqLqVdTaPdLpPrVeIlAdGtHqEqAgAkGtIfVtEcSqIyGhEpGpVdTdTqVdRgPgGgDfKiVkIhPfLaFlTqPfQqCpGcKpCdRpVqCnKpHdPpEqGhNaFnCdLpKlNwDcLrSpMpPhRlGqTdMaQsDvGsTaSaRrFiTaCdRpGnKhPgIgHgHyFhLsGqTpSsTnFrSiQsYmTdVmVgDgEnIrSgVmAaKgIa...
STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDQVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFG...
8G2L_2_k12
1
-11.1
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174
P36897
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
GdGdTqIpApRvTqIkVaLfQdEdSwIdGaKdGdRpFfGfEtVwWtRwGiKaWhRpGnEdEtVkAiVkKgIkFhSfSpRvEcEvRlSlWlFvRlEqAqEvIvYlQpTfVqMpLlRdHdEpNqIaLwGaFwIdAdAwDdNwKdDdNpGpTpWgTiQiLtWmLtViStDhYdHaEpHqGaSfLqFlDsYvLlNqRvYaTfVdTaVlElGlMlIlKqLaAlLlSsTnAlSvGqLlAvHsLlHqMdEwIaVdGdTpQsGiKgPfArIkAfHqRqDaLdKaSrKnNqIwLtVaKhKpNvGsTyCiChIgAhDdLrGsLqAmVwRt...
GGTIARTIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLSQQ
5FRI_1_k12
0
-2
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5LGE_4_k12
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174
P46849
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10267
Q8I5R7
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O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O
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5SCL_1_k12
1
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s65
P0AB91
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NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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SGDSDFVVVANRLPIDLERTTSWKRSPGGLVTALEPLLRRRRGAWIGWPGIPDSDEDPIVDGDLVLYPVRLSADDVAQYYEGFSNATLWPLYHDVIVKPIYNRQWWERYVEVNRRFAEATSRAAARGATVWVQDYQLQLVPKMLRELRPDLTIGFFLHIPFPPVELFMQLPWRTEITDGLLGADLVGFHLPGGAQNFLFLARRLVGANTSRASVGVRSKFGEVQIGSRTVKVGAFPISIDSADLDRQARQRSIRQRARQIRAELGNPRRILLGVDRLDYTKGIDVRLQAFAELLAEGRVNREDTVFVQLATPSRERVEAY...
5JIO_3_k12
1
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439357
P16442
[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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3SX7_1_k12
2
-5.3
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s45
Q8DV70
[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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ISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQGAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNLKDFNVGGYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFGCRDPVRTNFDAFPDK...
1FTQ_2_k12
2
-6.9
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174
P15121
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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PSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHAHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL
5XLV_1_k12
0
-2.5
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446877
Q9JJX7
[CH4].[OH1][H].[CH4].[SH1][H]
C.C.O.S
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224L_1_k12
0
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1567
P26664
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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2OBO_2_k12
0
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444205
P27907
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH3][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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1NSC_2_k12
0
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174
P00338
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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54294271
Q07011
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7O8S_2_k12
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s48
Q9I685
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12000813
O59896
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s13
P0C0Y9
[C@@H1][Branch2][Ring1][Ring1][CH2][SH0][CH2][CH2][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=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][Ring1][#C][C@H...
NC1=C2NCN([C@@H]3O[C@@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)C2NCN1
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GSAEKRKPIRVLSLFDGIATGLLVLKDLGIQVDRYIASEVCEDSITVGMVRHQGKIMYVGDVRSVTQKHIQEWGPFDLVIGGSPCNDLSIVNPARKGLYEGTGRLFFEFYRLLHDARPKEGDDRPFFWLFENVVAMGVSDKRDISRFLESNPVMIDAKEVSAAHRARYFWGNLPGMNRPLASTVNDKLELQECLEHGRIAKFSKVRTDQHFPVFMNEKEDILWCTEMERVFGFPVHYTDVSAMSHLARQRLLGRSWSVPVIRHLFAPLKEYFACV
8TE4_2_k12
1
-8.5
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174
Q9Y233
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SCRCEKDEGPFYTHLGAGPNVAAIREIMEERFGQKGKAIRIERVIYTGKEGKSSQGCPIAKWVVRRSSSEEKLLCLVRERAGHTCEAAVIVILILVWEGIPLSLADKLYSELTETLRKYGTLTNRRCALNEERTCACQGLDPETCGASFSFGCSWSMYYNGCKFARSKIPRKFKLLGDDPKEEEKLESHLQNLSTLMAPTYKKLAPDAYNNQIEYEHRAPECRLGLKEGRPFSGVTACLDFCAHAHRDLHNMQNGSTLVCTLTREDNREFGGKPEDEQLHVLPLYKVSDVDEFGSVEAQEEKKRSGAIQVLSSFRRKVRM...
7NE6_2_k12
0
-2.5
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53932567
P02945
[C@H1][Branch2][Ring1][#C][CH2][OH0][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@@H1][Branch1][C][CH3][CH3][Branch2][Ring1][=C][OH0][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][C...
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
IdTvGvRdPlElWlIvWlLlAvLvGlTlAvLlMlGvLvGlTlLvYvFlLvVvKvGcMpGpVdSdDfPpDlAlKvKlFlYsAvIlTqTsLvVlPsAvIlAsFnTvMlYsLvScMvLnLvGpYnGqLwTdMfVaPaFaGpGnEdQtNfPiIdYrWlAsRvYlAvDsWqLlFpTnTvPlLsLlLvLvDsLlAcLvLlVlDvAhDdQpGvTvIsLvAlLlVnGvAlDsGnIlMlIsGvTlGlLsVvGlAlLrTdKhVyYqSvYvRsFvVvWsWlAvIsSsTvAvAsMvLvYvInLlYcVcLlFpFvGpFrTlSvKsAlEvSpMd...
ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
5H2I_7_k12
2
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s657
P31224
[CH1][Branch1][=N][CH1][CH1][=CH1][CH1][=CH0][Branch1][C][CH3][NH0][Ring1][#Branch1][H][NH0][Branch1][C][H][CH0][Branch1][S][NH0][Branch1][C][H][CH0][=CH1][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1][=CH0][CH1][=CH1][CH1][=CH1][CH1][Ring1][=Branch1][NH0][Ring2][Ring1][N][H]
CC1=CC=CC(C2NC(NC3=CCNC=C3)=C3C=CC=CC3N2)N1
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IARTIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLSQQ
3HMM_1_k12
1
-10.5
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174
P51553
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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2CJ0_1_k12
0
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s817
Q4KM65
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COC(=O)CNC(=O)C1C=C(C)ON1
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5R65_2_k12
2
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445395
Q02127
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Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2
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6VND_2_k12
1
-12.2
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439492
P15121
[CH0][=Branch1][C][=OH0][OH0][C@H1][Branch2][Ring1][#Branch1][CH0][=Branch2][Ring1][C][=CH1][C@H1][CH2][C@@H1][Branch1][Ring1][OH0][CH3][C@H1][Branch1][Ring1][OH0][H][CH2][CH2][Ring1][#Branch2][CH3][C@H1][Branch1][C][CH3][C@@H1][Branch1][Ring1][OH0][H][CH2][CH0][=Branch1][C][=OH0][C@H1][Branch1][Ring2][CH2][CH1][=CH2][...
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5D75_2_k12
1
-8.4
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s150
P28720
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1SA0_2_k12
1
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176
P0DTC1
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7QTH_2_k12
0
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445395
Q96VH4
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4BN6_2_k12
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439352
P9WP25
[C@H1][Branch1][Ring2][CH2][SH0][H][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][CH2][SH0][H]
O[C@H](CS)[C@@H](O)CS
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FDVAARLGTLLTAMVTPFSGDGSLDTATAARLANHLVDQGCDGLVVSGTTGESPTTTDGEKIELLRAVLEAVGDRARVIAGAGTYDTAHSIRLAKACAAEGAHGLLVVTPYYSKPPQRGLQAHFTAVADATELPMLLYDIPGRSAVPIEPDTIRALASHPNIVGVKDAKADLHSGAQIMADTGLAYYSGDDALNLPWLAMGATGFISVIAHLAAGQLRELLSAFGSGDIATARKINIAVAPLCNAMSRLGGVTLSKAGLRLQGIDVGDPRLPQVAATPEQIDALAADMRAASVLR
1XXX_1_k12
0
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s734
Q92Z29
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NCC1=CC[C@@H](N)[C@H](O)O1
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5C4L_1_k12
0
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444205
P0A988
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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4WE6_1_k12
0
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444205
Q9H7B4
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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6XSW_1_k12
0
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s98
A2SXS5
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CC1=C(O)C(C)NC=C1COP(=O)(O)O
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3UZB_1_k12
1
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s707
P15121
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O=c1[nH]c2c(c(=O)[nH]1)C=C1C=CC(O)=CC1N2CCO
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MIIFSGGTGTPKLLDGLKEILPEEELTVVVNTAEDLWVSGNLISPDLDTVLYLFSDQIDRKRWWGIENDTFGTYERMKELGIEEGLKLGDRDRATHIIRSNIIRDGASLTDSTVKLSSLFGIKANILPMSDDPVSTYIETAEGIMHFQDFWIGKRGEPDVRGVDIRGVSEASISPKVLEAFEKEENILIGPSNPITSIGPIISLPGMRELLKKKKVVAVSPIIGNAPVSGPAGKLMPACGIEVSSMGVAEYYQDFLDVFVFDERDRADEFAFERLGCHASRADTLMTSTEKSKELAEIVVQAFLEH
3C3D_1_k12
1
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159664
O43293
[CH0][=Branch1][C][=OH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH3]
CCCCC(=O)C(=O)O
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MHIERLAVDESVGRAMPPQRFIEALSDLGVPVEFAGEDEQFGPGDAVASFGHRDAFLDADWVHCIRAGYDEFPVGVYEEAGTYLTNSTGIHGTTVGETVAGYMLTFARRLHAYRDAQHDHAWDLPRYEEPFTLAGERVCVVGLGTLGRGVVDRAAALGMEVVGVRRSGDPVDNVSTVYTPDRLHEAIADARFVVLATPLTDETEGMVAAPEFETMREDASLVNVARGPVVVESDLVAALDSGDIAGAALDVFSEEPLPEDSPLWDFEDVLITPHVSAATSKYHEDVAALIRENIEKIATGDELTNRVV
5MHA_2_k12
2
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174
A7UX13
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7VWD_3_k12
0
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8117
Q00684
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6G85_2_k12
0
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867
P25006
[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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2BW4_2_k12
0
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s70
P00968
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TVPVALVTGAAKRLGRSIAEGLHAEGYAVCLHYHRSAAEANALSATLNARRPNSAITVQADLSNVATAPVSSAPVTLFTRCAELVAACYTHWGRCDVLVNNASSFYPTPLLREAMETATADLFGSNAIAPYFLIKAFAHRVAGTPAKHRGTNYSIINMVDAMTNQPLLGYTIYTMAKGALEGLTRSAALELAPLQIRVNGVGPGLSVLVDDMPPAVWEGHRSKVPLYQRDSSAAEVSDVVIFLCSSKAKYITGTCVKVDGGYSLTRA
1E7W_1_k12
1
-11.3
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B2VBI7
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1E4E_1_k12
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90207
P97438
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193910
Q9KEI9
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174
Q6DHI5
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6FKY_1_k12
0
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679
P29476
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7XNC_2_k12
0
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174
Q43725
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3N2A_1_k12
0
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447491
P02945
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COc1cc(-c2ccccc2)c(O)c(-c2cc3cc(C(N)=[NH2+])ccc3[nH]2)c1
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1O2T_1_k12
1
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284
Q07889
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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6CUR_1_k12
0
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s910
Q58993
[C@@H1][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][C@@H1][Branch1][P][NH0][CH2][CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH1][=CH1][Ring1][#Branch2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][Branch2][OH0][H]
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6PU6_1_k12
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5288834
Q939D2
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5KSF_1_k12
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155491005
Q8IU60
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COc1cc2c(cc1C1=CCN(C)CCC1)NC(N)C21CCC1
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7DCF_1_k12
1
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53361961
C7C422
[NH0][Branch2][Ring1][C][CH0][=Branch1][C][=OH0][CH2][CH0][=CH1][CH1][=CH1][CH0][Branch1][Ring1][OH0][CH3][=CH1][Ring1][Branch2][Branch1][C][H][NH0][Branch1][C][H][CH2][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][Branch2]
COc1cccc(CC(=O)NNCc2ccc(O)cc2)c1
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SVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEE...
3OVV_2_k12
1
-8.8
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4369456
P11309
[C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][#C][NH0][Branch1][O][CH0][=Branch1][C][=OH0][CH2][NH0][Branch1][C][H][H][H][OH0][C@@H1][Ring1][P][CH2][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H]
NCC(=O)N[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1O
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ARVAVLISGTGSNLQALIDSTREPNSSAQIDIVISNKAAVAGLDKAERAGIPTRVINHKLYKNRVEFDSAIDLVLEEFSIDIVCLAGFMRILSGPFVQKWNGKMLNIHPSLLPSFKGSNAHEQALETGVTVTGCTVHFVAEDVDAGQIILQEAVPVKRGDTVATLSERVKLAEHKIFPAALQLVASGTVQLGENGKICWV
8FJV_2_k12
1
-7.1
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s512
P42556
[NH0][Branch1][C][H][Branch2][Ring2][Branch1][CH2][CH0][=CH1][NH0][Branch1][C][H][CH0][=CH0][Branch1][Branch1][NH0][Ring1][#Branch1][H][CH1][Branch1][Ring1][OH0][H][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Ring1][=C][H][CH0][=CH1][CH1][=CH0][Branch2][Ring1][O][CH0][Branch2][Ring1][=Branch...
NC1NC2=C(NC(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN2)C(O)N1
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EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKERSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTPLVGKTVETQVAELIGTNAIAPFLLTMSFAQRQSNLSIVNLCDAMVDQPCMAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKDKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3BMC_2_k12
1
-9.3
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160024
P15121
[NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][C@@][Ring1][=Branch2][CH2][C@@H1][Branch1][#Branch2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][H][OH0][CH0][=CH1][CH1][=CH0][Branch1][C][FH0][CH1][=CH0][Ring1][S][Ring1][#Branch1]
NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
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ASRILLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHIYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
2PD9_2_k12
1
-8.8
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s627
O00560
[CH0][=CH0][Branch1][Branch2][CH0][=Branch1][C][=OH0][OH0][CH2][CH3][NH0][Branch1][C][H][NH1][NH0][Ring1][O][CH1][CH0][=Branch2][Ring1][=Branch2][=CH0][Branch1][P][SH0][C@@H1][Branch1][Branch2][CH0][=Branch1][C][=OH0][OH0][CH2][CH3][CH0][=Branch1][C][=OH0][CH3][NH0][Ring2][Ring1][=Branch2][H][CH1][=CH1][CH1][=CH1][Ring...
CCOC(=O)C1=C2NC(S[C@H](C(C)=O)C(=O)OCC)=C3C=CC=CC3N2NN1
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MSELEKAVVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDSDGDGECDFQEFMAFVAMITTACHEFFE
3GK4_1_k12
2
-5.6
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679
P00720
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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DPEVTLLLQCPGGGLPQEQIQAELSPAHDRRPLPGGDEAITAIWETRLKAQPWLFDAPKFRLHSATLAPIGSRGPQLLLRLGLTSYRDFLGTNWSSSAAWLRQQGATDWGDTQAYLADPLGVGAALATADDFLVFLRRSRQVAEAPGLVDVPGGHPEPQDLAGQLVVHELFSSVLQEICDEVNLPLLTLSQPLLLGIARNETSAGRASAEFYVQCSLTSEQVRKHYLSGGPEAHESTGIFFVETQNVRRLPETEMWAELCPSAKGAIILYNRVQGSPTGAALGSPALLPPL
5R5C_1_k12
0
-1.8
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71819699
P96801
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH0][Branch2][Ring1][Branch1][CH2][CH2][CH0][=CH1][CH1][=CH0][Branch1][=Branch2][C@@][Branch1][C][CH3][Branch1][C][CH3][CH3][CH1][=CH1][Ring1][#Branch2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Ring2][Ring1][=Branch2][H]
CC(C)(C)c1ccc(CCc2c(C(=O)O)[nH]c(=O)[nH]c2=O)cc1
MdCaLqKwLdNaLpLpDnHfViFfArNhPqFeMeNaAdAaGpVpLqCaSaTdEpEvDsLvRvCqMrTlApSfSnSgGrAeLyVeShKhSaCaTfSqAaPaRdDqGfNdPdEpPpRaYwMdAaFdPvLfGfSiIfNgSrMrGrLrPhNhLgGhFlDvFvYvLlKcYcAlSqDpLnHdDdYvSvKrKhPaLyFeLySeIySqGyLqSaVlEvErNvVlAvMsVlRlRvLcAqPvVsAcQvEvKrGvVhLaLyEeLyNeLqSqCrPdNyVpPpGvKdPhQgVqAlYvDpFlEvAsMvRlTvYsLlQvQsVsScLvAsYnGvLa...
MCLKLNLLDHVFANPFMNAAGVLCSTEEDLRCMTASSSGALVSKSCTSAPRDGNPEPRYMAFPLGSINSMGLPNLGFDFYLKYASDLHDYSKKPLFLSISGLSVEENVAMVRRLAPVAQEKGVLLELNLSCPNVPGKPQVAYDFEAMRTYLQQVSLAYGLPFGVKMPPYFDIAHFDTAAAVLNEFPLVKFVTCVNSVGNGLVIDAESESVVIKPKQGFGGLGGKYILPTALANVNAFYRRCPDKLVFGCGGVYSGEDAFLHILAGASMVQVGTALQEEGPGIFTRLEDELLEIMARKGYRTLEEFRGRVKTIE
3W22_3_k12
1
-8.2
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s714
Q57IS0
[NH0][Branch1][=N][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH1][Ring1][Branch2][CH2][NH0][Branch1][C][H][CH0][=CH0][Ring1][=C][CH1][=CH0][Branch1][P][CH1][NH0][Branch1][C][H][NH0][Branch1][C][H][CH0][=Branch1][C][=SH0][OH0][Ring1][Branch2][CH1][=CH1][Ring1][=C]
COc1ccc(N2CNc3ccc(C4NNC(=S)O4)cc32)cc1
SdKdVwTdTwVdVwAwTaPfGlQaGdPpDrRdPtQdEtVwSiYwTdDpTwKdVwIdGdNdGdSpFqGgVtVkYiQwAiKaLtCvDpSpGrEaLiVkAiIkKrKkVhLdQdDdKpRpFdKdNaRpElLsQvIvMqRsKvLdDdHdCqNqIaVwRhLqRgYiFwFdYqSdSpVnYiLiNiLtViLtDhYdVfPpEfTwVqYvRvVvAlRvHvYqSlRvAvKvQhTaLdPdVlIvYlVlKlLlYqMlYlQsLlFlRlSvLqAlYqIvHvSlFqGqIkCaHqRqDaIdKdPrQrNqLwLgLaDrPpDvTqAsVrLtKhLgCdDd...
SKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNF...
3F88_1_k12
1
-9
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8117
Q99289
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
TdTkFkVfAfLcYaDfYdEdSdWdIdElTqDaLdStFdKhKgGgEfRiLwQaIfVpGvNqWwWtLfAtHaSgVpTvTvGrRdTtGhYiIdPgSvNvYgViAdPhSdTdTkFkVfAfLcYaDfYdEdSdWpIdElTqDaLdStFdKhKgGgEfRiLwQaIfVpNdNdTpEpGdNqWwWtLfAiHaShVpTvTvGrRdTtGhYtIdPgSvNvYgViAdPd
TTFVALYDYESWIETDLSFKKGERLQIVGNWWLAHSVTTGRTGYIPSNYVAPSTTFVALYDYESWIETDLSFKKGERLQIVNNTEGNWWLAHSVTTGRTGYIPSNYVAP
7PVT_2_k12
0
-3
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174
P24941
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRTEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
3R1Y_1_k12
0
-2.3
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s580
P00396
[CH3][C@][C@@H1][Branch2][Ring1][Branch2][CH2][CH2][CH2][CH2][C@H1][Ring1][#Branch1][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@][Branch1][C][CH3][Branch1][C][CH3][OH0][H][CH0][=Branch2][Ring1][#Branch2][=CH1][CH1][=CH0][CH2][C@@H1][Branch1][Ring1][OH0][H][CH0][=Branch1][=Branch1][=CH1][CH2][CH2][OH0][H][C@H1][Branch1][Ri...
C[C@H](CCCC(C)(C)O)[C@@H]1CCCC[C@H]2C(=CC=C3C[C@@H](O)C(=CCCO)[C@H](O)C3)CCC[C@@]21C
MdLqSdDpEvQlMvQvIlIlNvSqLlVlEvAlHvHvKvTlYdDdDlSqYlSvDcFlVvRpFfRdPfPaVdRpRcLlSsMhLqPqHsLvAlDvLvVlSlYsSqIlQvKsVlIlGsFsAqKcMsIrPpGcFsRvDvLdTdApEqDqQvIlAqLlLlKlSqSqAsIvElIlIvMlLlRvSqNlQvSqFaSdLpEvDqMlSfWrShCnGhGdPpDsFpKtYdChIlNvDsVvTvKsAnGqHdTdLvEvLlLvEvPlLsVsKvFlQsVvGlLvKvKvLlKvLdHdEsEsEqHsVsLlLlMsAnIlClLrLlSqPlDpRtPpGdVh...
MLSDEQMQIINSLVEAHHKTYDDSYSDFVRFRPPVRRLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIALLKSSAIEIIMLRSNQSFSLEDMSWSCGGPDFKYCINDVTKAGHTLELLEPLVKFQVGLKKLKLHEEEHVLLMAICLLSPDRPGVQDHVRIEALQDRLCDVLQAYIRIQHPGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGSEV
8PZ6_1_k12
1
-13.4
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6503
P08536
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
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PAPHGGILQDLIARDALKKNELLSEAQSSDILVWNLTPRQLCDIELILNGGFSPLTGFLNENDYSSVVTDSRLADGTLWTIPITLDVDEAFANQIKPDTRIALFQDDEIPIAILTVQDVYKPNKTIEAERVFRGDPEHPAISYLFNVAGDYYVGGSLEAIQLPQHYDYPGLRKTPAQLRLEFQSRQWDRVVAFQTRNPMHRAHRELTVRAAREANAKVLIHPVVGLTKPGDIDHHTRVRVYQEIIKRYPNGIAFLSLLPLAMRMSGDREAVWHAIIRKNYGASHFIVGRDHAGPGKNSKGVDFYGPYDAQELVESYKHEL...
1G8G_2_k12
0
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s49
Q9UIQ6
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7X4P_1_k12
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8117
P28720
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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5UTJ_1_k12
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174
P12497
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3ZSX_3_k12
0
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679
Q14680
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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5MAF_1_k12
0
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155490977
P44797
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7MY5_1_k12
2
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753
P07711
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OCC(O)CO
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6JD8_2_k12
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679
Q00511
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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3FGD_2_k12
0
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444205
Q9Y233
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3WF3_1_k12
2
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7E48_2_k12
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64689
P23253
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1MS0_3_k12
2
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174
Q5C9L7
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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5ICF_2_k12
0
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444885
P41148
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CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O
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IEVLNLVTGPDSITTIELYLNTRMGQNDESKDNYGYSEKVTVANSSDQDKPTSGEIPTYSTARINLPMLNTLTMWEAVSVKTEVVGVSSLVNVHMATKRMYDDKGIGFPVEGMNFHMFAVGGEPLELQFLTGNYRTDYSANDKLVVPPIKHQSTQGLNPHYKQKLTKDGAFPVECWCPDPSKNENTRYYGSYTGGQSTPPVLQFTNTVTTVLLDENGVGPLCKGDGLYVSCCDIVGFLVGKDGDMQYRGLPRYFNILLRKRTVREVLNLVTGPDSITTIELYLNTRMGQNDESKDNYGYSEKVTVANSSDQDKPTSGEIP...
4U61_2_k12
2
-5.4
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3163396
Q13526
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3KAB_2_k12
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753
O43464
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OCC(O)CO
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4HMR_1_k12
0
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