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
444205
P11838
[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
GdSpQpGpEdRdEaTaWaGpKdKpVvDlFlLlLlSlVlIlGlYqAlVfDaLdGcNlVqWfRvFcPlYlIlCqAlQvNqGqGfGqAqFlLvLvPlYlTvIvMlAcIqFlGaGvIlPlLlFlYlMlElLlAlLlGlQqYqHpRlNfGaClIqSvIsWcRqKfIfCfPnIlFqKsGlIlGlYqAlIlCvIlIlAlFlYlIvAlSqYqYlNlTlIlMlAlWlAlLvYvYlLlIvSqSlFpTdDpQaLrPqWlTqSdCqKpNdSpWqNhTdGpNlCeTdNhYpFvSdEdDpNpIdTdWhTdLpHpShTdSyPsAlErEsFcYsTq...
GSQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICAQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIALSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNED...
5I6X_1_k12
0
-3.7
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176
Q9BY41
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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QIPPAYKDLAEPWIQVFGMELVGCLFSRNWNVREMALRRLSHDVSGALLLANSGDVVEACCSVLSMVCADPVYKVYVAALKTLRAMLVYTPCHSLAERIKLQRLLQPVVDTILVKCADANSRTSQLSISTLLELCKGQAGELAVGREIGSIGIGGVDYVLNCILGNQTESNNWQELLGRLCLIDRLLLEFPAEFYPHIVSTEPVEIRYKKLLSLLTFALQSIDNSHSMVGKLSRRIYLSSARMVTTVPHVFSKLLEMLSVSSSTHFTRMRRRLMAIADEVEIAE
6WHB_1_k12
0
-2.8
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679
P0DOX7
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFpPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSpEvDcMqLaNpPhNpYsEvDvLsLcIvRpKdSdNqHvNrFiLwViQgAaGpNnVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQiCwAtMqRfPnNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GF4_1_k12
0
-2
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6115
P00343
[CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch2]
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7BS7_2_k12
0
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162884050
Q6RUV5
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6JLO_3_k12
2
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s518
Q9LUW6
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2GXS_1_k12
2
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4PJI_2_k12
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444205
P06280
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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9AVS_3_k12
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82313
P36911
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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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7NWF_2_k12
0
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s1116
O60885
[NH0][Branch1][C][H][Branch2][Ring1][=Branch2][CH0][=CH1][CH1][=CH0][NH0][Branch1][Branch1][NH0][Ring1][=Branch1][H][CH1][Branch1][Ring1][CH2][CH3][NH0][Branch1][C][H][NH0][Ring1][#Branch2][H][C@H1][Branch1][Ring2][CH2][OH0][H][CH2][CH0][=CH1][NH0][Branch1][C][H][CH0][=CH0][Ring1][=Branch1][CH1][=CH1][CH1][=CH1][Ring1]...
CCC1NNC2=CC=C(N[C@H](CO)Cc3c[nH]c4ccccc34)NN21
NdPdPdPdPdEdTlSdNdPvNpKqPdKfRdQdTdNqQqLlQvYcLcLqRpVpVqLlKvTvLlWcKpHdQpFlAqWvPvFqQqQdPwVdDdAcVvKvLvNvLpPvDcYlYcKvIfIqKvTpPtMaDgMsGvTsIlKnKsRnLsEvNvNrYvYdWhNdApQvEvCsIvQvDrFlNvTsMnFlTvNsCqYcIrYvNdKhPpGpDdDpInVnLvMsAsEvAvLsEvKvLsFnLcQvKsIvNvEdLgPdTd
NPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPT
7YMG_2_k12
1
-7.8
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174
P03367
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
CdGlSqIeVdPeRcRvEnWlRvAfLdAdSfEpCfRdEaRwLaTpRpPpVfRaYeVeVeVeSfHaTlAqGaSaHaCdDqTaPpAvSrCvAsQvQlAlQnNvVqQqScYcHcVcRvNpLvGvWhCrDtVrGqYaNcFwLeIfGhElDvGlLhViYyEgGtRvGhWlNiItKfGgArHqAqGpPdTvWvNsPrIrSyIhGyIySyFyMyGhNaYaMqNpRhVePrPdPpRsAsLvRvAsAvQvNsLvLvAvCvGsVvAvLvGrAsLyRpSpNlYhEaVyKeGyHsRvDvVrQdPvTdLcStPpGhDpRrLhYnEvIvIvQcTp...
CGSIVPRREWRALASECRERLTRPVRYVVVSHTAGSHCDTPASCAQQAQNVQSYHVRNLGWCDVGYNFLIGEDGLVYEGRGWNIKGAHAGPTWNPISIGISFMGNYMNRVPPPRALRAAQNLLACGVALGALRSNYEVKGHRDVQPTLSPGDRLYEIIQTWSHYRA
7XFW_3_k12
0
-2.6
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444885
D3JV03
[C@][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Ring1][OH0][H][CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@H1][Branch1][=C][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][Ring2][Ring1][N]
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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RDFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWSSTSCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESECVCHNGVCPVVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECSCYGERAEITCTCRDNWQGSNRPVIRIDPVAMTHTSQYICSPVLTDNPRPNDPTVGKCNDPYPGNNNNGVKGFSYLDGVNTWLGRTISIASRSGYEMLKVPNALTDDKSKPTQGQTIVLNTD...
1MWE_3_k12
0
-4.6
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8117
A0A0B4J2H0
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5C6W_2_k12
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s718
Q5IS73
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1F4Z_3_k12
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s418
Q8Y8D7
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6DYW_1_k12
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6ARQ_1_k12
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6572510
P03300
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2WYZ_1_k12
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4L2G_1_k12
0
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25113134
Q15404
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5T64_2_k12
1
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s723
P15207
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7LAZ_1_k12
1
-9.9
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s752
P01008
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s498
Q02NN7
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753
Q833Y3
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DIYLPIANVARIMKNAIPQTGKIAKDAKECVQECVSEFISFITSEASERCHQEKRKTINGEDILFAMSTLGFDSYVEPLKLYLQKFRERVQELPLARIKKIMKLDEDVKMISAEAPVLFAKAAQIFITELTLRAWIHTEDNKRRTLQRNDIAMAITKFDQFDFLIDIVPR
4CSR_1_k12
0
-3.1
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753
Q71AW2
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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TINDDLEAINSELTSGGNVVHKTGDETIAGKKTFTGNVEVNGSLTLPTKSWSGELGGGIILSLRKKGTTVEYSIGGEISSSILANSNLVNRSVPNEFCPRNRCSLVGHMVGGWNAFHIDIPSSGVCQWFGPTASSGTPRGTGTYPIDTINDDLEAINSELTSGGNVVHKTGDETIAGKKTFTGNVEVNGSLTLPTKSWSGELGGGIILSLRKKGTTVEYSIGGEISSSILANSNLVNRSVPNEFCPRNRCSLVGHMVGGWNAFHIDIPSSGVCQWFGPTASSGTPRGTGTYPID
2F0C_1_k12
0
-3.2
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64960
P30376
[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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DPNAQLTTAQLQTYGDLSMMEIYRNYHYAFTQQLMGCWNTTNYGGRHTLDNNEMSRIWTSFYTQSLKNIIDAQYRTAEDAEKVNINSVLRIYRVYLMSIITDTYGDAPFSEAGLNPKYDKQEDIYNAFFLELEDAVNKIDPTKDKVTGDLIYAGDVTKWQQLANSLRLRFAMRISSVNPTKAQTEFENALAANGGVITDASSDALIKYMTIAFSFGQEAYSDYRGNSLSQLLFGNDPANNPSYLCSTFFNQLYNSGDPRTFKISRCYYDGLMSATSPDNRVDITQEMIEKGIAFSPRDPGAYSWEPWPTGYDSDICAELA...
6DMF_1_k12
0
-4.1
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445318
G0S7B6
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5JJN_2_k12
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444205
T2KPL4
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3SDF_1_k12
0
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753
P51082
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2DGD_1_k12
0
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s325
Q9H930
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OS(O)(O)CCN1C=COCC1
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5PYV_1_k12
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176
P12497
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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4CEC_2_k12
0
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3776
O75469
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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7AX9_1_k12
0
-2.5
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753
P95629
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5SX4_1_k12
0
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753
Q9L9F3
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5MGZ_3_k12
0
-4
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753
P56431
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6FCR_4_k12
0
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79025
Q86Z14
[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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5VAN_1_k12
0
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753
Q12657
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4DAB_2_k12
0
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753
P12758
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GSGSPLAQQIKNIHSFIHQAKAAGRMDEVRTLQENLHQLMHEYFQQSD
3V1B_1_k12
0
-2.7
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90655273
P30656
[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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TTTLAFRFQGGIIVAVDSRATAGNWVASQTVKKVIEINPFLLGTMAGGAADCQFWETWLGSQCRLHELREKERISVAAASKILSNLVYQYKGAGLSMGTMICGYTRKEGPTIYYVDSDGTRLKGDIFCVGSGQTFAYGVLDSNYKWDLSVEDALYLGKRSILAAAHRDAYSGGSVNLYHVTEDGWIYHGNHDVGELFWKVKEEEGSFNNVIG
3MG8_1_k12
2
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s582
P9WKD3
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NCCN1CC(C(=O)NCc2ccccc2)=C(c2ccc(Cl)c(Cl)c2)N1
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6S66_2_k12
1
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107758
B3PC73
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O=P(O)(O)O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O
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LRRDPNLPVHIRGWLHKQDSSGLRLWKRRWFVLSGHCLFYYKDSREESVLGSVLLPSYNIRPDGPGAPRGRRFTFTAEHPGMRTYVLAADTLEDLRGWLRALGRASR
1UPR_1_k12
2
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174
791543
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6CCV_1_k12
0
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447944
P15555
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CC1(C)S[C@@H]2[C@H](NC(=O)CCCC[C@H](NC(=O)CN)C(=O)O)C(=O)N2[C@H]1C(=O)O
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1PW1_1_k12
1
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3777159
P18031
[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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5QG7_1_k12
0
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s627
P43912
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7TUO_1_k12
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171395329
P21730
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2O9D_1_k12
0
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679
Q92974
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7G94_2_k12
0
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446875
P0DUM6
[CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][Ring1][N]
O[C@H]1[C@H](O)COC[C@@H]1O
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1R87_1_k12
2
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753
P80147
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6CKM_1_k12
0
-2.9
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3CRV_3_k12
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68301145
P12972
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8CUH_1_k12
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76935
P24146
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1HQL_1_k12
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356
P02945
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
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1BRR_4_k12
0
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10442
Q47PU3
[CH2][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
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5OK0_1_k12
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17472
P0DOX7
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8172
P34971
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O15357
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92332561
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12000813
Q08011
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4UNX_3_k12
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P00693
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2QPU_2_k12
1
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Q739M9
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4JH3_1_k12
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s990
P03367
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5HRR_3_k12
2
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6912
P0AEP7
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5IAI_2_k12
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4NJO_4_k12
0
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8172
P07949
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6ABS_2_k12
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s74
Q47PU3
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2YLX_3_k12
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s598
Q3L887
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CC1C=C(O)N(O)C(Cc2ccc(O)cc2)=C1
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4I3K_2_k12
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176
P00742
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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6A2F_1_k12
0
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s37
P00390
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3TMZ_2_k12
1
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s715
P0A988
[C@H1][Branch1][#Branch1][CH2][NH0][Branch1][C][H][H][Branch2][Ring1][Ring2][CH2][CH0][=CH1][CH1][=CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH1][=CH1][Ring1][N][NH0][Branch1][P][CH0][=Branch1][C][=OH0][C@@H1][CH2][C@@H1][Branch1][Ring1][OH0][H][CH2][NH0][Ring1][#Branch1][H][H]
NC[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]1C[C@@H](O)CN1
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6RN6_1_k12
1
-7.5
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8891387
P17597
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6R9H_2_k12
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6255
O54983
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7VU1_3_k12
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753
P13513
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6U3W_1_k12
0
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0
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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]
[0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
s599
Q9UJ70
[CH1][=CH1][CH0][Branch2][Ring2][=C][NH0][Branch2][Ring2][=Branch2][CH0][Branch2][Ring2][Ring2][NH0][Branch1][C][H][C@H1][CH1][=CH0][Branch1][=Branch2][C@@][Branch1][C][CH3][Branch1][C][CH3][CH3][NH0][Branch1][C][H][NH0][Ring1][#Branch2][CH0][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch1][=OH0][H][=CH1][...
Cc1ccc(N2NC(C(C)(C)C)=C[C@@H]2NC(=O)Nc2cccc(NC3=C4CC(N)=CC=C4NCN3)c2)cc1
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ERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLAVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLL...
3GCU_2_k12
1
-13.5
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s26
O50146
[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)NCNC54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
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MDKKTLSIVGASGYAGGEFLRLALSHPYLEVKQVTSRRFAGEPVHFVHPNLRGRTNLKFIPPEKLEPADILVLALPHGVFAREFDRYSALAPILIDLSADFRLKDPELYRRYYGEHPRPDLLGCFVYAVPELYREALKGADWIAGAGCNATATLLGLYPLLKAGVLKPTPIFVTLLISTSAAGAEASPASHHPERAGSIRVYKPTGHRHTAEVVENLPGRPEVHLTAIATDRVRGILMTAQCFVQDGWSERDVWQAYREAYAGEPFIRLVKQKKGVHRYPDPRFVQGTNYADIGFELEEDTGRLVVMTAIDNLVKGTAGH...
5EIO_1_k12
1
-10.4
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445184
P06820
[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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VEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMNELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVMTDGSASGRADTRILFIEEGKIVHISPLSGSAQHIEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGLVGDTPRNDDSSSNSNCRNPNNERGTQGVKGWAFDNGNDLWMGRTISKESRSGYETFKVIGGWSTPNSKSQVNRQVIVDNN...
3TIB_1_k12
0
-3.6
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174
250729
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6J98_2_k12
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753
O28142
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8Q4S_1_k12
0
-3.3
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185698
P81180
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OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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3GXZ_1_k12
0
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8172
Q04609
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
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439553
P39841
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446996
P25774
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1IW9_3_k12
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174
O70370
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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AVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLP
6DYZ_1_k12
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753
P0DTD1
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4FSM_3_k12
0
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s260
Q9UI42
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C[C@@H](CN1CNC2=C(N)NC(N)NC21)OCP(=O)(O)O
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1LVU_1_k12
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447053
P54635
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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7BEN_4_k12
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A0A7U9P668
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7EHH_2_k12
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7C16_3_k12
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s1041
P40950
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3ANG_1_k12
1
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5232593
P9WJF1
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
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4P8C_1_k12
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168451695
P25321
[CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][C@H1][OH0][CH0][=Branch1][C][=OH0][C@@H1][Branch1][S][CH2][OH0][C@@H1][OH0][CH0][=Branch1][C][=OH0][CH0][Branch1][C][CH3][=CH1][Ring1][#Branch1][C@H1][Ring1][#C][CH2][Ring2][Ring1][=Branch1]
CC1=C[C@H](OC[C@@H]2C(=O)O[C@@H]3c4ccccc4C[C@H]23)OC1=O
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TVGSAHNVTVLGSGETTVVLGHGFGTDQSVWKYLVPHLTDDYRVLLYDNMGAGTTDPNLYDFERYSSLEGHSQDLIAILEEFHVTKCIFVGHALSSMVGAVSSIFRPDLFRKIVMISACPRVANADDYYGGFEEEDVNQLYGAMEENFQTMMTGYAPIVVGGDLESEAMQEFSRTLFNMRPDIALSICRMISGYDLRPYLGLVVIPCHIIQSSKDKLVPVAVAEYLHRNFGGKSVVELIPTEGHLPHLSAPDITIPVLIRHINQDIAD
8DVC_2_k12
1
-9.1
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446996
Q56952
[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
EdRdVkQdSkGdKkIdDkCqGaNwDqVvSpWwAaKqVdPdSdDpDdPpGvRfDaNrTkRtEkLdAkKdNwIfTfFdApSdPfYaCqRfPfPwVdVkLdLkSdIkTdQdLwDdVwEdQpSvQdNdLdRaVwIdAwRdLwYdSdVtSgPrTgGtFtKmAtSiCiYmTgWtHdNpTiKtVtYrSiMiSmIiSmWmImStIgEhNd
ERVQSGKIDCGNDVSWAKVPSDDPGRDNTRELAKNITFASPYCRPPVVLLSITQLDVEQSQNLRVIARLYSVSPTGFKASCYTWHNTKVYSMSISWISIEN
4Q56_4_k12
0
-3.4
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
753
P05025
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
VdNpElLlElRfIdNaCpIcPqDfQdPdPdTdKvAvTvClDvQlRqGvCwCdWaNqPpQpGdAdVpSlVrPhWrCtYgYhSdKlNqHaSfYwHfVwEdGdNdLwVaNqTdNqAfGgFiTkAtRwLiKaNtLpPdSdSdPdVqFfGaSaNfVqDgNiVwLmLwTdAwEgYlQqTeSqNfRkFiHkFiKwLiTaDrQpTpNdNaRfFdEfVdPpHaEpHfVfQdSdFdSdGgNhAhAyApSnLhTqYwQdVwEdIfSgRgQrPpFtSwIiKwViTaRgRvSvNpNrRhViLaFfDiSqSsIsGgPyLfLtFgAgDaQfFkLt...
VNELERINCIPDQPPTKATCDQRGCCWNPQGAVSVPWCYYSKNHSYHVEGNLVNTNAGFTARLKNLPSSPVFGSNVDNVLLTAEYQTSNRFHFKLTDQTNNRFEVPHEHVQSFSGNAAASLTYQVEISRQPFSIKVTRRSNNRVLFDSSIGPLLFADQFLQLSTRLPSTNVYGLGEHVHQQYRHDMNWKTWPIFNRDTTPNGNGTNLYGAQTFFLCLEDASGLSFGVFLMNSNAMEVVLQPAPAITYRTIGGILDFYVFLGNTPEQVVQEYLELIGRPALPSYWALGFHLSRYEYGTLDNMREVVERNRAAQLPYDVQHA...
2QLY_1_k12
0
-3.2
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753
Q8L7W8
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
KdPdSdAlSfNqLkIaWkSdDqEdPaAqVqVdVdYdPqQpEqDvKvNdSdEpGvSsFvGpKpYdRdKhPpAlSvVsWqEqAfEqGfYdPwIaGfNqGqRaVkGiAwMtIwFgSgAfPpGfRkEiRkLtAfLiNfEgIqSaLqWwSaGeGaAlNqPlGvGqGaYaGdYeGfPqDqAhGaTpNnQhFfGiNfYgLaPtFpGwDmLkFmVkDgFwKpKqGaDvQhPtAdSdLrSdVfEaDrFwTmRwSmLqDrLsRlDqGrIkHtKkViNwYtKdAhDpGhVkTiYkDiRkEiAwFhSqSfTpPvAlNrVwLiVkLiNkYiKa...
KPSASNLIWSDEPAVVVYPQEDKNSEGSFGKYRKPASVWEAEGYPIGNGRVGAMIFSAPGRERLALNEISLWSGGANPGGGYGYGPDAGTNQFGNYLPFGDLFVDFKKGDQPASLSVEDFTRSLDLRDGIHKVNYKADGVTYDREAFSSTPANVLVLNYKASKPGQFSADFSVNSQLGADISAKGSVITWKGMLKNGMNYEGRVLIRPKGGTLSASGDKISVKNADSCMVVIAMETDYLMDYKKDWKGESPSRKLDRYAAKAASADYAALKQAHISQYKSMFDRVKVNFGKTEEDVAKLPTPKRLEAYKKNPADPDLEET...
7ZO0_1_k12
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