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
15331497
Q9KEI9
[OH0][CH1][=CH1][NH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch1]
CN1C=COC=C1
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4KNJ_2_k12
0
-3.4
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8117
Q06124
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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5H8J_4_k12
0
-2.6
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s882
A0KGY6
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NC1NC2=C([C@H](O)N1)N(C=O)[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2
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4XD1_3_k12
1
-8.7
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753
P9WPQ5
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdGkTaIeLeVeVeTfGeTlGwTpGpVqGaKsTlVlVvCvAlAlLlAlSlAqAlRvQvAvGvIfDaVeAaVeCeKePaVeQeTeGqTvAlRvGvDdDdDsLqAvElVsGcRqLqArGvVhTpQrLyAdGyLhAhRyYfPnQhPpMdAqPrAvAvAsAcEvHvAvGvMhAaLaPdAaRlDvQvIsVlRvLrIqAvDvLpDdRdPaGrRhLyTyLyVyEyGyAdGtGgLfLqVgEdLrAhEpPpGsVdTgLvRlDnVsAcVvDvVvAvAhAaAyLeVyVeVfTaAlDdLpGpTgLvNvHsTvKvLvTrLvEvAvLnAvAvQs...
GGTILVVTGTGTGVGKTVVCAALASAARQAGIDVAVCKPVQTGTARGDDDLAEVGRLAGVTQLAGLARYPQPMAPAAAAEHAGMALPARDQIVRLIADLDRPGRLTLVEGAGGLLVELAEPGVTLRDVAVDVAAAALVVVTADLGTLNHTKLTLEALAAQQVSCAGLVIGSWPDPPGLVAASNRSALARIAMVRAALPAGAASLDAGDFAAMSAAAFDRNWVAGLVGGGTILVVTGTGTGVGKTVVCAALASAARQAGIDVAVCKPVQTGTARGDDDLAEVGRLAGVTQLAGLARYPQPMAPAAAAEHAGMALPARDQIV...
7L1J_2_k12
0
-3.8
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208902
P49286
[OH0][CH0][=CH0][Branch1][Branch1][CH2][CH2][Ring1][Branch1][CH0][=CH0][Branch2][Ring1][C][CH2][CH2][C@H1][Ring1][Branch1][CH2][CH2][NH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][CH2][CH3][H][CH1][=CH1][Ring2][Ring1][Ring1]
CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
GdDpGpApRaPdSpWvVlAlPvAlLlSlAvVlLlIvVvTlTlAvVlDlVqVpGlNlLvLlVlIlLvSlVlLvRpNdRpKvLlRvNvAlGvNcLvFlLsVvSlLlAsLvAlNlLnVqVlAsFpYqPfYsPvLqIlLnVvAlIsFvYvDvGaWrApFdGaEvEvHsCqKlAvSnAqFlVsMpGqLlSsVlIlGvSnVlWvNsIlTlAvIvAlIvDvRlYlLcYcIqCpHvSvMvAvYvHvRvIdYdRdRpWvHvTvPvLvHvIsCvLvIsWsLvLvTsVvVvAlLsLvPvNcFlFqVlGvSqLqEaYqDdPsRlInYsSgCr...
GDGARPSWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNAGNLFLVSLALANLVVAFYPYPLILVAIFYDGWAFGEEHCKASAFVMGLSVIGSVWNITAIAIDRYLYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARCLKPSDLRSFLTMFVVFVIFAICFAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFNSCLNPIVYGLLDQNFRREYKRILLALWNMKKYTCTVCGYIYNPEDGDPDNGVNPGTDFK...
6ME9_1_k12
1
-9.5
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s685
P17707
[C@@H1][NH0][Branch1][C][H][CH1][=CH1][NH0][Ring1][=Branch1][C@H1][Branch1][Ring2][CH2][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring1][P][OH0][H]
OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H]2NC=CN12
GdTqEaLaDdYpDqTeFeCfFeYdYeDqWqYaGaSdEcAvIpDpGnQdYgRgHqWqAkHaAaIfAdPdDdPpNpGpGdSpGdQdNpPrGgTiIfPrGnTdQqEqStIgAlSfNlFfYaPfQpLvGgRrYhShSlSlDdPlNvIvLlTlKvHvMlDvMlFcVsMlAlRsThGqVeLyAaLyTeWdWaNpEpQpDdEpTvEvAvKnRsIvGvLsInLlDvAsAsDvKvKnKnIhKaVyCaFyHeLyEePdYyPdSpRdNfVvQvNvLvRvEvNvIlVvKvLcIcTvRvYpGvNpHrPsArFhYdRdKdDpGpKaPgLeFyFe...
GTELDYDTFCFYYDWYGSEAIDGQYRHWAHAIAPDPNGGSGQNPGTIPGTQESIASNFYPQLGRYSSSDPNILTKHMDMFVMARTGVLALTWWNEQDETEAKRIGLILDAADKKKIKVCFHLEPYPSRNVQNLRENIVKLITRYGNHPAFYRKDGKPLFFIYDSYLIEPSEWEKLLSPGGSITIRNTAYDALMIGLWTSSPTVQRPFILNAHFDGFYTYFAATGFTYGSTPTNWVSMQKWAKENGKIFIPSVGPGYIDTRIRPWNGSVIRTRTDGQYYDAMYRKAIEAGVSAISITSFNEWHEGSQIEPAVPYTSSEFTY...
6FAR_1_k12
2
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81462
P24524
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OCCN(CCO)C(CO)(CO)CO
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3P8A_3_k12
0
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444655
P31800
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NC(=[NH2+])c1ccccc1
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6Q37_2_k12
0
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67324
475254
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7UXQ_1_k12
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447053
P02879
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7KDU_2_k12
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Q6WY08
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3WG3_5_k12
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78225628
P29375
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5MJL_2_k12
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5288834
Q07011
[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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4PDV_1_k12
0
-2.7
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753
Q6ITZ3
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4UQP_1_k12
0
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1110
Q59523
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CCC(=O)O
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2YGX_2_k12
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13872
O44074
[CH1][=CH1][CH0][=CH1][CH0][Branch1][Ring1][OH0][CH3][=CH1][CH1][=CH0][Ring1][Branch2][NH0][Ring1][O][H]
COc1ccc2[nH]ccc2c1
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3IMC_3_k12
2
-5.9
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s223
Q9HXE3
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][N][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][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C...
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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HHHHHHPIEADYLVIGAGIAGASTGYWLSAHGRVVVLEREAQPGYHSTGRSAAHYTVAYGTPQVRALTAASRAFFDNPPAGFCEHPLLSPRPEMVVDFSDDPEELRRQYESGKALVPQMRLLDAEQACSIVPVLRRDKVFGATYDPTGADIDTDALHQGYLRGIRRNQGQVLCNHEALEIRRVDGAWEVRCDAGSYRAAVLVNAAGAWCDAIAGLAGVRPLGLQPKRRSAFIFAPPPGIDCHDWPMLVSLDESFYLKPDAGMLLGSPANADPVEAHDVQPEQLDIATGMYLIEEATTLTIRRPEHTWAGLRSFVADGDLV...
3NYC_2_k12
1
-15.3
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s640
Q6DTN4
[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][=CH1]...
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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DVSFRLSGATSSSYGVFISNLRKALPNERKLYDIPLLRSSLPGSQRYALIHLTNYADETISVAIDVTNVYIMGYRAGDTSYFFNEASATEAAKYVFKDAMRKVTLPYSGNYERLQTAAGKIRENIPLGLPALDSAITTLFYYNANSAASALMVLIQSTSEAARYKFIEQQIGKRVDKTFLPSLAIISLENSWSALSKQIQIASTNNGQFESPVVLINAQNQRVTITNVDAGVVTSNIALLLNRNNMA
1TCS_1_k12
1
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753
O31822
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4PDG_2_k12
0
-3.5
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s938
O61955
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CN1CN([C@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N(C)C)N2
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MRHPLQCHWALWYLKADRSKDWEDCLKQVAVFDTVEDFWSLYNHIQAASGLTWGSDYYLFKEGIKPMWEDENNVKGGRWLVVVDKQKRAQLLDHYWLELLMAIIGEQFEDNGEYICGAVVNVRQKGDKVSLWTRDSLKDDVNLRIGQILKAKLEIPDTEPIRYEVHKTGSMVKPRIVIPS
3M94_2_k12
1
-7.4
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s692
Q99KH8
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4QMM_1_k12
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s722
P00390
[CH2][Branch1][Branch1][CH1][=CH1][SH0][H][S@][=Branch1][C][=OH0][CH2][CH1][=CH2]
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1BWC_2_k12
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679
Q15047
[OH0][=S@@][Branch1][C][CH3][CH3]
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3RXK_2_k12
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P28482
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4FV0_3_k12
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P03366
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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3QLH_1_k12
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174
P24863
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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5PO6_1_k12
0
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753
P29473
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3N5R_2_k12
0
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174
Q5R5H1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7LNH_2_k12
0
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s840
P0ABQ6
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NC1NC(=O)C2=C(NC=C(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)N2)N1
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1RA2_1_k12
1
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29435
O16098
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6LGC_1_k12
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444205
W4KMP1
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5NNS_3_k12
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Q6L741
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6S0F_4_k12
0
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5997
P29274
[CH2][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][CH0][=CH1][CH2][C@@H1][C@@H1][Branch1][#Branch1][C@@][Ring1][N][Ring1][=Branch1][CH3][CH2][CH2][C@@][Branch1][C][CH3][C@H1][Ring1][=Branch2][CH2][CH2][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@@H1][Branch1][C][CH3][CH3]
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
GdApPdPpIvMvGvSlSvVvYlIlTvVlElLlAvIlAlVvLlAlIqLvGlNlVvLlVlCvWvAlVcWvLpNdSvNvLnQpNdVlTlNcYvFlVvVnSqLlAsAvAlDlInLcVcGsVvLqAlIsPvFlAvIsTvIlSvTvGlFdCkAdAqClHlGvClLlFvIsAlClFpVnLqVlLsAlQlSlSnIlFlSsLlLlAvInAlIvDlRlYlIcAcIlApIpPvLvRcYsNpGvLpVdThGpTvRvAsAvGvIsIsAvIvCsWsVvLvSsFcAcIlGsLsTvPlMsLvGpWqNwNqClGvQpPaKpEvGvKqAcHvSvQnGv...
GAPPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIPFAITISTGFCAACHGCLFIACFVLVLAQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKAHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFAAARRQLERARSTLQKEVHAAKSAAIIAGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLAHTNSVVNPFIYAYRIREFRQTFRKIIRSHVADLEDNWETLNDNLKVIEKAD...
5OM4_3_k12
2
-7
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753
P0DTC1
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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QGPAKTMEEASKRSYQFWDTQPVPKLGEVVNTHGPVEPDKDNIRQEPYTLPQGFTWDALDLGDRGVLKELYTLLNENYVEDDDNMFRFDYSPEFLLWALRPPGWLPQWHCGVRVVSSRKLVGFISAIPANIHIYDTEKKMVEINFLCVHKKLRSKRVAPVLIREITRRVHLEGIFQAVYTAGVVLPKPVGTCRYWHRSLNPRKLIEVKFSHLSRNMTMQRTMKLYRLPETPKTAGLRPMETKDIPVVHQLLTRYLKQFHLTPVMSQEEVEHWFYPQENIIDTFVVENANGEVTDFLSFYTLPSTIMNHPTHKSLKAAYSF...
7OWP_3_k12
0
-4.3
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12374
P14779
[CH2][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][CH2][OH0][H]
OCCCCCCO
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VDLQSLPTRAYLDQTVVPILLQGMAVLAKERPPNPIEFLASYLLKNKAQFEDVDLQSLPTRAYLDQTVVPILLQGMAVLAKERPPNPIEFLASYLLKNKAQFEVDLQSLPTRAYLDQTVVPILLQGMAVLAKERPPNPIEFLASYLLKNKAQFE
3G36_1_k12
0
-4.1
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s720
A0A0A7EQR3
[CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][CH3][C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][Ring1][S]
CO[C@H]1[C@H](O)[C@@H](O)CO[C@@H]1C(=O)O
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GACGAIASTVPNYNNAKLPDPFTFANGTALRTKADWSCRRAEISALIQNYEAGTLPPKPPVVTASFSKSGNTGTLAITAGLSNSQTIKFSPTISYPSGTPPANGWPLIIAYEGGSIPIPAGVATLTYSNSDMAQQNSASSRGQGLFYQLYGSTHSASAMTAWVWGVSRIIDALEMTPTAQINTQRIGVTGCARDGKGALMAGAFEERIALTIPQESGSGGDACWRLSKYEIDNGNQVQDAVEIVGENVWFSTNFNNYVQKLPTVPEDHHLLAAMVAPRAMISFENTDYLWLSPMSSFGCMTAAHTVWQGLGIADSHGFAQ...
6RV9_3_k12
2
-5.6
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753
P30376
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5MER_2_k12
0
-2.6
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s515
Q9I5Q5
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][N][OH0][C@H1][Branch1][C][CH3][CH0][=Branch1][C][=OH0][OH0][H][C@@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][Branch1][C][CH3][=OH0][H][C@@H1][Branch1][Ring1][OH0][H][OH0][C@@H1][Ring2][Ring1][=Branch1][CH2][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H]
CC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)O)[C@@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1O
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MPRYLGLMSGTSLDGMDIVLIEQGDRTTLLASHYLPMPAGLREDILALCVPGPDEIARAAEVEQRWVALAAQGVRELLLQQQMSPDEVRAIGSHGQTIRHEPARHFTVQIGNPALLAELTGIDVVADFRRRDVAAGGQGAPLVPAFHQALFGDDDTSRAVLNIGGFSNVSLLSPGKPVRGFDCGPGNVLMDAWIHHQRGEHFDRDGAWAASGQVNHALLASLLADEFFAARGPKSTGRERFNLPWLQEHLARHPALPAADIQATLLELSARSISESLLDAQPDCEEVLVCGGGAFNTALMKRLAMLMPEARVASTDEYGI...
8C0U_3_k12
1
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101600275
Q8CM25
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5WS6_4_k12
1
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11852
Q0QLF5
[CH0][Branch1][C][BrH0][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][C][BrH0][=CH0][Branch1][C][BrH0][CH0][Branch1][C][BrH0][=CH0][Ring1][N][BrH0]
Oc1c(Br)c(Br)c(Br)c(Br)c1Br
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CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNP
1E4H_1_k12
0
-3.5
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8117
P29894
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6RUM_4_k12
0
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753
B3TLD6
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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8SK0_2_k12
0
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s648
Q57IS0
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7GAD_2_k12
0
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5288834
D0VWU3
[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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8EK7_2_k12
0
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3496
Q3Z3L4
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O=C(O)CNCP(=O)(O)O
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3FK1_2_k12
2
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4369116
P29473
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C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(N)N2
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4CWZ_3_k12
1
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8134
P37508
[OH0][Branch1][Branch1][CH2][CH2][OH0][CH3][CH2][CH2][OH0][H]
COCCOCCO
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8JSV_2_k12
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679
Q00526
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5RZH_3_k12
0
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s637
P28845
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4HX5_1_k12
1
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174
Q9UGP5
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdTnTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSpEvDqMfLaNpPhNpYsEvDvLsLvIvRpKdSdNqHvNsFiLwViQqArGpNpVdQtLwRrVfIdGdHwSdMdQqNaCrVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQdTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAtMqRfPpNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIqDdYpDrCyVtSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
7Q5F_2_k12
0
-2.3
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174
P10733
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
YdNdIcAcDpSdNpInAnNcLpGpThEpLvEvKlKvVvKlLlEvAvSlQvHpEaDvAvWcKvGvApGqKpQdVaGaVkEwIkWfRwIqQaQlFlKhVtVhPgVdPdKvKvHlHpGqSeFeYeTlGqDtSkYmIkVmLwSgTwYaHqPdKpTvNgPrDpKdLiAaYiDeViHeFiWeLhGhApFnThTdQpDsErAvGvTsAsAvYvKvTsVvEsLsDcDsYnLvGvGvLrPyVdQyYhRyEhVyQvGvYrEgSdEpRvFvLvSvLnFeGvGsLhRhIyLdDyGdGdVhEdTyGnFdHdHdVdEd
YNIADSNIANLGTELEKKVKLEASQHEDAWKGAGKQVGVEIWRIQQFKVVPVPKKHHGSFYTGDSYIVLSTYHPKTNPDKLAYDVHFWLGAFTTQDEAGTAAYKTVELDDYLGGLPVQYREVQGYESERFLSLFGGLRILDGGVETGFHHVE
8GT1_1_k12
0
-2.6
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
679
P0DTC1
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdTpTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCpTdSvEvDcMqLaNpPpNpYsEvDvLsLvIvRpKdSdNqHvNrFiLwViQgArGpNpVdQtLwRgVfIpGdHwSdMdQqNaCrVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQiCwAtMqRfPnNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIcDdYpDrCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSSGFRKMAFPSGKVEGCMVQ...
7GKC_1_k12
0
-2.7
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
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s451
P18670
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1GMR_1_k12
1
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176
P28623
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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4O7R_2_k12
0
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s450
P0DTD1
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8OSX_3_k12
1
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P42556
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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4CM1_4_k12
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8172
P00489
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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2Y24_4_k12
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2794620
P42556
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O=C(OCc1ccccc1)N1CCC(O)CC1
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7GSJ_2_k12
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P49356
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151809
P00883
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753
P0DOX8
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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QVQLLGSGPGLVKPSETLSLTCTVSGASISSPGYYWGFIRQSPGKGLEWIGSMVSGGTTYYNPSLKSRVTISMDMSNNQFSLRLNSVTAADTALYYCARGSRQLVRRATIDYWGQGALFTVSPASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSVLTGPPSVSAGPGQQVFISCSGNSSNIGNNYVSWYQQLPGTAPKLLIYDSNKRPSGIPDRFSGSKSGTSATLGITGLQTGDEADYYCGTWDSSLSAGVFGG...
8SGA_3_k12
0
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444205
O43148
[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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5XL1_1_k12
0
-4.1
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6027
P12562
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][Ring1][=C]
O[C@@H]1[C@@H](O)[C@@H](O)OC[C@H]1O
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EASVSIDAKFKAHGKKYLGTIGDQYTLTKNTKNPAIIKADFGQLTPENSMKWDATEPNRGQFTFSGSDYLVNFAQSNGKLIRGHTLVWHSQLPGWVSSITDKNTLISVLKNHITTVMTRYKGKIYAWDVLNEIFNEDGSLRNSVFYNVIGEDYVRIAFETARSVDPNAKLYINDYNLDSAGYSKVNGMVSHVKKWLAAGIPIDGIGSQTHLGAGAGSAVAGALNALASAGTKEIAITELDIAGASSTDYVNVVNACLNQAKCVGITVWGVADPDSWRSSSSPLLFDGNYNPKAAYNAIANAL
1B3W_1_k12
2
-5.7
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3WUZ_2_k12
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174
Q8K183
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5WHW_1_k12
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753
P84751
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7F2S_2_k12
0
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4797
P00940
[CH2][Branch1][O][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][OH0][H]
O=C(COP(=O)(O)O)NO
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1TPW_1_k12
2
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1176
371740
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NC(N)=O
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3P06_3_k12
0
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s2
G0S7B6
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OCCN1CCN(CCS(O)(O)O)CC1
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5HAZ_1_k12
0
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174
P0C0Y9
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7U8Z_2_k12
0
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Q9H2K2
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4BUV_1_k12
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8200
P49841
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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7D0M_2_k12
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s115
P42212
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C[C@@H](O)[C@H](N)C1NC(Cc2ccc(N)cc2)=C(O)N1CC=O
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4J89_3_k12
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444205
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5HMG_1_k12
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92824
Q81X75
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O=C(O)C[C@@H](O)C(=O)O
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6HN0_3_k12
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444205
P03392
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1LCS_3_k12
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174
P15291
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3H9E_1_k12
0
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753
999794
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2YIZ_4_k12
0
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439709
P12497
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OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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2HHX_2_k12
0
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753
E9QYP0
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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1N6X_2_k12
0
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753
O60885
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5OYD_1_k12
0
-2.8
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444205
P0DTH5
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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CRHLLHLAIQRHPHFRGLFNLSIPVLLWGDLFTPALWDRLSQHKAPYGWRGLSHQVIASTLSLLNGSESAKLFAPCIRCAVVGNGGILNGSRQGPNIDAHDYVFRLNGAVIKGFERDVGTKTSFYGFTVNTMKNSLVSYWNLGFTSVPQGQDLQYIFIPSDIRDYVMLRSAILGVPVPEGLDKGDRPHAYFGPEASASKFKLLHPDFISYLTERFLKSKLINYMPSTGALMLLTALHTCDQVSAYGFITSNYWKFSDHYFERKMKPLIFYANHDLSLEAALWRDLHKAGILQLYQR
6APJ_1_k12
0
-4.8
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s574
P0DTC1
[CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][CH0][=Branch1][=Branch2][=CH1][NH0][Branch1][C][H][CH2][Ring1][#Branch2][NH0][Branch1][P][CH0][=Branch1][C][=OH0][CH2][CH0][=CH1][CH0][Branch1][C][ClH0][=CH1][CH1][=CH1][Ring1][#Branch1][CH2][CH2][CH2][Ring2][Ring1][Ring2]
NC1=C2CCCN(C(=O)Cc3cccc(Cl)c3)C2=CNC1
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSpEvDcMqLaNpPhNpYsEvDvLsLcIvRpKdSdNqHvNrFiLwViQqArGpNnVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPgSdGdViYgQmCwAtMqRfPnNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYvDgCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GG8_2_k12
1
-7.1
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155815
O57767
[CH0][Branch1][Ring1][CH2][CH3][=CH0][Branch1][=C][CH0][=Branch1][C][=OH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][H][CH0][=CH0][Branch1][Branch2][OH0][CH2][CH0][Branch1][C][OH1][=OH0][CH1][=CH1][CH1][=CH0][Ring1][O][NH0][Ring2][Ring1][#Branch1][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1
SdLvVvEvLlGqKvMlIlLcQlEqTqGvKdNrPlVcTvSqYfGcAaYfGaCaNfCgGvVdLpGdRhGfKdPgKdDdAqTlDsRvClCrYvVvHlKvCvClYlKvKpLqTdDpCdNdPlKvKpDdRdYaSdYwSdWqKdNpKsTaIiVgCgGdEdNdNdApCrLrKrEsLsCvEvCsDsKnAsVsAsInCsLnRnEvNpLpDvTpYrNdKcKcYrKgNcNvYnLpKnPdFdCtDhKhAdLdPdCd
SLVELGKMILQETGKNPVTSYGAYGCNCGVLGRGKPKDATDRCCYVHKCCYKKLTDCNPKKDRYSYSWKNKTIVCGENNACLKELCECDKAVAICLRENLDTYNKKYKNNYLKPFCDKALPC
7LYE_1_k12
1
-8.7
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
s369
P47929
[CH1][Branch2][Ring1][#Branch1][NH0][Branch2][Ring1][C][CH0][=Branch1][C][=OH0][C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][CH2][CH2][CH2][Ring1][#Branch1][H][NH0][Branch1][C][H][CH0][Branch1][=Branch1][CH0][Branch1][C][CH3][=OH0][=CH0][Branch2][Ring1][Ring1][CH0][=CH1][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H]...
CC(=O)C1=C(C2=CC(N)=CNC2)SC(NC(=O)C2(N)CCC2)N1
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SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR
6HIB_1_k12
2
-6.9
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s133
P66011
[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](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
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TEIDFDIAIIGAGPAGMTAAVYASRANLKTVMIERGIPGGQMANTEEVENFPGFEMITGPDLSTKMFEHAKKFGAVYQYGDIKSVEDKGEYKVINFGNKELTAKAVIIATGAEYKKIGVPGEQELGGRGVSYCAVCDGAFFKNKRLFVIGGGDSAVEEGTFLTKFADKVTIVHRRDELRAQRILQDRAFKNDKIDFIWSHTLKSINEKDGKVGSVTLTSTKDGSEETHEADGVFIYIGMKPLTAPFKDLGITNDVGYIVTKDDMTTSVPGIFAAGDVRDKGLRQIVTATGDGSIAAQSAAEYIEHLNDQ
4GCM_4_k12
1
-9.8
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8134
F0M433
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][CH3]
COCCOCCO
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ARLNIGLIGSGFMGQAHADAYRRAAMFYPDLPKRPHLYALADQDQAMAERHAAKLGAEKAYGDWRELVNDPQVDVVDITSPNHLHYTMAMAAIAAGKHVYCEKPLAVNEQQAQEMAQAARRAGVKTMVAFNNIKTPAALLAKQIIARGDIGEPVRFRGTFDQGFYNDPNLPWSWRCSKTLGGSGALGDLGAHTLSVAQFLLGGIREVTASAQTCLRQRPVPAEWREVENDDQVQCLVNFDSGAAGVIEASRIAAGRIFGVFWEVSGTEGTLYMDGERFNELQVYRFNDDKHDRGFKTLYAGSQIPAYAGFFGFDFGGGGL...
4GQA_1_k12
0
-3.4
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753
P22303
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7E48_3_k12
0
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118
P56463
[CH2][Branch1][Ring2][CH2][CH1][=OH0][CH2][NH0][Branch1][C][H][H]
NCCCC=O
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1M1A_3_k12
0
-2.1
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44620967
P56817
[CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][C@][Branch1][C][CH3][Branch1][#Branch1][CH2][C@@H1][Branch1][C][CH3][CH3][CH0][=Branch1][C][=OH0][NH0][Ring1][#C][CH2][CH0][=CH1][CH1][=CH1][CH0][Branch1][C][ClH0][=CH1][Ring1][#Branch1]
CC(C)C[C@@]1(C)NC(N)N(Cc2cccc(Cl)c2)C1=O
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GSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDC...
3L5B_2_k12
1
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177
Q71U34
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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2PEG_1_k12
0
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439352
P0C6U8
[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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5GXG_1_k12
0
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24812721
P14340
[CH0][Branch2][Ring1][Branch1][NH0][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][CH0][=CH0][Ring1][=Branch2][CH2][CH2][CH2][CH0][Ring1][=Branch1][=OH0][=CH1][CH0][Branch1][=Branch2][NH0][Branch1][C][H][CH2][CH2][OH0][CH3][=CH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][CH1][=CH1][Ring...
COCCNc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)=O
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3D0B_1_k12
1
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444205
Q9KEI9
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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4WBH_1_k12
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8117
Q9W0Y8
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5MIP_1_k12
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1567
P51955
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1L26_1_k12
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