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
s587
Q13526
[CH1][=CH0][Branch2][Ring1][Branch2][NH0][Branch2][Ring1][Ring1][CH0][Branch1][#C][NH0][Branch1][C][H][CH1][NH0][Branch1][C][H][CH1][=CH1][SH0][Ring1][=Branch1][=OH0][H][NH0][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch1][NH0][Branch1][C][H][CH1][Ring2][Ring1][=Branch2][C@@][Branch1][C][...
Cc1ccc(N2NC(C(C)(C)C)C=C2NC(=O)NC2NC=CS2)cc1
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ERPTFYRQELNKTIWEVPERYQNLSPVGSSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKSQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDSELKILDFGATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSLESRDLLIDEWKSL...
3LFB_2_k12
1
-10.2
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s918
O59128
[C@@H1][Branch2][Ring1][=C][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][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]...
NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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LIASIGELLIDLISVEEGDLKDVRLFEKHPGGAPANVAVGVSRLGVKSSLISKVGNDPFGEYLIEELSKENVDTRGIVKDEKKHTGIVFVQLKGASPSFLLYDDVAYFNMTLNDINWDIVEEAKIVNFGSVILARNPSRETVMKVIKKIKGSSLIAFDVNLRLDLWRGQEEEMIKVLEESIKLADIVKASEEEVLYLENQGVEVKGSMLTAITLGPKGFRLIKNETVVDVPSYNVNPLDTTGAGDAFMAALLVGILKLKGLDLLKLGKFANLVAALSTQKRGAWSTPRKDELLKYKEAREVL
3GBU_1_k12
1
-8.7
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679
Q9Y233
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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7R2H_1_k12
0
-2.4
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s146
Q6DAJ6
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4LQQ_1_k12
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P33182
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7MX4_1_k12
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6503
P00918
[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
FdRvAvIcIlEpSdPpEcGnAqGqHpVaGwYdQfYpRpRpNdTpGvSgTdMtRgMgVrSvDvVvLvDvElRaVaSeLlWqDcFqHqCaDdPpSvGrNhVhIdQaPaGdPlNpVdDaSsRqQvYsLvQqAvAvIqDvYvVqSvSvNvGvGaGdTeIyTeIyPdAaGpYgTeWhYeLhGaSdYaGdVdGaGaIcAvGlHvSqGeIrIhQeLhRaSaNrVyNeLyNeIyEaGeReIyHeLyShPcFnFcDaLqKhPaFyQeVyFyVaGhFfDrNhGsDdPlAvSpStGdNaLhEeNhCyHeIyYeGyHqGyVeVyDeFhGhGl...
FRAIIESPEGAGHVGYQYRRNTGSTMRMVSDVLDERVSLWDFHCDPSGNVIQPGPNVDSRQYLQAAIDYVSSNGGGTITIPAGYTWYLGSYGVGGIAGHSGIIQLRSNVNLNIEGRIHLSPFFDLKPFQVFVGFDNGDPASSGNLENCHIYGHGVVDFGGYEFGASSQLRNGVAFGRSYNCSVTGITFQNGDVTWAITLGWNGYGSNCYVRKCRFINLVNSSVNADHSTVYVNCPYSGVESCYFSMSSSFARNIACSVALHQHDTFYRGSTVNGYCRGAYVVMHAAEAAGAGSYAYNMQVENNIAVIYGQFVILGSDVTA...
4XN3_4_k12
0
-2.5
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887
660366
[CH3][OH0][H]
CO
DdFcTpKvElKvFcQlLlLvAvIlSvScLlTlLpPvWqLvIvScLvAvFvNvYpHdHdPaAlLvTvQlTqLvLsSlGlLsAlVlVqSsAlSlFvLlIlSlWlAlAvEqTlAvEpFaSfLlAlIrVvAlLvLsAlVqLvPlElYlAlVqDlGlYvFlAlWlKvAcGlSaVpGnGdEcYsVlHvYlAnTlAlNlMlTlGlAlNlRlLcLlIqGqIpGlWvSlLvVlAqFvIlAlFcRvTlLvKvShKqEkVdEfLeDdDpGlIvRlLlElIlFlFlLlFvLvAlTlLvYlAlFlTvLdPlLvKvGqHwIqSfPlFvDnAlLv...
DFTKEKFQLLAISSLTLPWLISLAFNYHHPALTQTLLSGLAVVSASFLISWAAETAEFSLAIVALLAVLPEYAVDGYFAWKAGSVGGEYVHYATANMTGANRLLIGIGWSLVAFIAFRTLKSKEVELDDGIRLEIFFLFLATLYAFTLPLKGHISPFDALVFVSLYAIYIYLSTKAEREEVGGVPAYLCSLKTETRRLSVVVLFLFAGFTILMSVEAFSEGLLETARIAGIDEFLAVQWIAPLASESPELIVAIYFVRRFRVSASMNALISSKVNQWTLLIGTIAIIYSISAFKLQSLPLDARQSEEVLLTAAQSLFAVA...
4KPP_2_k12
0
-1.6
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90655273
250444
[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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DADKLPHTKVTLVAPPQVHPHEQATKSGPKVVEFTMTIEEKKMVIDDKGTTLQAMTFNGSMPGPTLVVHEGDYVQLTLVNPATNAMPHNVDFHGATGALGGAKLTNVNPGEQATLRFKADRSGTFVYHCAPEGMVPHHVVSGMSGTLMVLPRDGLKDPQGKPLHYDRAYTIGEFDLYIPKGPDGKYKDYATLAESYGDTVQVMRTLTPSHIVFNGKVGALTGANALTAKVGETVLLIHSQANRDTRPHLIGGHGDWVWETGKFANPPQRDLETWFIRGGSAGAALYTFKQPGVYAYLNHNLIEAFELGAAGHIKVEGKWN...
1WA0_2_k12
0
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753
P00178
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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7EDB_1_k12
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Q7K4Y6
[OH0][=S@][Branch1][C][CH3][CH3]
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5FZ7_2_k12
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P9WK11
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MNPSTTQARVVVDELIRGGVRDVVLCPGSRNAPLAFALQDADRSGRIRLHVRIDERTAGYLAIGLAIGAGAPVCVAMTSGTAVANLGPAVVEANYARVPLIVLSANRPYELLGTGANQTMEQLGYFGTQVRASISLGLAEDAPERTSALNATWRSATCRVLAAATGARTANAGPVHFDIPLREPLVPDPEPLGAVTPPGRPAGKPWTYTPPVTFDQPLDIDLSVDTVVISGHGAGVHPNLAALPTVAEPTAPRSGDNPLHPLALPLLRPQQVIMLGRPTLHRPVSVLLADAEVPVFALTTGPRWPDVSGNSQATGTRAVT...
5ESU_1_k12
0
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8117
P0A2K1
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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4BU9_3_k12
0
-3.2
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7966
P09803
[C@@H1][Branch1][Ring1][OH0][H][CH2][CH2][CH2][CH2][CH2][Ring1][Branch2]
OC1CCCCC1
KdEdTdAlAqAvKlFcEcRlQqHaMeDdSqSpTdSqAaAqSdSdSqNcYsCvNvQvMsMcKvSvRsNpLvTlKvDpRhCnKpPfVkNtTkFyVfHrEdSdLqAvDlVqQfAcVqCqSvQaKaNfVdAaCfKpNvGrQhTrNqCkYgQkSdYpSfTwMtSwImTwDiCwRgEfTdGpSvSaKdYpPpNrCtAdYtKgTiTdQtAdNtKfHiIwImVfAgCwEdGdNvPvYtVgPgVsHgFtDrAdStVd
KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
4J62_1_k12
0
-2.8
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0]
753
A2RI47
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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EEKEILWNEAKAFIAACYQELGKAAEVKDRLADIKSEIDLTGSYVHTKEELEHGAKMAWRNSNRCIGRLFWNSLNVIDRRDVRTKEEVRDALFHHIETATNNGKIRPTITIFPPEEKGEKQVEIWNHQLIRYAGYESDGERIGDPASCSLTAACEELGWRGERTDFDLLPLIFRMKGDEQPVWYELPRSLVIEVPITHPDIEAFSDLELKWYGVPIISDMKLEVGGIHYNAAPFNGWYMGTEIGARNLADEKRYDKLKKVASVIGIAADYNTDLWKDQALVELNKAVLHSYKKQGVSIVDHHTAASQFKRFEEQAEEAGR...
4UGY_3_k12
0
-2.4
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s63
O69689
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CC1=C(O)C(C)NC=C1COP(=O)(O)O
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6U78_1_k12
2
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s144
P09211
[CH2][Branch1][N][N@@+1][Branch1][C][H][CH2][CH2][OH0][CH2][CH2][Ring1][#Branch1][CH2][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CC[NH+]1CCOCC1
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5DCG_1_k12
0
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18609349
Q02745
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2WNB_3_k12
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5288834
Q49117
[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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4XD5_1_k12
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Q04609
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4CIG_1_k12
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8172
P0DTC1
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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IRRDKLIIDTDPGIDDSMTILMAFRAPSVEIIGLTTIFGNVDTKGATRNALLLCERAGCPEVPVAEGSHEPLKGGKPRVADFVHGSDGIGNLFLPAPSAKKVEESAADFLINKVSEFPGEVSVLALGPLTNVALAIKRDPSFASKVKKIVVLGGAFFAAGNVNPAAEANIHGDPEAADIVFTSGADIVVVGINITTQVCLTDEDLLELRNSKGKHAAFLYEMCKFYRDWHAKSDGFHGIFLHDPVSFTAVLHPEYFTFKKGVVRVETQGICTGHTLMDQGLKKWNSENPWSGYKPISVAWTVDVPKVISFIKKLLMAP
6ZK3_3_k12
0
-3.4
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s707
P35963
[CH0][Branch2][Ring1][=Branch2][NH0][Branch2][Ring1][Ring2][CH0][=Branch1][C][=OH0][CH2][CH0][=CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH2][Ring1][Branch2][H][=CH1][CH1][=CH1][CH0][Branch1][=C][OH0][C@H1][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH2][Ring1][=Branch1][=CH1][Ring2][Ring1][#Branch2]
O=C(CC1=CNCNC1)Nc1cccc(O[C@@H]2CC(=O)N2)c1
SdGaFdRdKqMdAaFpPdScGvKlVqElGlCqMwVkQwVkTaCaGpThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSvEvDcMqLaNpPpNdYsEvDvLsLcIvRpKdSdNlHvNrFiLwViQgAdGpNhVdQtLwRrVfIpGdHwSdMdQqNaCgVmLiKiLgKgVtDpTgAtNrPpKsTrPwKaYeKdFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPgSdGdViYgQiCwAtMqRfPnNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
5RGU_2_k12
1
-7.4
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439427
B2CML6
[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][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][Ring2][Ring1][Branch1]
O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
SdRaDdLaQpNlHaLaLeFeEeTeAdTaEcVdAqNhRpVpGdGpIvYvSqVqLvKqSqKlAlPqIvTvVcAvQvYnKvDqHrYyHeLyIeGhPaLdNpKpApTpYnQvNpEfVwDdIfLdDdWlKvKdPpEvApFaSdDpElMrRpPlVlQsHvAlLvQvTvMcEvSvRvGfVwHdFwVtYwGtRfWtLpIgEpGnAgPhKiVyIiLhFtDhLlDvSrVvRlGvYcSlNvEvWqKqGvDvLcWcSvLqVqGnIfPhSdPdEpNpDdFpEqTlNsDqAlIsLsLqGlYvTvVvAlWsFsLlGlEsVsAqHvLrDnSpQyHh...
SRDLQNHLLFETATEVANRVGGIYSVLKSKAPITVAQYKDHYHLIGPLNKATYQNEVDILDWKKPEAFSDEMRPVQHALQTMESRGVHFVYGRWLIEGAPKVILFDLDSVRGYSNEWKGDLWSLVGIPSPENDFETNDAILLGYTVAWFLGEVAHLDSQHAIVAHFHQWLAGVALPLCRKRRIDVVTIFTTHATLLGRYLCASGSFDFYNCLESVDVDHEAGRFGIYHRYCIERAAAHSADVFTTVSQITAFEAEHLLKRKPDGILPNGLNVIKFQAFHEFQNLHALKKEKINDFVRGHFHGCFDFDLDNTLYFFIAGRY...
5VNC_2_k12
2
-6
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767
P06820
[CH0][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H]
O=C(O)O
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SEVPQVVSLDPTSIPIEYNTPIHDIKVQVYDIKGGCNVEEGLTIFLVNNPKENGPVKISSKVNDKQVSEFLKDENMEKFNVKLGTSKHFYMFNDNKNSVAVGYVGCGSVADLSEADMKRVVLSLVTMLHDNKLSKLTVVFEINVDKNLFRFFLETLFYEYMTDERFKSEYIKHLGVYINNADTYKEEVEKARVYYFGTYYASQLIAAPSNYCNPVSLSNAAVELAQKLNLEYKILGVKELEELKMGAYLSVGKGSMYPNKFIHLTYKSKGDVKKKIALVGKGITFDSGGYNLKAAPGSMIDLMKFDMSGCAAVLGCAYCV...
6EE2_3_k12
0
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174
P00157
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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NEQPGLCGLSNLGFMNSAIQCLSNTPPLTEYFLNDKYQEELNFDNPLGMRGEIAKSYAELIKQMWSGKFSYVTPRAFKTQVGRFAPQFCQELLAFLLDGLHEDLNRIRKKPYIQLKDADGRPDKVVAEEAWENHLKRNDSIIVDIFHGLFKSTLVCPECAKISVTFDPFCYLTLPLPMPKKPFVKLKDCIELFTTKEKLGAEDPWYCPNCKEHQQATKKLDLWSLPPVLVVHLKRFSYSRYMRDKLDTLVDFPINDLDMSGCRYNLIAVSNHYGGHYTAFAKNKDDGKWYYFDDSSVSTASEDQIVSKAAYVLFYQRQSS...
6ML1_2_k12
0
-2.6
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174
P03372
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SLALSLTADQIISALLEAEPPILYSEYDPSRPFSEAYMMGLLTNLADRELVHMINWAKKVPGFVDLSLHDQVHLLESAWLEILMIGLVWRSMDHPGKLLFAPDLLLDREQGKSVEGMVEIFDMLLATSERFREMKLQREEFVCLKAIILLNSGVYTFLSSTLKSLENKEKIHRMLDKITDALIWYMAKSGLSLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKSKNVVPLSDLLLEMLDAHR
7NFB_1_k12
0
-2.7
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753
P00698
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6WIC_2_k12
0
-3.1
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s354
P19549
[NH0][Branch1][=C][CH2][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H][CH2][CH2][NH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][Ring2][Ring1][Ring1]
OCCN1CCN(CCS(O)(O)O)CC1
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6UTD_2_k12
0
-4.6
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1005
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s37
O58456
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2E8H_1_k12
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s598
Q8IU60
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4KFQ_1_k12
1
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164513278
A0A0H2XLA2
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O=C(Nc1ccc(C(=O)N[C@@H]2c3cccc(O)c3C[C@@H]2C(=O)O)c(O)c1)NC1CC1
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5SQW_2_k12
1
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776315
P35247
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH1][=CH0][Branch1][O][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][OH0][CH3][OH0][Ring1][P]
COc1ccccc1-c1ccc(C(=O)O)o1
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2XP3_2_k12
2
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79025
Q8FVS7
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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s223
O15496
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4CRT_2_k12
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s678
P30656
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7O2L_1_k12
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s520
P15291
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1T40_2_k12
1
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753
O43293
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3BQR_2_k12
0
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753
B2URB8
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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NDLIYQDEHASLQPLEGRTVAVIGYGIQGRAFAANLRDSGVAVRVGNIDDRYFELARAEGHRVTNIAEAVAHADIVLLLIPDEAHGAVFDVDIAPNLRDGALLCVAHGHSLVQGDVRPLPGRDLAMLAPRMYGDPIRRYYLAGQGAPAYFDIVADHTGRARDRVLAIARAVGFTRAGVMALGYRQETFLDLFQEQFLAPALVDLVETGFQVLVERGFNPKAALLEVYGSGEMGKMMLDGADIGLDEVVALQGSPTCQVGYHRWRGRTLPTAVRELAARVLDQIEGGDFSAYLKEQASNDYASLDDARRAALKRPLNVAHA...
7PCC_2_k12
0
-4
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753
Q9FD71
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MTIGIDKISFFVPPYYIDMTALAEARNVDPGKFHIGIGQDQMAVNPISQDIVTFAANAAEAILTKEDKEAIDMVIVGTESSIDESKAAAVVLHRLMGIQPFARSFEIKEAAYGATAGLQLAKNHVALHPDKKVLVVAADIAKYGLNSGGEPTQGAGAVAMLVASEPRILALKEDNVMLTQDIYDFWRPTGHPYPMVDGPLSNETYIQSFAQVWDEHKKRTGLDFADYDALAFHIPYTKMGKKALLAKISDQTEAEQERILARYEESIIYSRRVGNLYTGSLYLGLISLLENATTLTAGNQIGLFSYGSGAVAEFFTGELV...
1YSL_3_k12
0
-3.9
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s1111
P29476
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CCC(=O)N1CCC[C@@H](N2NC(C3=CN(CCc4ccccc4)NN3)=C3C(N)NCNC32)C1
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7OVI_1_k12
1
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25338190
P22736
[OH0][CH2][C@H1][OH0][C@@H1][Ring1][Branch1][C@H1][Branch1][N][N@+1][Branch1][C][H][CH2][CH2][CH2][CH2][CH2][Ring1][#Branch1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Ring1][#C][N@@+1][Branch1][C][H][Branch1][C][H][CH2][CH0][=CH1][CH1][=CH1][OH0][Ring1][Branch1]
O[C@H]1[C@H]([NH2+]Cc2ccco2)[C@H]2CO[C@H](O2)[C@@H]1[NH+]1CCCCC1
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
5QBO_1_k12
2
-6.1
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447053
Q96AP4
[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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5W5M_2_k12
0
-3.8
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s448
P26664
[CH1][Branch1][O][OH0][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][=CH0][Branch2][Ring1][=Branch2][NH0][Branch1][C][H][CH1][Branch1][=N][NH0][Branch1][C][H][C@H1][Branch1][Ring1][CH2][CH3][CH2][OH0][H][NH0][Ring2][Ring1][#Branch1][H][NH0][Branch1][=Branch1][C@@H1][Branch1][C][CH3][CH3][CH2][NH0][Ring2][...
CC[C@H](CO)NC1NC2=C(NCN2C(C)C)C(OCc2ccccc2)N1
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1YHJ_1_k12
1
-9.1
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679
Q8JUX6
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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GAMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQMRTGAMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISE...
7H78_1_k12
0
-1.6
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753
P42262
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGIATPKGSSLRNAVNLAVLKLNEQGLLDKLKNKWWYDKGECGSNKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLTIVGDGKY...
5YBG_4_k12
0
-3.5
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446875
P01764
[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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6HA9_2_k12
0
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s751
O60885
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COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1NC1NCC2=C(N1)N(C)c1ccccc1C(=O)N2C
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5WA5_2_k12
1
-9.4
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753
Q9Y663
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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TFNLFVGDLNVNVDDETLRNAFKDFPSYLSGHVMWDMQTGSSRGYGFVSFTSQDDAQNAMDSMQGQDLNGRPLRINWAAKLEH
3MD1_1_k12
0
-3
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s461
P0C0Y9
[CH0][=Branch1][C][=OH0][C@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][CH3][CH0][=CH0][NH0][Branch1][C][H][CH0][=Branch2][#Branch1][S][=CH1][CH0][=N+1][Branch1][C][H][CH0][=Branch2][=Branch1][N][=CH1][CH0][=CH0][Branch1][=Branch1][CH0][Branch1][C][CH3][=OH0][CH0][Branch1][C][CH3][=CH0][Branch1][Branch1][NH0][Ri...
CCC1=C(C)c2cc3[nH]c(cc4[nH+]c(c5c6[nH]c(cc1[nH+]2)c(C)c6C(=O)[C@@H]5C(=O)OC)C(CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C4C)c(C)c3C(C)=O
AdLdLdSvFpEcRpKvYlRlVdPaGdGlTaLpVpGdGrNcLvFqDqFqWaVdGvPpFhYgVaGgFpFlGnVvAqTlFvFvFlAvAvLvGlIvIvLlIlAvWvSlAcVvLvQvGvTdWdNdPlQqLpIrSkVaYaPaPaAaLcEvYcGfLpGhGaAdPdLsAnKrGhGnLsWvQvIsIsTvIvCsAvTlGsAnFlVlSsWvAlLsRsEvVsEsIvCcRrKsLnGvIhGdYsHlIpPsFvAlFsAvFlAvIsLlAlYlLcTlLqVqLpFlRqPsVvMlMlGgAhWnGnYlAhFaPmYpGgIpWvTrHsLvDvWsVvSvNvTl...
ALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILIAWSAVLQGTWNPQLISVYPPALEYGLGGAPLAKGGLWQIITICATGAFVSWALREVEICRKLGIGYHIPFAFAFAILAYLTLVLFRPVMMGAWGYAFPYGIWTHLDWVSNTGYTYGNFHYNPAHMIAISFFFTNALALALHGALVLSAANPEKGKEMRTPDHEDTFFRDLVGYSIGTLGIHRLGLLLSLSAVFFSALCMIITGTIWFDQWVDWWQWWVKLPWWANIPGGINGAEYQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLL...
1OGV_1_k12
1
-10.4
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CC(C)C1NC(N)NC2=C1NC(C(=O)O)=CN2
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YERLDLDVTSQTTGEEYFRFITLLRDYVSSGSFSNEIPLLRQSGGGVEAARFVLVELTNEGGDSITAAIDVTNLYVVAYQAGSQSYFLSGPGTHLFTGTTRSSLPFNGSYPDLEQYAGHRKQIPLGIDQLIQSVTALRFPGNTRTQARSILILIQMISEAARFNPILWRARQYINSGASFLPDVYMLELETSWGQQSTQVQQSTEGVFNNPIRLAIPGNFVTLTNVRDVIASLAIMLFVC
1YF8_2_k12
2
-6.2
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s739
P00390
[CH2][Branch2][Ring2][#C][C@H1][Branch2][Ring1][O][C@H1][Branch2][Ring1][Branch1][NH0][Branch1][P][CH2][CH2][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][OH0][H][H][OH0][H][NH0][Branch1][C][H][C@H1][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][OH0][H][SH0][SH0][CH2][C@@H1][Branch1][...
N[C@@H](CCNC(=O)[C@@H](CSSC[C@@H](N[C@@H](O)CC(=O)O)[C@@H](O)NCC[C@H](N)C(=O)O)NC(=O)CC(=O)O)C(=O)O
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VASYDYLVIGGGSGGLASARRAAELGARAAVVESHKLGGTCVNVGCVPKKVMWNTAVHSEFMHDHADYGFPSCEGKFNWRVIKEKRDAYVSRLNAIYQNNLTKSHIEIIRGHAAFTSDPKPTIEVSGKKYTAPHILIATGGMPSTPHESQIPGASLGITSDGFFQLEELPGRSVIVGAGYIAVEMAGILSALGSKTSLMIRHDKVLRSFDSMISTNCTEELENAGVEVLKFSQVKEVKKTLSGLEVSMVTAVPGRLPVMTMIPDVDCLLWAIGRVPNTKDLSLNKLGIQTDDKGHIIVDEFQNTNVKGIYAVGDVCGKAL...
4GR1_2_k12
0
-4.8
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679
P11838
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCpTdSvEvDcMqLqNpPhNpYsEvDvLsLcIvRvKdSdNqHvNrFiLwViQqAaGpNhVdQtLwRrVfIdGdHwSdMqQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPwKaYeKaFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAgMqRfPnNlFrTwItKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GBE_1_k12
0
-2
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14080393
P25440
[NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][=CH0][Ring1][#Branch2][NH0][Branch2][Ring1][Ring2][CH2][C@@H1][Branch1][=C][C@@H1][Branch1][=Branch2][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][H][OH0][H][OH0][H][CH0][=CH1][CH0][Branch1][C][CH3][=CH0][Branch1][C][CH3][CH1][=CH...
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)c1[nH]c(=O)[nH]c(=O)c1N2
DdIdAdDpLvRcAvLvLpDdEpDvEqAvEvMfSfVkVwFkSfDfPvSpQdPpDqNrPaMtIqYdVtSdDpArFvLcVvQvTqGvYhTdLpEvEvVgLgGpRhNhCpRcFqLqQdGdPdDpTwNdPvHvAvVvEvAvIvRvQvGvLvKvAvEqTaRwFdTwIdDfItLwNgYhRhKpDvGgSdAiFfVtNwRgLkRiIkRhPfIdYaDdPpEvGgNhLtMgFiFiAmGiAtQtNdPtVdLd
DIADLRALLDEDEAEMSVVFSDPSQPDNPMIYVSDAFLVQTGYTLEEVLGRNCRFLQGPDTNPHAVEAIRQGLKAETRFTIDILNYRKDGSAFVNRLRIRPIYDPEGNLMFFAGAQNPVL
4KUK_1_k12
1
-10.7
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,1,0,0,0]
753
P0AES2
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
LdVqPwVaIwTaKdMkEdVkYfPkVfAkGfHaDfSaMqLfLqNaLlSqGfGtHfAaPrYiFaTiRkNmIkVmIwLiTaDiSpEvGgNdTiGfViGdEiVfPhGwGfPvKvIlTrTvAlLlEvNvVcSgDvIlVrVgGpTgKgVlSvDcYlRvNvTsLlLvKvVsQlAvEvLcDvKvSpDdLlRqTsGsVlHlVnLsTqArIsEvAqPrCsLlDlLvLvGlKvAvLvDvMhPeVsClRqLvLaGdAvGgQfQaRdDfFwVaRfFaLaGaYeLfFgFfVgGaDaRpKvKlTdDpLgPpYhQdSaEpEcDpSdDpCqEqWlYr...
LVPVITKMEVYPVAGHDSMLLNLSGGHAPYFTRNIVILTDSEGNTGVGEVPGGPKITTALENVSDIVVGTKVSDYRNTLLKVQAELDKSDLRTGVHVLTAIEAPCLDLLGKALDMPVCRLLGAGQQRDFVRFLGYLFFVGDRKKTDLPYQSEEDSDCEWYRLRNEEAIDAEHVVALCKAAKNKYGFKDFKLKGGVLRGDEEMKVIKAMKKAFPDARMDLDPNGAWHLDDAVRYVADMHGILTYCEDPCGAEDGYSGREIMSEFRRRTGFPTATNMIATDWRQVGHSLESQAVDIILADPHFWTMNGSVRVAQMCHEFGYT...
4HYR_2_k12
0
-2.7
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78224162
F4KCL7
[NH0][Branch1][P][CH2][CH2][CH1][NH0][Branch1][C][H][NH0][Branch1][C][H][NH1][NH0][Ring1][#Branch1][H][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][CH0][Ring2][Ring1][Ring2][=OH0]
O=C1c2ccccc2C(=O)N1CCC1NNNN1
TdSdAdVlQvQvKlLlAvAvLlEcKvSvSvGqGwRdLkGwVkAwLkIaDfTvAqDpNrTdQiVdLtYdRqGqDaEdRkFfPqMcCfSlTvSlKlVlMlAlAlAlAlVqLlKqQvScEvTpQvKvQcLqLqNaQdPwVdEaIaKaPpAvDlLaVdNdYaNaPpIpAsEvKvHaVhNrGhTtMdTgLlAvErLlSsAlAcAcLfQaYvSvDgNqTsAsMqNqKvLsIqAvQvLlGvGhPqGvGsVsTvAvFlAcRvAvIlGpDqEpTfFaRgLaDdRdTgEpPpTvLsNqTqAgIdPpGpDdPsRhDnTiTgTgPnRnAsMv...
TSAVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAAAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDPRDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTSWTAGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLASAARIIAEGL
3G32_1_k12
1
-7.9
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7156966
P0C0Y9
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2UWW_8_k12
0
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753
P53563
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6N5X_1_k12
0
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753
P00396
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
3A7X_2_k12
0
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444205
Q01469
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7CEL_2_k12
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s112
Q65900
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s182
Q49729
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5K4Z_1_k12
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162428511
Q59643
[S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][CH2][CH2][NH0][Branch1][C][CH3][CH3]
CN(C)CCS(O)(O)O
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2WOQ_1_k12
0
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174
Q70CQ3
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8D1T_1_k12
0
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4XT7_1_k12
1
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174
P9WN93
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7KT9_1_k12
0
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127019
P20760
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CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)OCCO3)ccc21
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DMPVERILEAELAVEPDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAP
1MVC_1_k12
1
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174
Q09312
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5PPI_1_k12
0
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422222
P9WNH1
[CH1][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][NH0][Branch1][C][H][CH2][Ring1][O]
O=C(O)C1=CCNC=C1
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PDVRPVHGVHARMAEKMTLSHKEIPTAKASVEVICAELLRLRDRFVSAAPEITPFALTLRLLVIALKHNVILNSTWVDSGEGPQVHVHRGVHLGFGAATERGLLVPVVTDAQDKNTRELASRVAELITGAREGTLTPAELRGSTFTVSNFGALGVDDGVPVINHPEAAILGLGAIKPRPVVVGGEVVARPTMTLTCVFDHRVVDGAQVAQFMCELRDLIESPETALLDL
3L60_1_k12
0
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6503
P41182
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NC(CO)(CO)CO
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2X6Y_4_k12
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356
P22985
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
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7VSO_7_k12
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64960
P00509
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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MAKEFGIPAAVAGTVLNVVEAGGWVTTIVSILTAVGSGGLSLLAAAGRESIKAYLKKEIKKKGKRAVIAW
1O84_1_k12
0
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s654
P0DTD1
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7JHE_2_k12
2
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2CZ2_1_k12
0
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s145
Q8Y8D7
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6MAZ_1_k12
1
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78432
Q5REY6
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
OCC(CO)CO
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4S1A_2_k12
0
-3.1
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s641
P56817
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5EQ3_2_k12
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s30
P00396
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5NFX_2_k12
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444205
P03457
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1JSH_2_k12
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P68136
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8117
P11838
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5AKI_2_k12
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s125
I1RDA9
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1XA7_1_k12
2
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6503
P19582
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NC(CO)(CO)CO
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7H7J_3_k12
0
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s59
P95748
[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
PdQaAaDaYcSdGdEvInAlEvLcYvDvLvVvHvQvGqKvGvKqDdYlHlRvEqAlAvDvLvAlAvLvVfRcRvHqSqPvKpAfAaSeLeLeDeVeAlCcGfTlGqMsHnLvRlHnLvAvDvSvFhGvTaVyEeGyLeEhLaShAvDrMsLvAvInAnRcRvRsNvPvDpAhVhLyHhHhGdDdMlRlDdFdSdLdGpReRaFgSqAeVyTeCyMdFdSaSpIvGlHqLqAdGdQlAvEsLlDlAsAsLlElRvFnAlAvHrVhLdPqDsGhVkVyVkVyEqPhWdWaFaPpEvNvFdTdPaGqYdVkAdAwGgTwVdEd...
PQADYSGEIAELYDLVHQGKGKDYHREAADLAALVRRHSPKAASLLDVACGTGMHLRHLADSFGTVEGLELSADMLAIARRRNPDAVLHHGDMRDFSLGRRFSAVTCMFSSIGHLAGQAELDAALERFAAHVLPDGVVVVEPWWFPENFTPGYVAAGTVEAGGTTVTRVSHSSREGEATRIEVHYLVAGPDRGITHHEESHRITLFTREQYERAFTAAGLSVEFMPGGPSGRGLFTGLPGA
3PFH_1_k12
1
-9
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753
Q4L3L8
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MPRVLVTGALGQIGTDLSLALRDKFGADSVLVSDVVEPGAKHPLAGLKGVEKLDCLDSNGFEKLVKEFKPTWMYHLPAIMSVRGEAEPDLAMDINVNTTRYALELARKYNIRIFIPSTIAAFGDKCGKTMTKDDTIMNPSTVYGVTKVYTELLGTWYRQKYGVDFRSVRLPGIISAATLPGGGATDYAIHMYHSALLQKKCVCPVLPYESLPMMYMPDTLNSLVKIMEAPLEKLTRTVYNITGFSFSPSELRFSIERCTDRTIEVEYVEGPAQKIANSWPDSLDDSNARNDWGHQVKYDIDMMSEDMLRQIPILHGLPSL
5K4Y_3_k12
0
-3.3
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53313341
O67987
[CH2][Branch2][Ring1][=Branch1][C@H1][Branch1][C][CH3][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCC
AdNdTvRvVcIvEvLvFvDvEvFvTvDvLvIvRvDvFvIcVvRvHvEvIcTdTdPvEnYvEvTvIvMvQvYlMvIvSqVcGvEvAvGvEcWpPqLqWqLcDlAlFaFpEpTqTpVvDlSvVvSvYdGdKdGdNqWfTdSrSaAfIdQpGgPdFaFdKdEpGpAaPaLaLfTdGdKpPaAgTeLfPaMaRdAdDcEqPdGaDaRkMaRkFeTkGaSfVeRdDaTsSvGrThPgIaTqGqAkVkIkDkVkWaHdSaTgNlDvGaNdYgSaFpFpSdPpAvLhPhDvQdYrLgLrRiGhRiVwVgPqAdEpDrGgSmItEmFh...
ANTRVIELFDEFTDLIRDFIVRHEITTPEYETIMQYMISVGEAGEWPLWLDAFFETTVDSVSYGKGNWTSSAIQGPFFKEGAPLLTGKPATLPMRADEPGDRMRFTGSVRDTSGTPITGAVIDVWHSTNDGNYSFFSPALPDQYLLRGRVVPAEDGSIEFHSIRPVPYEIPKAGPTGQLMNSYLGRHSWRPAHIHIRITADGYRPLITQLYFEGDPYLDSDSCSAVKSELVLPVNKIDIDGETWQLVDFNFILQHNANTRVIELFDEFTDLIRDFIVRHEITTPEYETIMQYMISVGEAGEWPLWLDAFFETTVDSVSYG...
3O6R_1_k12
1
-7.5
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s621
A0A7H0DN74
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NC1=C2NCN([C@@H]3O[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)C2NCN1
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MDVVSLDKPFMYFEEIDNELDYEKLPYQGQLKLLLGELFFLSKLQRHGILDGATVVYIGSAPGTHIRYLRDHFYNLGVIIKWMLIDGRHHDPILNGLRDVTLVTRFVDEEYLRSIKKQLHPSKIILISDVRSEPSTADLLSNYALQNVMISILNPVASSLKWRCPFPDQWIKDFYIPHGNKMLQPFAPSYSAEMRLLSIYTGENMRLTRVTKSDAVNYEKKMYYLNKIVRNKVVINFDYPNQEYDYFHMYFMLRTVYCNKTFPTTKAKILFLQQSIFRFLNIP
8B07_1_k12
1
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s47
A5KE01
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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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GSFNELNAINENIRDDLSALLKSDFFKYFRLDLYKQCSFWDANDGLCLNRACSVDVVEDWDTLPEYWQPEILGSFNNDTMKEADDSDDEAKFLDQLCQTSKNAVLIDLTANPERFTGYGGKQAGQIWSTIYQDNCFTIGETGESLAKDAFYRLVSGFHASIGTHLSKEYLNTKTGKWEPNLDLFMARIGNFPDRVTNMYFNYAVVAKALWKIQPYLPEFSFCDLVNKEIKNKMDNVISQLDTKIFNEDLVFANDLSLTLKDEFRSRFKNVTKIMDCVQCDRCRLWGKIQTTGYATALKILFEINDADEFTKQHIVGKLTK...
3NVJ_1_k12
1
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753
P0A953
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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EKKYIVALDQGTTSSRAVVMDHDANIISVSQREFEQIYPKPGWVEHDPMEIWATQSSTLVEVLAKADISSDQIAAIGITNQRETTIVWEKETGKPIYNAIVWQCRRTAEICEHLKRDGLEDYIRSNTGLVIDPYFSGTKVKWILDHVEGSRERARRGELLFGTVDTWLIWKMTQGRVHVTDYTNASRTMLFNIHTLDWDDKMLEVLDIPREMLPEVRRSSEVYGQTNIGGKGGTRIPISGIAGDQQAALFGQLCVKEGMAKNTYGTGCFMLMNTGEKAVKSENGLLTTIACGPTGEVNYALEGAVFMAGASIQWLRDEMK...
1GLF_1_k12
0
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