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
753
P23526
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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EPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL
3AF3_1_k12
0
-2.8
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s749
Q60737
[CH1][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH0][CH0][=Branch1][Ring2][=CH1][Ring1][Branch2][NH0][CH1][Branch2][Ring1][S][C@H1][Branch1][O][C@@H1][Branch1][C][CH3][CH0][=Branch1][C][=OH0][OH0][CH3][NH0][Branch1][C][H][C@@H1][Ring1][#C][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1][NH0][Branch1][C]...
COC(=O)[C@H](C)[C@@H]1N[C@H](c2ccc(Cl)cc2)c2cc(OC)ccc2N2C(C)NNC12
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5O39_2_k12
1
-8.9
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174
Q12657
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
AdFdKdPfGlDfLwVkFfAfKdMdKpGpYdPaHrWfPtAwRtIfDhKvPaPdPpNqKwYtPwIiFqFgFaGqTvHrEdTiAdFtLhGhPpKvDgLiFgPgYcDvKvScKcDvKpYrGvKdPdNdKdRpKhGrFrNvErGrLsWcEcIvQvNpNpPsHpAdSdYd
AFKPGDLVFAKMKGYPHWPARIDKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASY
7HGZ_1_k12
0
-2.5
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92135
Q9X6U2
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][C@@H1][Branch1][C][CH3][OH0][H]
C[C@@H](O)CC(=O)O
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MLKGKKAVVTGSTSGIGLAMATELAKAGADVVINGFGQPEDIERERSTLESKFGVKAYYLNADLSDAQATRDFIAKAAEALGGLDILVNNAGIQHTAPIEEFPVDKWNAIIALNLSAVFHGTAAALPIMQKQGWGRIINIASAHGLVASVNKSAYVAAKHGVVGLTKVTALENAGKGITCNAICPGWVRTPLVEKQIEAISQQKGIDIEAAARELLAEKQPSLQFVTPEQLGGAAVFLSSAAADQMTGTTLSLDGGWTAR
3VDR_4_k12
0
-4.4
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59336911
P50172
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5PGZ_2_k12
1
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6323324
P79800
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1HBV_1_k12
1
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679
Q97W02
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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8GFL_1_k12
0
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8117
Q9Z2V5
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMVLPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
8UH9_2_k12
0
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159055
O34340
[OH0][=CH0][C@][Branch1][C][CH3][CH2][CH2][C@H1][Branch1][Ring2][CH2][Ring1][#Branch1][C@@][Ring1][#Branch1][Branch1][C][CH3][CH3]
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
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NLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESNVPDLVWTRCNGGHWIATRGQLIREAYEDYRHFSSECPFIPRAYDFIPTSMDPPEQRQFRALANQVVGMPVVDKLENRIQELACSLIESLRPQGQCNFTEDYAEPFPIRIFMLLAGLPEEDIPHLKYLTDQMTRPDGSMTFAEAKEALYDYLIPIIEQRRQKPGTDAISIVANGQVNGRPITSDEAKRMCGLLLVGGLDTVVNFLSFSMEFLAKSPEHRQELIERPERIPAACEELLRRFSLVADGRILTSDYEFHGVQLKKGDQILLPQMLSGLDERENA...
3WRI_1_k12
2
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444205
Q838S2
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5288834
P9WP55
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2Q3B_1_k12
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6503
P01920
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
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6DIG_2_k12
0
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679
Q12051
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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8BTI_4_k12
0
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56844266
Q9FWA3
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4RYN_1_k12
0
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8200
P9WQD9
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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5LD8_2_k12
0
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174
P11880
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8F14_1_k12
0
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892
P11838
[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][Ring1][OH0][H][C@H1][Ring1][S][OH0][H]
O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
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1AOD_1_k12
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753
P0A038
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5YDD_2_k12
0
-2.8
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174
P22303
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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EDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG...
5HF5_3_k12
0
-3
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174
C3LLP9
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5EJL_2_k12
0
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867
Q8RX71
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CC(=O)O
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4HWH_3_k12
0
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753
Q28943
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5E2V_1_k12
0
-2.3
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s769
P29717
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3SZ0_1_k12
2
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177
P02699
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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8A6E_4_k12
0
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174
Q04771
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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RTVARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKIDVARDITLLECVGKGRYGEVWRG...
3Q4U_1_k12
0
-3.3
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12000813
Q16651
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4CQR_6_k12
2
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321710
P0DTC1
[OH0][=CH0][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][NH0][Ring1][=Branch2][H]
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5RUX_1_k12
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Q3Z3L4
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1X8R_1_k12
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767
C3LNA0
[CH0][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H]
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5LBC_1_k12
0
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s387
P9WQP5
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NC1=C2NCN([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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8HLK_2_k12
1
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174
Q8IXJ6
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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ERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQ
8QOO_3_k12
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174
P22303
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4LX1_3_k12
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7852
P00509
[NH0][Branch1][C][H][Branch1][C][H][CH2][CH2][CH3]
CCCN
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RVLKSTEMSIGGSGENVLSVHPVLDDNSCLFHAIAYGIFKQDSVRDLREMVSKEVLNNPVKFNDAILDKPNKDYAQWILKMESWGGAIEIGIISDALAVAIYVVDIDAVKIEKFNEDKFDNYILILFNGIHYDSLTMNEFKTVFNKNQPESDDVLTAALQLASNLKQTGYSFMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRG
3BY4_1_k12
0
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4693938
O93779
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CCS(=O)(=O)Nc1ccccc1F
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7GP8_2_k12
0
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73424803
P02594
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NC[C@@H]1COc2cc(Cl)ccc2O1
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5OCG_3_k12
2
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s530
Q9K3S8
[CH2][Branch2][Ring1][Branch1][CH2][NH0][CH0][=Branch1][C][=SH0][NH0][Branch1][C][CH3][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][O][Ring1][=Branch1][SH0][CH1][NH0][Branch1][C][H][CH0][=CH0][Branch1][#Branch1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Ring1][#Branch2][H]
Cn1c(=S)n(CCSC2Nc3ccccc3N2)c2ccccc21
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3AQA_2_k12
1
-7.8
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87505
O95180
[C@H1][Branch2][Ring1][=Branch1][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][N][OH0][CH2][CH2][N@@+1][Branch1][C][CH3][Branch1][C][CH3][CH3][OH0][H][Branch2][Ring1][Ring1][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH...
CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
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GSHMYLRITNIVESSFFTKFIIYLIVLNGITMGLETSKTFMQSFGVYTTLFNQIVITIFTIEIILRIYVHRISFFKDPWSLFDFFVVAISLVPTSSGFPILRVLRVLRLFRLVTAVPQMRKIVSALISVIPGMLSVIALMTLFFYIFAIMATQLFGERFPEWFGTLGESFYTLFQVMTLESWSMGIVRPLMEVYPYAWVFFIPFIFVVTFVMINLVVAIIVDAMAILNQKEEQHIIDEVQ
8DIW_2_k12
0
-4.4
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11146
P00396
[C@@H1][Branch2][Ring1][Branch2][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][Branch2][Ring1][Branch2][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH0][=Branch1][C][=...
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
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5Z86_8_k12
2
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s711
P0A017
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TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRK
7T7S_1_k12
1
-11.7
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174
P11838
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
4YD4_3_k12
0
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444205
P25440
[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
EdLaPwSdLwCdMaLqNdNaSfFwYiYkMtRhGlGpVpNwTiFkLtIkRgVkSdDlIdSpVpLdMdKdEpYvDfVdSfIaYqEdPlEvDsLqGcNqCqLdNvKdSpDsSvSsWvAnIvHvWcFlScNvAlLqGpHdDdWsLvMpDdPgPtMwLtCwRdNgKpTvKdKlEqGaSgNkItQkFdNfIlSaKlAaDpDpAnRvVpYvGvKvKrIsRqNvGsMcRcHvLvFdRvGpFyHdDnPpCdEdEhGnKgVtCmYmLmTmImNgQiCpGpDgPpSnScFpDcYcCsGpVvNvHvLvSvKvCdQd
ELPSLCMLNNSFYYMRGGVNTFLIRVSDISVLMKEYDVSIYEPEDLGNCLNKSDSSWAIHWFSNALGHDWLMDPPMLCRNKTKKEGSNIQFNISKADDARVYGKKIRNGMRHLFRGFHDPCEEGKVCYLTINQCGDPSSFDYCGVNHLSKCQ
5W1M_1_k12
0
-4.8
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134821708
P00338
[CH0][Branch1][=N][SH0][CH0][=CH0][Branch1][C][ClH0][CH1][=CH1][CH1][=CH1][Ring1][#Branch1][=CH0][Branch1][Ring1][OH0][H][CH2][C@][Branch1][Branch2][CH0][=CH1][SH0][CH1][=CH1][Ring1][Branch1][Branch1][S][CH0][=CH1][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH1][=CH1][Ring1][=Branch2][OH0][CH0][Ring2][Ring1][...
Nc1cccc([C@@]2(c3ccsc3)CC(O)=C(Sc3ccccc3Cl)C(=O)O2)c1
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ATLKDQLIYNLLKEEQTPQNKITVVGVGAVGMACAISILMKDLADELALVDVIEDKLKGEMMDLQHGSLFLRTPKIVSGKDYNVTANSKLVIITAGASRLNLVQRNVNIFKFIIPNVVKYSPNCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLGEHGDSSVPVWSGMNVAGVSLKTLHPDLGTDKDKEQWKEVHKQVVESAYEVIKLKGYTSWAIGLSVADLAESIMKNLRRVHPVSTMIKGLYGIKDDVFLSVPCILGQNGISDLVKVTLTSEEEARLKKSADTLWGIQ...
6MVA_2_k12
1
-7.8
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445184
Q05031
[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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DGRPLAAAGIVVTGDKAVNIYTSSQTGSIIIKLLPNMPKDKEACAKAPLEAYNRTLTTLLTPLGDSIRRIQESGLSQLAVAVGKMQQFVNDQFNKTAQELDCIKITQQVGVELNLYLTELTTVFGPQITSPALTQLTIQALYNLAGGNMDYLLTKLGVGNNQLSSLISSGLITGNPILYDSQTQLLGIQVTLPSVGNLNNMRATYLETLSVSTTKGFASALVPKVVTQVGSVIEELDTSYCIETDLDLYCTRIVTFPMSPGIYSCLSGNTSACMYSKTEGALTTPYMTLKGSVIANCKMTTCRCADPPGIISQNYGEAVS...
1G5G_2_k12
0
-3.8
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64689
Q8Y8D7
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OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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PHKSSLPEGIRPSTVLRIRGLVPPNASRFHVNLLCGEEQGSDAALHFNPRLDTSEVVFNSKEQGSWGREERGPGVPFQRGQPFEVLIIASDDGFKAVVGDAQYHHFRHRLPLARVRLVEVGGDVQLDSVRIF
6VTS_2_k12
0
-4
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s27
P28720
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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](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
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SNKISATGVLVELDGDEMTRVIWKKIKETLIFPFVNVPIEYYDLSMENRDKTEDRVTVEAAYAIKKHGVGVKCATITPDEARVKEFNLKKMWRSPNGTIRTILGGTVFREPIICSNVPRLVTTWKKPVVIGRHAFGDQYSATDAVVKEPGTFEMRFIPANGGEPKVYKVFDYKSGGVMMGMYNTDDSIRDFARSCFEFALARKWPLYLSTKNTILKHYDGRFKDIFAEMYKALYETKFKTCGIFYEHRLIDDMVAHCMRSEGGYVWACKNYDGDVQSDSLAQGFGSLGMMTSILMTPDGKTVEVEAAHGTVTRHYRDYQK...
6AJB_1_k12
1
-9.5
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8117
Q92835
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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5MN2_3_k12
0
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s19
Q2QLC0
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2WGJ_1_k12
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A0A0E4AFG7
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10442
P19146
[CH2][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
OCCCO
AdSqKdLpFcScNvLlFcGvNqKdEaMaReIeLeMeVeGeLaDpGpAlGcKvTvTlVlLvYvKlLvKvLqGaEdVwIdTwTdIpPpTdIpGpFwNiVwEtTwVgQdYhKrNrIySiFyTiVyWgDyVdGwGqQpDdRdIdRdSpLvWvRlHvYsYlRlNvThEqGaVyIeFyVgIgDnSqNaDdRpSvRcIlGlEtArRlEnVvMvQvRvMvLcNpEdDpEsLnRvNnAyVaWyLeVyFeAdNeKpQpDvLdPpEnAgMhSdAqAvEvIsTcEvKsLsGvLvHvSvIdRpNpRhPhWyFdIyQwSyTdCyAsTnSvGgEp...
ASKLFSNLFGNKEMRILMVGLDGAGKTTVLYKLKLGEVITTIPTIGFNVETVQYKNISFTVWDVGGQDRIRSLWRHYYRNTEGVIFVIDSNDRSRIGEAREVMQRMLNEDELRNAVWLVFANKQDLPEAMSAAEITEKLGLHSIRNRPWFIQSTCATSGEGLYEGLEWLSNNLKNQS
1MR3_2_k12
0
-3.2
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s97
P27487
[NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH0][=CH0][Branch1][Branch1][CH0][Ring1][O][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Ring1][=Branch2][C@@H1][OH0][C@H1][Branch1][O][CH2][OH0][P@@][Branch1][C][OH1][Branch1][C][OH1][=OH0][C@@H1][Branch1][Ring1][OH0][H][...
NC1NC(=O)c2[nH]c(=O)n([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c2N1
AdSaRfLeYkTeLfVeLwVqLdQaPpQfRkViLkLwGwMqKfKcRdGdFdGlAhGqRaWtNgGgFwGmGtKgVdQdEpGpEdTdIrEvDvGrArRqRvErLcQcEqEaSwGvLkTgVfDdAdLkHaKfVaGeQwIeVwFeEaFeVpGpEdPdEhLiMyDiVyHtVyFiCyTdDnSgIiQdGdTdPgVpEgShDnEtMtRdPmCdWmFdQtLpDvQgIdPpFcKvDrMhWqPvDcDcSvYpWcFvPvLvLvLsQvKrKfKgFkHyGkYyFfKyFdQhGpQrDhTdItLdDdYmTdLmRdEtVdDdTpVd
ASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV
3ZR0_1_k12
1
-8.5
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s389
P28720
[CH0][Branch1][=N][OH0][CH0][=CH1][CH1][=CH1][NH0][Branch1][C][H][CH2][Ring1][#Branch1][=CH1][CH1][=CH0][Branch1][#Branch2][CH2][N@+1][Branch1][C][CH3][Branch1][C][H][H][OH0][Ring2][Ring1][C]
C[NH2+]Cc1ccc(OC2=CC=CNC2)o1
RdPaRlFwSdFwSdIwAqAfRfEfGqKqAfRtTwGtTwIiEqMaKpRlGgViIaRtTwPlAaFeMaPqVeGqTeAqAlThVsKpAlLdKqPlEvTlVlRvAvTlGpAhDqIeIhLeGyNeTlYqHrLnMcLvRpPpGrAlEqRvIcAlKvLvGpGaLsHcSvFvMrGvWhDrRgPaIyLaTyDeSqGnGqYvQvVqMvSlKpQqSdElEqGfVdTwFdKaSdHpLpDhGgSdRiHdMtLgSgPqElRvSsIlEvIsQcHvLsLnGvSgDaIeVyMeAqFdDaEdCaTdPaYpPpAdTdPqSvRsAqAlSvSrMlEvRsSl...
RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSKQSEEGVTFKSHLDGSRHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLI...
6FSO_5_k12
0
-4.7
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5289581
Q8NPA9
[NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][C@@H1][Branch1][Ring1][OH0][H][CH2][CH2][CH2][Ring1][#Branch2]
O=C1NCCC[C@@H]1O
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1OD8_1_k12
2
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8172
P04058
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGV...
6H12_7_k12
0
-3.2
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s196
P0DTC1
[SH0][CH1][=CH0][Branch2][Ring1][O][CH1][=CH1][C@H1][Branch1][Ring1][OH0][CH3][C@@H1][Branch1][C][CH3][CH0][=Branch1][O][=CH1][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][OH0][CH3][NH0][Branch1][C][H][C@@H1][Ring2][Ring1][=Branch1][CH0][=CH1][SH0][CH1][Branch1][=C][C@@H1][Branch1][C][CH3][CH1][=CH1][CH1][=CH1]...
COC(=CC(N)=O)[C@H](C)[C@H](C=CC1=CS[C@@H](C2=CSC([C@@H](C)C=CC=CC(C)C)N2)N1)OC
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TGVENSGAGPTSFKTMKVIDPQHSDKPNVLILGSGWGAISFLKHIDTKKYNVSIISPRSYFLFTPLLPSAPVGTVDEKSIIEPIVNFALKKKGNVTYYEAEATSINPDRNTVTIKSLSAPAEIKYDYLISAVGAEPNTFGIPGVTDYGHFLKEIPNSLEIRRTFAANLEKANLLPKGDPERRRLLSIVVVGGGPTGVEAAGELQDYVHQDLRKFLPALAEEVQIHLVEALPIVLNMFEKKLSSYAQSHLENTSIKVHLRTAVAKVEEKQLLAKTKHEDGKITEETIPYGTLIWATGNKARPVITDLFKKIPEQNSSKRGL...
5YJX_2_k12
1
-8.2
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62551
Q6FCH1
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s492
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1UEV_1_k12
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753
Q59994
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8D5S_1_k12
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753
P35963
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdMqPdEpDvLlDvAvLvLcDvLvAcAvRvHqGvLfDaLwDdGsGvTaLwRdTfEdEdIdGdLpDfFwRtVwAiFwAtRaAgHpDvGgGfDiWkViLkRtLaPgRpRdPlDvVcLqEvRlAvAqVlEvGqRlLlLqAvMvLcAqPvHqLfDqVaAhVePfDdWqRpIdSdTdSsEgLiItAmYgPtLdLfPdGfSaPqGqLwTdVqAdApDvGrEdViSgWgHdVdDaMlAqSdTlVqYlAlRlSqLlGlSqVrVlAlQsLqHqApVpDdAvEvAsAsAvAvTsGvIaEaVeRdSwPqAvQrVqRlGvAvWlRvQvDlLv...
GMPEDLDALLDLAARHGLDLDGGTLRTEEIGLDFRVAFARAHDGGDWVLRLPRRPDVLERAAVEGRLLAMLAPHLDVAVPDWRISTSELIAYPLLPGSPGLTVAADGEVSWHVDMASTVYARSLGSVVAQLHAVDAEAAAATGIEVRSPAQVRGAWRQDLARVGAEFEIAPALRERWEAWLADDGCWPGHSVLTHGELYPAHTLVEDERITAVLDWTTAAVGDPAKDLMFHQVSAPSAIFEVALQAYAEGGGRPWPGLARHCTEMFSAAPLGYGLYALATGEAAHREAAAAALNPP
5UXC_2_k12
0
-3.3
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38154784
506288
[NH0][Branch1][P][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][C@@H1][OH0][CH2][CH2][CH2][Ring1][Branch1][Branch1][C][H][C@H1][CH2][CH2][CH2][CH2][Ring1][Branch1]
O=C(NC[C@H]1CCCO1)NC1CCCC1
VdEvEvAlQlQvKqTlIlEvAqIvTlKvAlIlNvYvMcAlKvRvRlIqGkAaLkLeTkIeEaRdDpTdGdMdGvDvYqIlEvTqGfIaPaLdNqAaKaVgSgSnEvLvLsInNvIqFcIdPpNpTdPpLfHnDaGaAhVfIyMdKyNpNrEgIgAgAgAtAnCtYfLaPdLfSaEpSdPpFpIdSpKpEvLdGdTrRrHvRrArAqVlGrInSqEcVvThDqSmLkTmIwIiVqSgEsEvTrGsGwViSwViAhKhNnGnDdLiHgRtErLdTdEsEvArLsKsEvMvLsEvAvEd
VEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAE
8OHO_1_k12
2
-5.6
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[0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0]
[0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0]
119
P21836
[CH2][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][NH0][Branch1][C][H][H]
NCCCC(=O)O
EdDdLpNcFqRqKvGaDdApKnThDdVlFvGsShDpRvMvLvQdPdSdPdVdEdRdIdPdDpGdPdThTdPpEvVnAvYvQcMvVvKvDvEvTvFpApQaTfQdPqRlLqNaLqAlTdFlVfTfTpYdMdDdDpYvAlTvKvLlMlNvEvAqIqNpIpNwYqIlDvEcTvEvYvPvRvIlAlVvMlNqGqKvClIqNqIvVlAcNvLlWqNvSqPpEeKpDdTpWrKfTaGkAdLkAfIqGfSvSlEfAqCvMlLqGlGvVvAlAlWlLvRvWlRvKvKvRcQvAvQvGvKhPdFaDdKaPaNeFeVeIeSaTlGlFdQd...
EDLNFRKGDAKTDVFGSDRMLQPSPVERIPDGPTTPEVAYQMVKDETFAQTQPRLNLATFVTTYMDDYATKLMNEAININYIDETEYPRIAVMNGKCINIVANLWNSPEKDTWKTGALAIGSSEACMLGGVAAWLRWRKKRQAQGKPFDKPNFVISTGFQVVWEKFAQLWQIEMREVPLTLEKTTLDPEEALKMCDENTICVVPIQGVTWTGLNDDVEALDKALDAYNAKTGYDIPIHVDAASGGFILPFLYPDTKWDFRLKWVLSISVSGHKFGLVYPGLGWVCWKGKEYLPEEMSFSVNYLGANITQVGLNFSRPAAQ...
7X4Y_2_k12
0
-4.4
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s711
P0A2K1
[CH1][=CH0][CH0][=Branch1][Branch2][=CH1][CH1][=CH0][Ring1][=Branch1][OH0][CH3][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH0][Branch1][#Branch1][OH0][C@@H1][Branch1][C][CH3][CH3][CH2][CH0][Ring1][#Branch2][=CH0][Ring2][Ring1][Ring2][SH0][CH2][C@@H1][CH2][CH2][NH0][Branch1][C][H][CH2][CH2][Ring1][#Branch1]
COc1ccc2c(c1)C(SCC1CCNCC1)=C1CC(OC(C)C)=CC=C1N2
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7DHO_1_k12
1
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s677
P03369
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CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=CC=C2C=CC=CC2N1
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PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKAIGTVLVGPTPTNVIGRNLLTQIGCTLNFPQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKAIGTVLVGPTPTNVIGRNLLTQIGCTLNF
3EL4_2_k12
1
-12
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177
P04629
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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SSLSPTDACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPDKMLVAVKALKESESARQDFQREAELLTMLQHQHIVRFFGVCTEGRPLLMVFEYMRHGDLNRFLRSHGPDAGEDVAPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVVKIGDFGMSRDIYSTDYYRVGGRTMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHARLQALAQAPPVYLDVLG
5KML_1_k12
0
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s755
P52895
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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=C(N2)C(O)NC(=O)N1
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4U2S_1_k12
1
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s989
Q5IS73
[CH1][=CH0][Branch1][Ring1][OH0][CH3][CH0][Branch1][Ring1][OH0][CH3][=CH1][CH0][=CH0][Branch1][S][NH0][Branch1][C][H][C@@H1][CH2][CH2][NH0][Branch1][C][CH3][CH2][CH2][Ring1][#Branch1][NH0][Branch1][C][H][CH1][Branch1][Branch2][NH0][Branch1][C][CH3][CH2][CH2][CH3][NH0][Branch1][C][H][CH1][Ring2][Ring1][=C][Ring2][Ring1]...
CCCN(C)C1NC(NC2CCN(C)CC2)=C2C=C(OC)C(OC)=CC2N1
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TEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLA
5VSC_1_k12
1
-7.7
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s98
Q8DIF8
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4BQI_4_k12
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Q5R5H1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6FCD_1_k12
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679
P02699
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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8C1D_3_k12
0
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s148
A4J5U0
[C@@H1][Branch1][N][CH2][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch1][P][NH0][CH2][CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH1][=CH1][Ring1][#Branch2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][Branch2][OH0][H]
O=C(O)C1=CC=CN([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1
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MERAEILGVGTELLYGETLDTNTAEIARSLKPYALKVERTLRVADEVAPLAREVEEAFARARLVVLSGGLGPTPDDVTREAVALALGEPLELDEAVLGEIEAFFRARGRAMPEANRKQAMRIPSATWLKNPRGTAPGWWVRKGGKDLVLLPGPPPEWRPMWQEVLPRLGLPRRPYAERVLKTWGIGESEIVERLGPLFVREEEVEVGTYPKVHGVEVVVRGREDRVAELAERIKKKLLKEVWGEGEMTLAEAVKRRMEREGATLSTMESLTGGLLGAEITRVPGASRFYLGGVVSYSVGAKARFGVPQDLLSRTVSAETA...
4UOC_1_k12
1
-8
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445184
I6Y9J2
[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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RVLDVEVYSSRSKVYVAVDGTTVLEDEAREQGRGIHVIVLNQATGHVMAKRVFDTYSPHEDEAMVLFLNMVAPGRVLICTVKDEGSFHLKDTAKALLRSLGSQAGPALGWRDTWAFVGRKGGPVFGEKHSKSPALSSWGDPVLLKTDVPLSSAEEAECHWADTELNRRRRRFCSKVEGYGSVCSCKDPTPIEFSPDPLPDNKVLNVPVAVIAGNRPNYLYRMLRSLLSAQGVSPQMITVFIDGYYEEPMDVVALFGLRGIQHTPISIKNARVSQHYKASLTATFNLFPEAKFAVVLEEDLDIAVDFFSFLSQSIHLLEED...
5GGI_1_k12
2
-5.1
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s316
P20813
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5UFG_1_k12
1
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753
P9WPA7
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2ZSA_1_k12
0
-3.3
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64960
Q6J8F6
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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4D5B_2_k12
0
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8172
Q9WYN2
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
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6DPE_2_k12
0
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12389
P31224
[CH2][Branch1][#Branch1][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
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4DX5_11_k12
0
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s704
G2Q4H7
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CNC(NC)NC1CCN(c2cc(OC)cc(OC)c2)CC1
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7B7G_2_k12
1
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s480
Q9ZLT0
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3SU0_1_k12
1
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176
P29474
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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8DDB_1_k12
0
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444205
P43490
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5JKC_1_k12
0
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753
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7F3B_1_k12
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90655273
P31356
[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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MVLYFIGLGLYDERDITVKGLEIAKRCDYVFAEFYTSLMAGTTLGRIQKLIGKEIRVLSREDVELNFENIVLPLAKENDVAFLTPGDPLVATTHAELRIRAKRAGVESYVIHAPSIYSAVGITGLHIYKFGKSATVAYPEGNWFPTSYYDVIKENAERGLHTLLFLDIKAEKRMYMTANEAMELLLKVEDMKKGGVFTDDTLVVVLARAGSLNPTIRAGYVKDLIREDFGDPPHILIVPGKLHIVEAEYLVEIAGAPREILRVNV
2DSG_2_k12
2
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445184
P29400
[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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6I5V_1_k12
2
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s572
P06276
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5564
O24990
[ClH0][CH0][=CH1][CH1][=CH0][Branch1][=C][OH0][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH0][Ring1][#Branch1][ClH0][CH0][Branch1][Ring1][OH0][H][=CH1][Ring1][P]
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
GdFqLqKaGvKaKeGeLeIqVeGdVqAqNaNcKqStIlAsYlGlIqAlQvSlClFlNvQvGhAyTaLyAaFyTeYaLaNdEvSvLsEvKvRhVvRvPvIsAqQvEvLsNvSyPpYhVyYyEyLdDnVlSvKdEvEvHsFlKvSvLvYlNvSrVcKcKvDvLpGvSaLhDqFeIyVeHaSeVwAfFdAfPdKlEvAqLqEaGdSaLlLvEpTdSdKpSvArFlNvTvAgMqErIgSqVaYvSsLlIvEsLnTcNvTsLrKvPvLrLhNaNaGqAgSeVyLeTyLeSaYaLpGlSlTvKdYpMdArHsYcNhVsMnGnLvAn...
GFLKGKKGLIVGVANNKSIAYGIAQSCFNQGATLAFTYLNESLEKRVRPIAQELNSPYVYELDVSKEEHFKSLYNSVKKDLGSLDFIVHSVAFAPKEALEGSLLETSKSAFNTAMEISVYSLIELTNTLKPLLNNGASVLTLSYLGSTKYMAHYNVMGLAKAALESAVRYLAVDLGKHHIRVNALSAGPIRTLASSGIADFRMILKWNEINAPLRKNVSLEEVGNAGMYLLSSLSSGVSGEVHFVDAGYHVMGMGAVEEKDNKATLLWDLHKEQ
2PD3_1_k12
1
-7.5
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s171
Q9W138
[C@@H1][Branch2][Ring1][Ring1][CH2][SH0][CH2][CH2][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Ring1][O][NH0][Branch1][C][H][CH2][Ring1][#C][C@H...
NC1=C2NCN([C@@H]3O[C@@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)C2NCN1
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ELQARSRIKWAIDYITKYFFTEGIYLQKRQREQRLLESYRAEGKLGEVQCRLMEEPPDRLHVLDVGSCFNPFSSAPHLEVTALDLCPATEDVLQADFLKVEVVPGIREPELEEGSVRRLPASHYECVIFSLLLEYMPSAEQRLQCCLQAYDLLLPEGILVLITPDKNWRYSLARIGLLRVRFEKLPHISCMVFRKAISRELSQHWASIHR
7VKQ_1_k12
1
-7.8
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s438
Q27797
[NH0][Branch2][Ring2][Branch1][CH2][CH2][CH2][NH0][Branch2][Ring1][=N][CH0][=Branch1][C][=OH0][CH2][CH2][CH0][Branch2][Ring1][C][NH0][Branch1][C][H][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][NH0][Branch1][C][H][H][=OH0][H][CH1][=CH1][CH0][Branch2][Ring1][N][CH2][C@H1][SH0][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1...
NCCOCCOCCNC(=O)CCC(=O)NCCCN1C=CC(C[C@H]2Sc3ccccc3N2CCCS(O)(O)O)=C2C=CC=CC21
VdQdLkVdEkSdEaAaEdVeKdKePaGqSfSkVdKkViSkCiKaAdSdGdGdTqFlSlSqYwAkIkSwWkVwRwQdAaPpGpQfGdLiEdWtMaGwGiTaIhPhIpFvGrTdAiDdYgAqQvEvFqQvGvRfVwTdIwThTaDdEnSvTrSrTmAiYmMiEmLgSgGrLdRdSqEvDpTfAtVfYmYkCiVkLiLwGhTaTdMdVpTvGgHhYiFdDiYgWiGdQlGtThLgVyTgVyScNaFdMaLwTaQwPdPaSeAdSeGdTaPaGqQaSkVdTkItSkCtSaGdSaGcSqNkIpGvNpNwKwVkNwWkYwQwQaLd...
VQLVESEAEVKKPGSSVKVSCKASGGTFSSYAISWVRQAPGQGLEWMGGTIPIFGTADYAQEFQGRVTITTDESTSTAYMELSGLRSEDTAVYYCVLLGTTMVTGHYFDYWGQGTLVTVSNFMLTQPPSASGTPGQSVTISCSGSGSNIGNNKVNWYQQLPGTAPKLLIYSNNQRPSGVPDRFSGSKSGTSASLAISGLQSEDEADYYCAAWDDGLSGYVFGTGTKLTVLAAS
5J74_1_k12
1
-8.1
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7H22_1_k12
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3776
P40332
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2TLI_2_k12
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444205
O96013
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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6Y5M_1_k12
2
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753
Q5R774
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8PKX_2_k12
0
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8117
P0C0Y9
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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3QVQ_1_k12
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90655273
P62594
[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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HPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRIDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPVAMATTLRKLLTGELLTLASRQQLIDWMEADKAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHWAAA
4ZJ1_2_k12
2
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