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
176
P29476
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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5ADC_2_k12
0
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16122525
P0A2K1
[CH0][Branch1][P][NH0][Branch1][C][H][CH2][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch1][#Branch2][OH0][C@@][Branch1][C][FH0][Branch1][C][FH0][FH0][CH1][=CH1][Ring1][O]
O=C(NCCOP(=O)(O)O)c1ccc(OC(F)(F)F)cc1
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4ZQC_1_k12
1
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s132
P21836
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O=C1NCNc2c(Sc3ccc(Oc4c(F)c(F)c(F)c(F)c4F)cc3C=CP(=O)(O)O)c[nH]c21
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7ZSO_1_k12
1
-12.7
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444205
P01857
[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
EdLdLdGdGdPkSdVkFdLkFdPfPfKaPlKvDqTlLqMdIpSvRhTwPtEkViTkCmVkViVwDpVaSaHpEvDwPnEdVkKdFkNfWkYdVfDpGnVdEtVdHdNpAwKpTwKdPdRwEdEqQdYpNvSgTiYiRmVtVmSiVmLdTtVdLdHsQvDcWqLvNvGwKtEkYmKkCiKwVmSdNtKpApLdPpAhPtIdEmKdTiIdSgKpAdKdGdQdPwRwEaPwQdVkYdTkLdPfPfSdRpDvEqLlTpKdNfQkVtSkLiTkCiLkVtKwGdFtYpPdSqDrIkAdVkEfWkEdSfNpGhQdPtEaNdNqYkKd...
ELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS
7URU_2_k12
0
-3.8
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s356
Q8VYP9
[OH0][=CH0][Branch1][P][NH0][Branch1][C][H][CH0][=CH1][NH0][Branch1][C][H][CH2][CH1][=CH0][Ring1][#Branch1][CH3][CH2][NH0][CH1][=CH1][CH0][=CH0][Ring1][Branch1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1]
CC1=CCNC=C1NC(=O)Cn1ccc2ccc(Cl)cc21
SdGaFdRdKqMdAaFdPdScGpKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCpTdSlEvDcMqLaNpPhNdYsEvDvLsLcIvRvKdSdNqHvNrFiLwViQaArGpNhVdQtLwRrVfIpGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAtMqRfPnNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GCN_2_k12
1
-7.2
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
54294271
P50052
[CH2][Branch2][Ring1][C][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][CH2][CH2][CH2][CH1][=CH1][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO
CdPfSlDvKvHaLdDpAvIlPlIvLlYlYvIvIlFlVvIlGlFlLvVlNlIvVcVlVvTvLvFvCcQdKdGdPdKdKaVlSlSnIvYlIsFvNlLlAsVvAlDlLnLqLlLsAvTcLsPnLvWvAsTvYcYsSvYvRsYqDfWhLdFpGdPfVvMcClKlVvFvGvSlFsLnTqLlNsMlFlAlSnIlFvFsIlTlCvMnSlVvDvRlYlQcScVlIvYpPvFpLvSrQvRvRdNdPpWcQpAsSvYpIvVvPvLvVsWsCvMvAsCvLvSlSsLpPqTsFnYvFfRqDgVwRdTaIdEvYvLrGrVhNtAhCgIdMgAr...
CPSDKHLDAIPILYYIIFVIGFLVNIVVVTLFCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYIVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALAWMGVINSCEVIAVIDLALPFAILLGFTNSCVNPFLYFVGNRFQQKLRSVFRGSGSADLEDNWETLNDNLKVIEKAD...
7JNI_1_k12
0
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5PVD_1_k12
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8117
Q1M7F4
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6AZS_4_k12
0
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174
P15647
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7C7M_1_k12
0
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6503
P68136
[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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1MDU_1_k12
0
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s221
P42212
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753
P9WMC1
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8117
Q86W56
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
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7KJ6_2_k12
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24748044
P49187
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2XPU_1_k12
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439230
C5A7L8
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C[C@@](O)(CCO)CC(=O)O
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2HFU_1_k12
0
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3776
Q08011
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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4PQX_3_k12
0
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174
P00800
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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GDTAVLVLAAGPGTRMRSDTPKVLHTLAGRSMLSHVLHAIAKLAPQRLIVVLGHDHQRIAPLVGELADTLGRTIDVALQDRPLGTGHAVLCGLSALPDDYAGNVVVTSGDTPLLDADTLADLIATHRAVSAAVTVLTTTLDDPFGYGRILRTQDHEVMAIVEQTDATPSQREIREVNAGVYAFDIAALRSALSRLSSNNAQQELYLTDVIAILRSDGQTVHASHVDDSALVAGVNNRVQLAELASELNRRVVAAHQLAGVTVVDPATTWIDVDVTIGRDTVIHPGTQLLGRTQIGGRCVVGPDTTLTDVAVGDGASVVRT...
6GE9_2_k12
0
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4369116
P29475
[NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][=CH0][Ring1][N][NH0][Branch1][C][H][CH2][C@H1][Branch1][N][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][H][NH0][Ring1][=C][H]
C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(N)N2
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CPRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPDVATKDQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILEEVAKKMNLDMRKTSSL...
6AV3_2_k12
1
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38282
P58154
[C@][Branch1][Ring1][OH0][H][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1][CH2][CH2][NH0][Branch1][C][H][CH2][CH2][Ring1][S]
OC1(c2ccc(Cl)cc2)CCNCC1
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LDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKGLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLARVVSDGEVLYMPSIR...
8P11_2_k12
1
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176
O60885
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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SMGESRVILAFGDSLFAGYGLDKGESYPAKLETALRSHGINARIINAGVSGDTTAAGLQRIKFVLDSQPDKPELAIVELGGNDLLRGLSPAEARQNLSGILEELQRRKIPILLMGMRAPPNLGAKYQREFDGIYPYLAEKYDAKLVPFFLEAVADRPDLIQKAHVHPTARGVEELVSATSNAVAKALPA
7C2C_1_k12
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679
P22188
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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4QMO_2_k12
0
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444205
P12581
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6TJY_1_k12
0
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s574
Q9Z2V5
[CH2][Branch2][Ring2][P][CH1][=CH0][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][CH3][CH2][CH0][Branch1][C][CH3][=CH1][C...
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6UEX_2_k12
1
-8.9
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1110
Q9NRG7
[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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4FU8_1_k12
0
-3.1
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125409
Q02219
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O[C@@H]1[C@@H](O)[C@H](O)OC[C@H]1O
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6B6Q_1_k12
0
-3.7
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5414
Q6TMK4
[CH2][Branch1][O][CH2][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
CCCCCCCCOCCOCCOCCOCCO
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HHHANKEATRNAAALFSVDYKAFLNEVSNLNKRMGDLRDINGEAGAWARIMSGTGSASGGFSDNYTHVQVGVDKKHELDGLDLFTGFTVTHTDSSASADVFSGKTKSVGAGLYASAMFDSGAYIDLIGKYVHHDNEYTATFAGLGTRDYSTHSWYAGAEAGYRYHVTEDAWIEPQAELVYGSVSGKQFAWKDQGMHLSMKDKDYNPLIGRTGVDVGKSFSGKDWKVTARAGLGYQFDLLANGETVLRDASGEKRIKGEKDSRMLMSVGLNAEIRDNVRFGLEFEKSAFGKYNVDNAVNANFRYSF
3SLT_1_k12
0
-3.3
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985
P02689
[CH2][Branch1][N][CH2][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCCC(=O)O
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GMSNKFLGTWKLVSSENFDDYMKALGVGLATRKLGNLAKPTVIISKKGDIITIRTESTFKNTEISFKLGQEFEETTADNRKTKSIVTLQRGSLNQVQRWDGKETTIKRKLVNGKMVAECKMKGVVCTRIYEKV
6S2M_1_k12
2
-5.3
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782539
Q0CCA0
[CH0][Branch1][P][CH2][NH0][CH2][CH2][NH0][Branch1][=Branch1][CH0][Branch1][C][CH3][=OH0][CH2][CH2][Ring1][=Branch2][=CH1][CH1][=CH1][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring2][Ring1][Ring2][Ring1][=Branch1]
CC(=O)N1CCN(Cc2cccc3ccccc23)CC1
SdGfFdRdKqMdAaFpPdScGvKlVqElGlCqMwVkQwVkTaCqGpTpTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSvEvDcMqLaNpPpNpYsEvDvLsLcIvRvKdSdNqHvNrFiLfViQgAdGpNnVdQtLfRrVfIpGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNsPpKsTrPwKaYeKaFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPgSpGdViYgQmCwAtMqRfPpNlFrTwIiKqGdSdFhLdNrGrSrCfGnStVwGtFwNdIdDdYpDgCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
5REX_2_k12
2
-7
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174
P09382
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6IRZ_2_k12
0
-2.8
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176
F8G0P2
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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6DJ7_2_k12
0
-2.4
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s612
Q56232
[NH0][Branch1][C][H][C@@H1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][C][CH3][CH0][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)[C@H](C)NC=C1COP(=O)(O)O
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MRGLSRRVQAMKPDAVVAVNAKALELRRQGVDLVALTAGEPDFDTPEHVKEAARRALAQGKTKYAPPAGIPELREALAEKFRRENGLSVTPEETIVTVGGSQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEALARLAVEHDFYLVSDEIYEHLLYEGEHFSPGRVAPEHTLTVNGAAKAFAMTGWRIGYACGPKEVIKAMASVSRQSTTSPDTIAQWATLEALTNQEASRAFVEMAREAYRRRRDLLLEGLTALGLKAVRPSGA...
1GC3_1_k12
1
-7.1
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753
P53582
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2B3K_1_k12
0
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8117
Q8DIF8
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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ADPYDALRRRWLGITLGTGYDPAAEPYASRLAETGERAREHRATMAPTPTSLWPGHPFDPPAGITFAYGRLWTMTEAYVQEGTGATGDPALLADILRGLDHLSATVYHPATTRYGNWWEWQIGSPRLLMDITAALYDHLGADRVAAACAAVDHFVPDAMLGAYTGTSTGANRVDLCRSVALRGVLGRAPAKIALARDALSPVFPYVTKGDGLYADGSFVQHTWVAYSGTYGQVMLDGLGRLFTLLAGSEWEVTDPGRQLVLDSVEHAYAPLIHDGLVMDTVNGRAISRGYLKSDDLHVMRSDHFHGQQLIAAMAVLAGGA...
2WDA_1_k12
0
-2.8
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174
Q9SZU7
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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2Q4H_2_k12
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702
Q01781
[OH0][Branch1][C][H][CH2][CH3]
CCO
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1J71_1_k12
0
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s98
P9WP53
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][C][CH3][CH0][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)C(C)NC=C1COP(=O)(O)O
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ARYDSLLQALGNTPLVGLQRLSPRWDDHVRLWAKLEDRNPTGSIKDRPAVRMIEQAEADGLLRPGATILEPTSGNTGISLAMAARLKGYRLICVMPENTSVERRQLLELYGAQIIFSAAEGGSNTAVATAKELAATNPSWVMLYQYGNPANTDSHYCGTGPELLADLPEITHFVAGLGTTGTLMGTGRFLREHVAVKIVAAEPRPELYDPEILTARYSVGAVDAVRRTRELVHTEGIFAGISTGAVLHAALGVGAGALAAGERADIALVVADAGWKYLSTGAY
5I7O_2_k12
2
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753
P48806
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MGSITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPASTFKIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVPVFQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVEFLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPGVAWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGII
5MNU_1_k12
0
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8117
P12581
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6BQH_4_k12
0
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753
P07062
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2ZM8_2_k12
0
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64960
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8RFY_2_k12
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814053
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174
Q13976
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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7T4T_3_k12
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31275
B2VH50
[CH2][OH0][CH2][CH2][OH0][CH2][Ring1][=Branch1]
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5Z7Y_2_k12
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s688
A7LXT7
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C[C@H]1OC(O)(O)[C@H](O)[C@@H](O)[C@H]1O
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1MMX_1_k12
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107689
212075
[C@@H1][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
C[C@H](O)C(=O)O
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1W3Q_2_k12
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174
P21179
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4EW0_1_k12
0
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s307
Q8N6T7
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PFTADKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGAGISTASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLERVGLLRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTVVGTMGLKATGRLCTVACRGELRDTILDWEDSLPDRDLALADEASRNADLSITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHGYVDEVMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPKLEKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTG...
8BL0_1_k12
1
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445184
P21553
[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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5J68_2_k12
0
-3
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s147
P42599
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CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OCc1oc(N2CNC3=C(N)NCNC32)c(O)c1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSCCO
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MDIRPARISDLTGMQNCNLHNLPENYQLKYYLYHAISWPMLSYVATDPKGRVVGYVLAKMEEEPKDGIPHGHITSVSVMRSYRHLGLAKRLMVQSQRAMVEVYGAKYMSLHVRKSNRAAIHLYRDTLQFDVQGIESKYYADGEDAYAMHKDFSSASE
4KVM_1_k12
2
-6.9
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32838
Q22000
[CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][=Branch1][NH0][Branch1][C][H][H][=N+1][Branch1][C][H][H]
NC(N)=[NH2+]
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VTAITKVEREAVLVCELPSFDVTDVEFDLFRARESTDKPLDVAAAIAYRLLLGSGLPQKFGCSDEVLLNFILQCRKKYRNVPYHNFYHVVDVCQTIHTFLYRGNVYEKLTELECFVLLITALVHDLDHMGLNNSFYLKTESPLGILSSASGNTSVLEVHHCNLAVEILSDPESDVFDGLEGAERTLAFRSMIDCVLATDMAKHGSALEAFLASAADQSSDEAAFHRMTMEIILKAGDISNVTKPFDISRQWAMAVTEEFYRQGDMEKERGVEVLPMFDRSKNMELAKGQIGFIDFVAAPFFQKIVDACLQGMQWTVDRIK...
5G57_1_k12
0
-2.5
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159055
P00183
[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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6CP4_1_k12
2
-5.8
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174
P06126
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7SH4_2_k12
0
-3
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s5
P42330
[CH1][=Branch2][Ring1][Ring1][=CH1][CH0][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][NH0][Branch1][C][H][C@H1][Ring1][Branch2][CH3][CH0][=CH1][CH0][Branch1][C][BrH0][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][C][BrH0][=CH1][Ring1][#Branch2]
CC1=C(C=Cc2cc(Br)c(O)c(Br)c2)[C@H](C)NN1
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PLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTN
8HEJ_2_k12
0
-4.7
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[0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0]
s523
P03367
[C@@H1][Branch2][Ring2][Ring1][CH2][NH0][Branch2][Ring1][#Branch1][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][=Branch2][CH2][C@@H1][Branch1][C][CH3][CH2][CH3][Branch1][Ring1][OH0][H][C@@H1][Branch2][Ring1][#Branch1][NH0][Branch2][Ring1][C]...
CC[C@H](C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
PdQdIdTdLvWpKdRfPqLwVwTwIkKaIfGqGnQdLiKdEiAeLgLaDdTaGpAdDqDaTwVeLaEeEdMdNdLdPdGdRdWwKdPwKdMwIdGaGdIpGvGgFiIdKiVwRtQkYdDaQqItLwImEaItCrGnHrKiAdIgGgTiVyLtVyGyPpTdPpVhNgIyIhGyRpNvLgLcTvQvIrGpCdTdLdNdFdPdQdIdTdLvWpKdRfPqLwVfTwIkKaIfGpGnQdLiKdEiAaLgLaDdTaGpAaDaDaTwVeLaEeEaMdNdLdPdGdRdWwKdPwKdMwIdGaGdIpGpGgFiIwKiVwRtQkYdDfQq...
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
6DGY_1_k12
1
-9.3
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79718
P08912
[CH2][Branch1][N][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCOCCOCCO
RdLvWvEvVlIvTvIlAvAvVvTlAlVvVlSlLvIlTlIqVvGlNlVvLlVlMvIvSlFcKvVpNdSvQvLqKpTdVlNlNcYvYlLvLnSlLlAsCvAlDlLnIlIlGsIpFqSvMsNvLqYlTsTvYcIvLsMvGvRfWdAdLpGdSqLvAvClDlLvWsLvAlLsDvYqVlAsSvNqAlRnVlMqNsLlLlVvIsSlFvDlRlYlFcSvIqTfRpPvLpTpYrRvAvKpRrTdPnKvRvAsGvIvMsIsGvLvAsWnLvIvSsFnIvLvWrAsPcAqIsLpCcWvQcYvLvVvGvKhRdTpVdPdLgDgEhCrQdIg...
RLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNARVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLTKDEAEK...
6OL9_2_k12
0
-4
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
679
P0DTC1
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKfMdAaFdPdScGpKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqTkVtYkCfPfRlHcVnIlCpTdApEvDdMlLaNdPdNdYsEvDvLsLpIvRpKdSdNqHvSsFmLwViQgArGpNnVdQtLwRrVfIdGdHwSdMdQqNaCrLmLiRiLtKgVtDpTgStNrPpKsThPwKaYeKdFfVdRaIdQdPaGlQdTkFwSkVwLqAfCdYaNnGrShPtSdGdViYgQmCwAgMqRfPpNlHrTwItKpGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYpDrCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQCSGVTFQ
6WCO_3_k12
0
-1.9
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679
Q8JUX6
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7H7O_1_k12
0
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5288834
P03367
[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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1I78_2_k12
0
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617597
P11309
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O=C(O)c1ccc(C=Cc2ccc(O)cc2)cc1
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8R18_1_k12
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679
P0A2K1
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7LTP_3_k12
0
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90655273
P07602
[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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7E4P_3_k12
0
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449146
P0A988
[CH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][Ring1][OH0][H][=CH1][CH1][=CH1][Ring1][#C]
NC(=O)c1cccc(O)c1O
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5KHP_2_k12
2
-5.7
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s77
Q14680
[CH1][Branch2][Ring1][O][NH0][Branch1][C][H][CH1][CH0][=CH0][Branch1][=N][NH0][Branch1][C][H][CH1][Branch1][C][CH3][NH0][Ring1][Branch2][H][CH1][=CH1][SH0][Ring1][O][CH0][=CH0][Branch1][#Branch2][NH0][Branch1][C][H][NH0][Ring2][Ring1][Ring2][H][C@@][Branch1][C][CH3][Branch1][C][CH3][NH0][Branch2][Ring1][#Branch2][CH0][...
CC1Nc2ccsc2C(NC2NNC3=C2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)N1
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DYDELLKYYELHETIGTGGAKVKLACHILTGEMVAIKIMDKNTLDLPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCAKSLAYAAPELIQGKLGSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQDYNYPVEWQSKNPFIHLDDDCVTELSVHHRNNRQTMEDLISLWQYDHLTATYLLLLAKKARGKPVRLRLS
5MAG_2_k12
1
-9
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8094
Q9R085
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH2][CH3]
CCCCCCC(=O)O
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5OLO_1_k12
0
-4.9
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s91
P49888
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O=c1[nH]c2ccc(NCC3C=CC=CN3)cc2[nH]1
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
4Y4X_4_k12
1
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444205
B9W4V6
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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GLPPGPLENSSAKLVNDEAHPWKPLRPGDIRGPCPGLNTLASHGYLPRNGVATPAQIINAVQEGFNFDNQAAIFLTYAAHLVDGNLITDLLSIGRKTRLTGPDPPPPASVGGLNEHGTFEGDASMTRGDAFFGNNHDFNETLFEQLVDYSNRFGGGKYNLTVAGELRFKRIQDSIATNPNFSFVDFRFFTAYGETTFPANLFVDGRRDDGQLDMDAARSFFQFSRMPDDFFRAPSPRSGTGVEVVVQAHPMQPGRNVGKINSYTVDPTSSDFSTPCLMYEKFVNITVKSLYPNPTVQLRKALNTNLDFLFQGVAAGCTQV...
7PN7_1_k12
0
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s104
Q08345
[CH1][=CH1][CH0][=Branch1][C][=OH0][CH1][=CH1][CH1][Ring1][#Branch1][CH1][=CH1][CH1][=OH0]
O=CC=CC1C=CC(=O)C=C1
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1S4R_1_k12
2
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753
730693
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6SJN_1_k12
0
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64960
Q58779
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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6G0X_4_k12
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24310
D4AL26
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OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
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6ZUM_1_k12
2
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s137
P29702
[C@H1][Branch1][=C][CH2][NH0][Branch1][C][H][C@@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1][Branch1][=N][CH2][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H][OH0][H]
O[C@@H](CNC1CCCCC1)CS(O)(O)O
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7T09_2_k12
0
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8914
P84751
[CH2][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][OH0][H]
CCCCCCCCCO
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5VKH_1_k12
0
-4.1
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s691
P22629
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O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC1CCN(C2=CCNC=C2)CC1
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6T1G_2_k12
1
-9.3
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174
P00592
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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MDKFRVQGPTRLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDIDTTMKLLTQLGTKVERDGSVWIDASNVNNFSAPYDLVKTMKASIWALGPLVARFGQGQVSLPGGCAIGARPVDLHIFGLEKLGAEIKLEEGYVKASVNGRLKGAHIVMDKVSVGATVTIMSAATLAEGTTIIENAAREPEIVDTANFLVALGAKISGQGTDRITIEGVERLGGGVYRVLPDRIETGTFLVAAAISGGKIVCRNAQPDTLDAVLAKLREAGADIETGEDWISLDMHGKRPKAVTVRTAPHPAFPTDMQAQFTLLNLVAEGT...
4EII_2_k12
0
-2.5
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s428
P9WPA7
[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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GRQKIAIVGAGLGGAAAATLLQQAGFDVEVFEQAPAFTRLGAGIQIGPNVMKIFRRMGLEQKLELMGSHPDFWFSRDGNTGDYLSRIPLGEFARREYGAAYITIHRGDLHALQIEAIQPGTVHFGKRLEKIVDEGDQVRLDFADGTHTVADIVIGADGIHSKIREELLGAEAPIYSGWVAHRALIRGVNLAQHADVFEPCVKWWSEDRHMMVYYTTGKRDEYYFVTGVPHEAWDFQGAFVDSSQEEMRAAFEGYHPTVQKLIDATESITKWPLRNRNPLPLWSRGRLVLLGDACHPMKPHMAQGACMAIEDAAMLTRCLQ...
8UIV_1_k12
1
-11.8
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311
P16544
[C@@][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
O=C(O)CC(O)(CC(=O)O)C(=O)O
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KKKSLTELISDLKGNENVVNWHEIEPREAKTRPMPESIDERIKAALSKRGIDELYTHQYSAFQYVQKGESIVTVTPTASGKTLCYNLPVLQSIAQDETNRALYLFPTKALAQDQKSELNEIIDEMGIDIKSFTYDGDTSPAIRQKVRKAGHIVITNPDMLHSAILPHHTKWVSLFENLKYIVIDELHTYRGVFGSHVANVIRRLKRICRFYGSDPVFICTSATIANPKELGEQLTGKPMRLVDDNGAPSGRKHFVFYNPPIVNKPLNIRRSATAEVNELAKEFLKNKVQTIVFARSRVRVEIILSHIQELVKKEIGTKSI...
6ZNQ_2_k12
2
-5.4
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117072466
P14489
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3MU3_1_k12
1
-7.3
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s171
510831
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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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7UCH_1_k12
1
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444205
P14384
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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1UWY_1_k12
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753
P24941
[CH2][Branch1][=Branch2][CH1][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][H]
OCC(O)CO
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1YT8_1_k12
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174
P00491
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4QMP_1_k12
0
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284
O66553
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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2AHR_2_k12
0
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174
P0C7J2
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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1NG1_1_k12
0
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753
B6EH86
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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AESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTKAKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSDLPYKGSEHSLDGEHFAMEMHIVHEKEKGTSDPEDEIAVLAFLVEAGTQVNEGFQPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFREPIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKS
5JN9_2_k12
0
-2.8
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753
P05068
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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EDPPACGSIVPRREWRALASECRERLTRPVRYVVVSHTAGSHCDTPASCAQQAQNVQSYHVRNLGWCDVGYNFLIGEDGLVYEGRGWNIKGAHAGPTWNPISIGISFMGNYMNRVPPPRALRAAQNLLACGVALGALRSNYEVKGHRDVQPTLSPGDRLYEIIQTWSHYRAEDPPACGSIVPRREWRALASECRERLTRPVRYVVVSHTAGSHCDTPASCAQQAQNVQSYHVRNLGWCDVGYNFLIGEDGLVYEGRGWNIKGAHAGPTWNPISIGISFMGNYMNRVPPPRALRAAQNLLACGVALGALRSNYEVKGHRDV...
5E0B_1_k12
0
-4
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s158
P07379
[CH2][C@H1][Branch2][Ring1][#Branch1][CH2][CH1][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH0][Branch1][C][CH3][=CH1][Ring1][O][C@H1][Branch2][Ring1][#Branch1][NH0][Branch1][C][H][CH2][CH2][NH0][Branch1][C][H][CH2][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1][CH2][N...
CC1=CC(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)NC(N)=C1
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RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPVRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKD...
3B3O_1_k12
1
-9.2
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11344556
P93330
[CH1][=CH0][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][Ring1][S]
O=C(O)CCc1cccc(C(=O)O)c1
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4BPS_1_k12
1
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s390
P97603
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O[C@]1(COS(O)(O)O)O[C@H](COS(O)(O)O)[C@@H](OS(O)(O)O)[C@@H]1OS(O)(O)O
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4BQC_3_k12
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702
P28720
[OH0][Branch1][C][H][CH2][CH3]
CCO
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4U7A_3_k12
0
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s218
Q6ERW5
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6C4P_3_k12
1
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679
Q5S3I3
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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5R96_1_k12
0
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s759
O91745
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CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@H](S(O)(O)O)C[C@@H]1N
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6BR6_4_k12
2
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444205
Q2RM91
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1CXP_2_k12
0
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174
Q99Y92
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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1RE9_2_k12
0
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445184
Q6TMK4
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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6ERC_3_k12
0
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s616
P02879
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7Q07_3_k12
1
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5280863
P38585
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O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
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CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANRYTIAALLSPYSYSTTAVVT
4DET_1_k12
0
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