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
2665169
P0C024
[NH0][Branch2][Ring1][C][CH0][=Branch1][C][=OH0][CH2][CH0][=CH1][CH1][=CH1][CH0][Branch1][Ring1][OH0][CH3][=CH1][Ring1][Branch2][Branch1][C][H][CH0][=CH1][CH0][Branch1][C][ClH0][=CH1][CH1][=CH1][Ring1][#Branch1]
COc1cccc(CC(=O)Nc2cccc(Cl)c2)c1
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SMLDDAKARLRKYDIGGKYSHLPYNKYSVLLPLVAKEGKLHLLFTVRSEKLRRAPGEVCFPGGKRDPTDMDDAATALREAQEEVGLRPHQVEVVCCLVPCLIDTDTLITPFVGLIDHNFQAQPNPAEVKDVFLVPLAYFLHPQVHDQINHIFEYTNPEDGVTYQIKGMTANLAVLVAFIILEKKPT
5QGV_3_k12
1
-7.2
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753
P12689
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2V2M_1_k12
0
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13455857
Q88FY2
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C[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
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1HMW_3_k12
0
-3.7
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145704685
P00520
[NH0][Branch2][Ring2][C][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch2][Ring1][C][OH0][CH2][CH2][CH2][CH2][CH0][=CH1][CH0][Branch1][C][FH0][=CH1][CH1][=CH0][Ring1][#Branch1][CH3][CH1][=CH1][Ring2][Ring1][Ring1][Branch1][C][H][CH0][=CH0][CH0][=Branch1][=Branch1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Branch1][#B...
Cc1ccc(F)cc1CCCCOc1ccc(C(=O)Nc2cccc3c2O[C@H](C(=O)O)CN3CCCC(=O)O)cc1
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CTIENFKREFFPIVYLIIFFVGVLGNGLSIYVFLQPYKKSTSVNVFMLNLAISNLLFISTLPFRADYYLRGSNWIFGDLACRIMSYSLYVNMYSSIYFLTVLSVVRYLAMVHPFRHVTSIRSAWILCGIIWILIMASSIMLLDSEQNGSVTSCLELNLYKIAKLQTMNYIALVVGCLLPFFTLSICYLLIIRVLLKVEVSHRKALTTIIITLIIFFLCFLPYHTLRTVHLTTWKVGLCKDRLHKALVITLALAAANACFNPLLYYFAGENFKDRLKSALRADLEDNWETLNDNLKVIEKAAAQVKDALTKMRAAALDAQM...
6RZ9_2_k12
1
-11.4
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s580
P08069
[CH3][N+1][=CH0][CH0][Branch1][Ring1][CH1][=CH2][=CH0][Branch1][C][CH3][CH0][Ring1][Branch2][=CH1][CH0][=CH0][Branch1][C][CH3][CH0][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][=CH0][Branch1][Branch1][NH0][Ring1][N][H][CH1][=CH0][N+1][Branch1][C][H][=CH0][Branch2][Ring1][#Branch1][CH1][=CH0][NH0][Branch...
C=CC1=C(C)c2cc3[nH]c(cc4[nH+]c(cc5[nH]c(cc1[n+]2C)c(C)c5C=C)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C
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ELVMTQTPKFMSTTVGDRVSITCKASQNVGTPVAWYQQKPGQSPKLLIYSASNRYTGVPDRFTGSGSGTDFTLTISNMQSEDLADYFCQQYSSYPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRNEQVQLLESGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGMIDPNSGGTKYNEKFKSKATLTVDKPSNTAYMQLSSLTSEDSAVYYCTRRDMDYWGAG...
3FCT_1_k12
1
-10.4
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7104
P0C0Y9
[CH1][=CH1][CH0][=CH0][Branch1][Branch1][CH1][=CH1][Ring1][=Branch1][CH1][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][Ring1][=C]
O=C(O)c1cc2ccccc2cc1O
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SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLR
7YY7_1_k12
1
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444205
Q99036
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6EKX_1_k12
0
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s1
P9WFX9
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4UB8_6_k12
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7156966
Q9P0U3
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CCCC[C@H](O)[C@H](O)CO
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4IN6_2_k12
0
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171154095
B0YN54
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2EVD_3_k12
2
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5056
Q8N6T7
[CH0][Branch1][Ring1][OH0][H][=CH1][CH0][Branch1][#C][CH1][=CH1][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][Branch2][=CH1][CH0][Branch1][Ring1][OH0][H][=CH1][Ring2][Ring1][Ring2]
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
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8AKA_2_k12
1
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2BHC_1_k12
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s230
Q9ASR4
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6SQD_1_k12
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s595
O67572
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4LKV_3_k12
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753
P29736
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2AM4_1_k12
0
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s663
Q79VI7
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O=C(O)C[C@H]1CN(C2NCNc3[nH]c4ccccc4c32)CCO1
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5SRN_2_k12
1
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s497
Q8Y565
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8DH5_1_k12
1
-7.6
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s726
P0DTC1
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NC1=C2C=C(c3cc(F)cc(NC(=O)CN4CCCC4)c3)C=CC2NCN1
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4OBQ_1_k12
1
-10.5
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s16
P26838
[CH0][=Branch1][C][=OH0][NH0][Branch2][Ring1][Branch1][CH2][CH1][SH0][CH0][=CH0][Branch1][Branch1][NH0][Ring1][Branch1][H][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][=Branch2][NH0][Branch1][C][H][CH1][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH0][=CH0][Ring2][Ring1][=Branch2][NH0][Branch1][C][H][CH1][...
O=C(O)CC1NN(CC2Nc3cc(Cl)ccc3S2)C(=O)C2=C1NC=CN2
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ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
8FH7_2_k12
1
-10.6
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8200
Q5RBV0
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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6S9M_3_k12
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753
Q02127
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5CJE_1_k12
0
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753
A9CH39
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OCC(O)CO
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7RXU_1_k12
0
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444205
Q9M8Y0
[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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AADYVLYKDATKPVEDRVADLLGRMTLAEKIGQMTQIERLVATPDVLRDNFIGSLLSGGGSVPRKGATAKEWQDMVDGFQKACMSTRLGIPMIYGIDAVHGQNNVYGATIFPHNVGLGATRDPYLVKRIGEATALEVRATGIQYAFAPCIAVCRDPRWGRCYESYSEDRRIVQSMTELIPGLQGDVPKDFTSGMPFVAGKNKVAACAKHFVGDGGTVDGINENNTIINREGLMNIHMPAYKNAMDKGVSTVMISYSSWNGVKMHANQDLVTGYLKDTLKFKGFVISDWEGIDRITTPAGSDYSYSVKASILAGLDMIMVP...
6JG2_2_k12
0
-4.1
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8200
P11838
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
5HCT_6_k12
0
-3.6
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679
P00760
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGpTpTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSpEvDcMqLaNpPpNpYsEvDvLsLvIvRpKdSdNqHvNsFmLwViQgAdGpNpVdQtLwRgVfIdGdHwSdMdQqNaCrVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQdTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQiCwAtMqRfPnNlFrTwItKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIqDdYpDrCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
7GLI_1_k12
0
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s27
Q9I685
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7ZD2_1_k12
1
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174
Q0PA35
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7T4J_3_k12
0
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s948
B4RL16
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CCCCNC(=[NH2+])SC
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1I83_2_k12
0
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1174
Q8KN28
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O=c1cc[nH]c(=O)[nH]1
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5GNW_1_k12
2
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68122670
Q02899
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COCC=Cc1ccc(O)c(OC)c1
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4EVI_2_k12
2
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78225875
Q9Z2L6
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4FDU_2_k12
1
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444205
P07359
[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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1GWB_1_k12
0
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446619
P22513
[CH0][=CH0][Branch2][Ring1][=Branch2][CH1][=CH0][CH0][=Branch1][Ring2][=CH1][Ring1][=Branch1][CH1][=CH0][Branch1][#Branch2][C@@][Branch1][C][CH3][Branch1][C][CH3][OH0][H][OH0][Ring1][O][OH0][CH0][=Branch1][C][=OH0][CH0][Branch1][#Branch2][C@][Branch1][C][CH3][Branch1][C][CH3][CH1][=CH2][=CH1][Ring2][Ring1][Branch2]
C=CC(C)(C)c1cc2cc3cc(C(C)(C)O)oc3cc2oc1=O
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1K3T_1_k12
1
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444205
P9WFX9
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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4URT_2_k12
0
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753
Q02899
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6T8M_1_k12
0
-4
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s1088
B4RNT1
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NC1=C2NCN([C@@H]3O[C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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MQEHYQPAAIEPAAQKKWDDARISNVSEDASKPKYYCLSMFPYPSGKLHMGHVRNYTIGDVLSRFKLLNGFNVMQPMGWDAFGMPAENAAMKNNVAPAAWTYDNIEYMKTQLKSLGFAVDWEREVATCKPEYYRWEQWLFTKLFEKGIVYRKNGTVNWDPVDQTVLANGQVIDGRGWRSGALIEKREIPMYYFKITDYAEELLNDLDKLEHWPEQVKTMQRNWIGKSRGMTVRFAVSDDSKQGLEGDYAKFLQVYTTRPDTLMGATYVAVAAEHPLATAAAADKPELQAFIAECKAGSVAEADMATMEKKGVPTGRYVVN...
7NU3_1_k12
1
-9.7
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174
P61432
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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LYPDELNVSNNPHYRPKPVSYDSTLPPDHIKVYSRTLFIGGVPLNMKEWDLANVLKPFAEVQSVILNNSRKHAFVKVYSRHEAENVLQNFNKDGALPLRTRWGVGFGPRDCCDYQHGYSIIPMHRLTDADKKWSVSAQWGGTSGQPLVTGIVFEEPDIIVGEGVSSK
5O1W_1_k12
0
-2.6
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8900
O05394
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH3]
CCCCCCC
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ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
6GA5_7_k12
0
-3.2
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753
O54983
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
RdAdPaAaFeLaSeApEvElVlQvDvHlLcRpSdScSvLvLqIqPpPlLvElAlAlLlAlNlFvSqKvGpPvDvGsGqVkMdQwPdVqRwTdVkVdPqVdAvKvHqRqGkFiLwGiVwMtPwAiYaSgApAvEvDgAwLtTkTiKkLiVwTiFaYhEcPvSrHiQwAiSwVmLwLtFaDrPnSvNpGgShLtLhAhViMyDtGcNlVnIlTvAlKqRlTlAlAsVvSvAvIlAlTcKvLlLaKfPaPpGpSqDaVeLeCeIeLeGaAqGdVsQnAvYvSsHnYvEvIvFcTvEvQpFdSpFhKnEaVyReMyWeNyRpTd...
RAPAFLSAEEVQDHLRSSSLLIPPLEAALANFSKGPDGGVMQPVRTVVPVAKHRGFLGVMPAYSAAEDALTTKLVTFYEPSHQASVLLFDPSNGSLLAVMDGNVITAKRTAAVSAIATKLLKPPGSDVLCILGAGVQAYSHYEIFTEQFSFKEVRMWNRTRENAEKFASTVQGDVRVCSSVQEAVTGADVIITVTMATEPILFGEWVKPGAHINAVGASRPDWRELDDELMRQAVLYVDSREAALKESGDVLLSGADIFAELGEVISGAKPAHCEKTTVFKSLGMAVEDLVAAKLVYDSWSS
4BV9_4_k12
0
-3.5
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s685
P31800
[C@@H1][Branch2][Ring1][Ring1][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][=Branch2][OH0][CH2][CH2][NH0][Branch1][C][H][H][OH0][H][Branch1][#Branch2][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH3][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH3]
CCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCC
AdTdYpAlQvAvLqQvSpVdPfEdTkQdVwSdQaLdDpNlGaLaRiVeAiSeEgQaSdSaQfPqTkCkTkVkGkVkWkIfDqAdGfSlRqYlEdSdEqKlNqNaGqAlGlYvFlVlEqHqLqAlFqKqGaTfKpNvRqPhGgNcAsLlEvKvEvVcEvSvMqGvAkHdLwNdAwYdSgTdRrEgHmTtAmYiYmImKiAgLgSaKvDcLvPlKvArVlEqLsLnAlDrIsVqQpNgCgSpLqEdDqSvQsIlEvKvEvRlDvVvIlLvQvEvLvQvEvNqDvTpSvMqRvDsVvVlFvNlYvLlHqAcTqAfFqQpGpTh...
ATYAQALQSVPETQVSQLDNGLRVASEQSSQPTCTVGVWIDAGSRYESEKNNGAGYFVEHLAFKGTKNRPGNALEKEVESMGAHLNAYSTREHTAYYIKALSKDLPKAVELLADIVQNCSLEDSQIEKERDVILQELQENDTSMRDVVFNYLHATAFQGTPLAQSVEGPSENVRKLSRADLTEYLSRHYKAPRMVLAAAGGLEHRQLLDLAQKHFSGLSGTYDEETVPTLSPCRFTGSQICHREDGLPLAHVAIAVEGPGWAHPDNVALQVANAIIGHYDCTYGGGAHLSSPLASIAATNKLCQSFQTFNICYADTGLLG...
5OKD_4_k12
0
-4.8
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445184
Q04609
[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
KdHpNdMlKvAlFlLlDvElLfKdAlEvNlIlKlKvFlLlYqNvFqTfQpIwPaHqLaAfGqTdEvQvNvFvQvLvAlKvQvIlQqSvQlWlKvEvFlGaLfDpShVkEdLkAdHkYfDwVfLkLwSkYaPaNdKpTvHfPaNwYwIkSfIwIaNfEpDvGrNdEgIpFdNiTaSdLrFaEfPcPfPaPpGpYcEnNpVhSpDdIqVgPgPfFwSaAiFqSfPdQfGdMkPqEkGaDfLeVfYeVqNeYaAqRfTpEvDsFvFcKcLqEcRvDpMpKvIhNqCqSaGaKhIeVyIeAyReYhGdKdVfFdRqGlNlKsVl...
KHNMKAFLDELKAENIKKFLYNFTQIPHLAGTEQNFQLAKQIQSQWKEFGLDSVELAHYDVLLSYPNKTHPNYISIINEDGNEIFNTSLFEPPPPGYENVSDIVPPFSAFSPQGMPEGDLVYVNYARTEDFFKLERDMKINCSGKIVIARYGKVFRGNKVKNAQLAGAKGVILYSDPADYFAPGVKSYPDGWNLPGGGVQRGNILNLNGAGDPLTPGYPANEYAYRRGIAEAVGLPSIPVHPIGYYDAQKLLEKMGGSAPPDSSWRGSLKVPYNVGPGFTGNFSTQKVKMHIHSTNEVTRIYNVIGTLRGAVEPDRYVIL...
4X3R_2_k12
0
-2.8
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753
P28820
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6WMO_6_k12
0
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62551
Q57556
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCO
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MVILGVGYFLLGLILLYYGSDWFVLGSERIARHFNVSNFVIGATVMAIGTSLPEILTSAYASYMHAPGISIGNAIGSCICNIGLVLGLSAIISPIIVDKNLQKNILVYLLFVIFAAVIGIDGFSWIDGVVLLILFIIYLRWTVKNGSAKNNPSVVFSLVLLIIGLIGVLVGAELFVDGAKKIALALDISDKVIGFTLVAFGTSLPELMVSLAAAKRNLGGMVLGNVIGSNIADIGGALAVGSLFMHLPAENVQMAVLVIMSLLLYLFAKYSKIGRWQGILFLALYIIAIASLRMGGG
5HXE_3_k12
0
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753
Q9LN20
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MVGFGWRGEVVHLSWSPRAFLLKNFLSDEECDYIVEKARPKMSTGTWFAKGEDSVISKIEKRVAQVTMIPLENHEGLQVLHYHGQRVVTMLMYLTTVEEGGETVLPNAEQKVTGDGWSECAKRGLAVKPIKGDALMFYSLKPDGSNDPASLHGSCPTLKGDKWSATKWIHVAPIMVGFGELKEEWRGEVVHLSWSPRAFLLKNFLSDEECDYIVEKARPKMVKTSTGTWFAKGEDSVISKIEKRVAQVTMIPLENHEGLQVLHYHNAGPEHGGQRVVTMLMYLTTVEEGGETVLPNAEQKVTGWSECAKRGLAVKPIKGD...
2V4A_1_k12
0
-3
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31275
Q9YGA6
[CH2][OH0][CH2][CH2][OH0][CH2][Ring1][=Branch1]
C1COCCO1
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MAGVRLVDVWKVFGEVTAVREMSLEVKDGEFMILLGPSGCGKTTTLRMIAGLEEPSRGQIYIGDKLVADPEKGIFVPPKDRDIAMVFQSYALYPHMTVYDNIAFPLKLRKVPRQEIDQRVREVAELLGLTELLNRKPRELSGGQRQRVALGRAIVRKPQVFLMDEPLSNLDAKLRVRMRAELKKLQRQLGVTTIYVTHDQVEAMTMGDRIAVMNRGVLQQVGSPDEVYDKPANTFVAGFIGSPPMNFLDAIVTEDGFVDFGEFRLKLLPDQFEVLGELGYVGREVIFGIRPEDLYDAMFAQVRVPGENLVRAVVEIVENL...
1G29_1_k12
0
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130215601
P20261
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][CH0][=Branch1][=Branch2][=CH0][Ring1][Branch2][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH2][NH0][Ring1][#Branch2][H]
NC1=C2NCNC2NCN1
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DVSFRLSGADPRSYGMFIKDLRNALPFREKVYNIPLLLPSVSGAGRYLLMHLFNYDGKTITVAVDVTNVYIMGYLADTTSYFFNEPAAELASQYVFRDARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDSAISTLLHYDSTAAAGALLVLIQTTAEAARFKYIEQQIQERAYRDEVPSLATISLENSWSGLSKQIQLAQGNNGIFRTPIVLVDNKGNRVQITNVTSKVVTSNIQLLLNTRN
6LOZ_2_k12
2
-5.1
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174
P33038
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4E7F_2_k12
0
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174
P29473
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3ZNU_1_k12
0
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753
O28126
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6N82_3_k12
0
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753
V5YM14
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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1DG7_3_k12
0
-3.4
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8841881
Q92769
[NH0][Branch1][C][H][Branch2][Ring1][Ring2][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH0][=CH0][Branch1][C][FH0][CH1][=CH1][CH1][=CH0][Ring1][#Branch1][FH0][CH0][=CH1][CH1][=CH1][CH0][Branch1][=Branch2][NH0][CH2][CH2][CH2][CH0][Ring1][Branch1][=OH0][=CH1][Ring1][N]
O=C1CCCN1c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1
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5TI6_2_k12
1
-8.2
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s523
Q9Z0R4
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NC1NC(O)=C2C(NC[C@@H]2CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)N1
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MTPYEDLLRFVLETGTPKSDRTGTGTRSLFGQQMRYDLSAGFPLLTTKKVHFKSVAYELLWFLRGDSNIGWLHEHGVTIWDEWASDTGELGPIYGVQWRSWPAPSGEHIDQISAALDLLRTDPDSRRIIVSAWNVGEIERMALPPCHAFFQFYVADGRLSCQLYQRSADLFLGVPFNIASYALLTHMMAAQAGLSVGEFIWTGGDCHIYDNHVEQVRLQLSREPRPYPKLLLADRDSIFEYTYEDIVVKNYDPHPAIKAPVAV
4FQS_2_k12
1
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s170
P02919
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3FWL_1_k12
2
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s644
P0DTC1
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SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
7RVN_1_k12
1
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Q925G1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7HGN_2_k12
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174
O75151
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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3PU3_1_k12
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8172
Q96PN6
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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6Q3R_8_k12
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s680
P00749
[ClH0][CH0][=CH1][CH0][=CH0][Branch2][Ring1][O][CH1][=CH0][Ring1][=Branch1][CH0][=CH1][CH1][=CH0][Branch1][=N][CH0][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][CH1][=CH1][Ring1][Branch2][CH1][=CH1][Ring1][=C][NH0][Branch1][C][H][CH1][Branch2][Ring1][=Branch2][OH0][CH0][=CH1][CH1][=CH0][Branch1][C][CH3][CH0][Branch1][O][CH...
Cc1ccc(OC2Nc3cc(Cl)c(-c4ccc(-c5ccccc5O)cc4)cc3N2)cc1C(=O)NO
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GSVKIGHYILGDTLGVGTFGKVKVGKHELTGHKVAVKILNRQKIRSLDVVGKIRREIQNLKLFRHPHIIKLYQVISTPSDIFMVMEYVSGGELFDYICKNGRLDEKESRRLFQQILSGVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGEFLRTSCGSPNYAAPEVISGRLYAGPEVDIWSSGVILYALLCGTLPFDDDHVPTLFKKICDGIFYTPQYLNPSVISLLKHMLQVDPMKRATIKDIREHEWFKQDLPKYLFPEIDNRRIMNEAKDFRKAKWHLGIRSQSRPNDIMAEVCRAIKQLDYEWKVV...
6C9G_2_k12
1
-12
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446145
P22756
[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][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][Ring2][Ring1][C]
O=C(O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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AQEHPSLILTKAGVEKIRAELGNIPIFDATLEKVKAEVDAEIALGIDTPLPKDYSGGYTHERHKRNFFILQKAGVLYQILNDEKYALYIKDMLFQYEGMYKDLPVHPQTRSYARGKLFWQCLNDSNWLVYVSQAYDCVYDYLSKKERKQLEKNLFRPFADYISIENPQFYNRVHNHSTWGNAAVGMIGLVMGDEELIQRALYGIEDDGLPIGAKDNDGGFIKVEGQKAGFLANIDEPFSPDGYYTEGPYAQRYAMYPFLIFAEALHNVRPQQKIFEHKDGVLLKSVNTLLSLSDADGEFFPLNDAQKGMSYHSRELVTAV...
7BM6_3_k12
2
-6.1
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12069389
P00431
[CH0][Branch2][Ring2][Ring2][CH0][=CH0][Branch1][C][CH3][CH1][=CH1][CH0][Branch2][Ring1][Branch1][OH0][CH2][CH0][=CH1][CH1][=CH0][Branch1][Ring2][CH2][OH0][H][CH0][Branch1][Ring2][CH2][OH0][H][=CH1][Ring1][N][=CH1][Ring2][Ring1][Branch1][=CH1][CH1][=CH0][Branch1][N][C@][Branch1][Ring1][OH0][H][Branch1][Ring1][CH2][CH3]...
CCCc1cc(C(O)(CC)CC)ccc1-c1cc(OCc2ccc(CO)c(CO)c2)ccc1C
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HMLSDEQMQIINSLVEAHHKTYDDSYSDFVRFRPPVRRLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIALLKSSAIEIIMLRSNQSFSLEDMSWSCGGPDFKYCINDVTKAGHTLELLEPLVKFQVGLKKLKLHEEEHVLLMAICLLSPDRPGVQDHVRIEALQDRLCDVLQAYIRIQHPGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGSEV
4G1D_1_k12
1
-11.6
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753
P00760
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3UNQ_3_k12
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445621
O35298
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5W7F_3_k12
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49866800
K5BDL0
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2IOT_1_k12
0
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174
P39824
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6W2Z_3_k12
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s573
Q7BQ98
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5UI2_2_k12
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8172
Q1IAK8
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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3O84_1_k12
0
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8076
Q13133
[CH2][Branch1][Ring2][OH0][CH2][CH3][CH2][OH0][H]
CCOCCO
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TGREILEKLERREFTREVLKEALSINDRGFNEALFKLADEIRRKYVGDEVHIRAIIEFSNVCRKNCLYCGLRRDNKNLKRYRMTPEEIVERARLAVQFGAKTIVLQSGEDPYYMPDVISDIVKEIKKMGVAVTLSLGEWPREYYEKWKEAGADRYLLRHETANPVLHRKLRPDTSFENRLNCLLTLKELGYETGAGSMVGLPGQTIDDLVDDLLFLKEHDFDMVGIGPFIPHPDTPLANEKKGDFTLTLKMVALTRILLPDSNIPATTAMGTIVPGGREITLRCGANVIMPNWTPSPYRQLYQLYPGKICVFEKDTACIP...
3CIX_5_k12
0
-2.8
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s814
Q3ZBT1
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NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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6G2X_4_k12
1
-8.5
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3776
P10539
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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4FTG_1_k12
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54232263
P0DMH7
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COn1ccc(=O)c2ccccc21
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7NMK_1_k12
2
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s721
P22906
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CC1=CNC2=C(N1)C(=O)N[C@@H](N)N2
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NATFGMGDRVRKKSGAAWQGQIVGWYCTNLTPEGYAVESEAHPGSVQIYPVAALERIN
2RK1_3_k12
0
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174
A0A509AHB6
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4B8E_1_k12
0
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867
O88427
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s649
P97438
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COc1cc(NCC2=CC=C3NC(N)NC(N)=C3C2C)cc(OC)c1OC
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4XT8_3_k12
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142904829
P11086
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NC1Nc2ccc(O)cc2N1
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ASAYQRFEPRAYLRNNYAPPRGDLCNPNGVGPWKLRCLAQTFATGEVSGRTLIDIGSGPTVYQLLSACSHFEDITMTDFLEVNRQELGRWLQEEPGAFNWSMYSQHACLIEGKGECWQDKERQLRARVKRVLPIDVHQPQPLGAGSPAPLPADALVSAFCLEAVSPDLASFQRALDHITTLLRPGGHLLLIGALEESWYLAGEARLTVVPVSEEEVREALVRSGYKVRDLRTYIMPAHLQTGVDDVKGVFFAWAQKV
3KR0_2_k12
1
-7.1
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s425
P30405
[C@H1][Branch2][Ring1][Ring1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][CH2][OH0][CH2][CH2][NH0][Branch1][C][H][H][CH2][CH2][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH1][=CH1][CH0][=Branch1][C][=OH0][NH0][CH2][C@@H1][Branch1][=Branch1][CH2][CH2][CH2][Ring1][=Branch1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][...
NCCOCCNC(=O)[C@H]1CCNC(=O)C=CC(=O)N2CCC[C@H](C2)C(=O)N[C@@H](Cc2ccco2)C(=O)NCc2ccccc2CC(=O)N1
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GNPLVYLDVDANGKPLGRVVLELKADVVPKTAENFRALCTGEKGFGYKGSTFHRVIPSFMCQAGDFTNHNGTGGKSIYGSRFPDENFTLKHVGPGVLSMANAGPNTNGSQFFICTIKTDWLDGKHVVFGHVIEGMDVVKKIESFGSKSGRTSKKIVITDCGQLS
7TGS_1_k12
1
-10
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s481
P0AEX9
[NH0][Branch1][C][CH3][CH0][=CH0][Branch1][S][NH0][Branch1][C][H][C@@H1][Ring1][#Branch1][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][CH1][=CH0][Branch1][=C][NH0][CH2][CH2][C@H1][Branch1][Ring2][CH2][OH0][H][CH2][CH2][Ring1][=Branch2][CH0][Branch2][Ring1][=N][NH0][Branch2][Ring1][Branch2][CH0][=Branch1][C][=OH0][CH0...
CN1c2cc(NC(=O)C3=C4NC=CCN4NC3)c(N3CCC(CO)CC3)cc2N[C@@H]1N1CCOCC1
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DTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMT
6O94_1_k12
1
-11.3
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8117
L7WU85
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
TdTpSdRdTaPqAwTfVfVqEfKfLcTaGaPfDlAgPpNqNpTcWqGfRqWaDqIfKhAfTwDdLfGfIaMwWeDdDqGvApGqHkViLkTtAkFtGaNwTtFfGgNdSqWaTdGfPqGfGdGdAgPpPpNnGrNpWtRaSgNmVwLmVfRmSfSnDdGpDpLpAnDnGhMtLhFtDdWgAtAqQhGdPpQrGsVhAtRhEhIqIdPdSfKpKcIdNaGqVqEfInTgTkIgPwTqThGwIySyVdGdKqRkQiYkLtGkFiMwSrVwKnQhWaGdPpPaGqVgWtDaTtNqFwAiGfImAwYmSdDnDhGsGpGnThWi...
TTSRTPATVVEKLTGPDAPNNTWGRWDIKATDLGIMWDDGAGHVLTAFGNTFGNSWTGPGGGAPPNGNWRSNVLVRSSDGDLADGMLFDWAAQGPQGVAREIIPSKKINGVEITTIPTTGISVGKRQYLGFMSVKQWGPPGVWDTNFAGIAYSDDGGGTWKVSDTRWENADGHDPFQMQAWVQKGGTIYVFGTQNGRNGPASVAKVPASKLLDKSAFRYWNGTDWSRKESDAVPVMDAPMSEMSVQYDAYSKRFLMMTLSGEDIIMRTATAPEGPWTPAQTVASSTDYPALYGGYFHPWNKDGEIYFTMSQWNPYNVYLM...
8IC1_1_k12
0
-2.7
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174
P52678
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
KdEaYdRdPqTdLlAvQlLlRlTlFlVlTlIcAqEvCvKqHaFqGcTvAsAcTvKvLvSvIhSdQsPvSvLsSvQvAsLpVvAvLvEcTvGsLvGvVhQqLqIwEdRcSpTdRvKtViIhVgTdPpAvGnEvKvLcLnPvFvAsKvSvTvLvDvAvAvEvSvFvLvSvHcAvKvGvApNpGdSfLqTaGePeLaTeVeGeIeIePpTqAcApPvYlIlLpPvSqMlLvSvIcVcDvEpEpYvPvDrLhEdPyHhIyVhEyDdQfTlKvHvLvLvAvLcLqRvDvGvAvIhDfVkAyMkMdAfLpPpSsEpAdPpGqMkKd...
KEYRPTLAQLRTFVTIAECKHFGTAATKLSISQPSLSQALVALETGLGVQLIERSTRKVIVTPAGEKLLPFAKSTLDAAESFLSHAKGANGSLTGPLTVGIIPTAAPYILPSMLSIVDEEYPDLEPHIVEDQTKHLLALLRDGAIDVAMMALPSEAPGMKEIPLYDEDFIVVTASDHPFAGRQDLELSALEDLDLLLLDDGHSLHDQIVDLCRRGDVTRASSLTTVMQLVVAGLGSTLVPISAIPWECTRPGLATANFNSDVTANRRIGLVYRSSSSRAEEFEQFALILQRAFQEAVALAASTGITLKQN
6G1D_1_k12
0
-1.8
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s14
P23819
[C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][=Branch2][OH0][C@H1][OH0][C@H1][Branch1][Ring2][CH2][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][=N][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][C@H1][Ring2][Ring1][=N][OH0][CH2][CH2][CH2][CH2]...
CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O
RdAfIaGaVaSaEdRdPdPdLpLvQpTlIvPvLlSlLvQlHvLlFqAlMqFvGqAvTqVqLlVqPqVlLlFlHlIhNfPsAlTlVqLlLqFlNqGlIvGlTlLvLlYlLcFvIlClKvGsKrIfPaAfYgLkGgSfSdFlAlFqIrSvPlVqLvLvLcLsPvLvGpYsElVaAlLlGqGlFlIqMvClGlVvLvFlClLvVcSlFvIvVcKvKpAvGnTcGpWvLvDcVlLqFaPpPlAlAqMqGlAlIlVlAqVlIsGlLvEvLlAlGvVvAlAcGvMlAlGqLvLdPdAdEdGpQdTdPgDdSpKlTsIvIvIlSlIv...
RAIGVSERPPLLQTIPLSLQHLFAMFGATVLVPVLFHINPATVLLFNGIGTLLYLFICKGKIPAYLGSSFAFISPVLLLLPLGYEVALGGFIMCGVLFCLVSFIVKKAGTGWLDVLFPPAAMGAIVAVIGLELAGVAAGMAGLLPAEGQTPDSKTIIISITTLAVTVLGSVLFRGFLAIIPILIGVLVGYALSFAMGIVDTTPIINAHWFALPTLYTPRFEWFAILTILPAALVVIAEHVGHLVVTANIVKKDLLRDPGLHRSMFANGLSTVISGFFGSTPNTTYGENIGVMAITRVYSTWVIGGAAIFAILLSCVPKLA...
8OO1_1_k12
2
-6.7
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447315
P56817
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5HE4_2_k12
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8172
Q8A8Y4
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4UDI_3_k12
0
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s944
Q9UVX3
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4CAW_1_k12
1
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444205
P02699
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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6UT1_1_k12
0
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12000813
Q7NDN8
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CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@H](C(=O)O)C[C@@H]1O
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VEVLEVKTGVDAITEVECFLNPEMGDPDENLRGFSLKLSAENDFSSDSPERKMLPCYSTARIPLPNLNEDLTCGNLLMWEAVTVQTEVIGITSMLNLHAGSQKVHEHGGGKPIQGSNFHFFAVGGDPLEMQGVLMNYRTKYPDGTITPKNPTAQSQVMNTDHKAYLDKNNAYPVECWVPDPSRNENTRYFGTFTGGENVPPVLHVTNTATTVLLDEQGVGPLCKADSLYVSAADICGLFTNSSGTQQWRGLARYFKIRLRKRSVKEVLEVKTDAITEVECFLNPEMGDPDENLRGFSLKLSAENDFSSDSPERKMLPCYS...
4MJ0_2_k12
2
-5.4
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753
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3TBV_1_k12
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679
P35270
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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5RZ9_3_k12
0
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5274974
P50583
[CH0][Branch1][#Branch2][OH0][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH0][Branch1][Ring1][CH2][CH3][CH1][=CH1][Ring1][P]
CCc1ccc(Oc2ccccc2)c(O)c1
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4ALK_2_k12
1
-7.6
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174
Q64610
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5RZE_1_k12
0
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79025
B9K7M6
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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MITKVTARNNKITPVELLNQKFGNKINLGNFADAVFTDAAFKNVAGIANLPMKAPVMQVLMENCIVSKYLKQFVPDRSVCFVEEGQKFYIVLEDGQKIEVPEDVNKALKATVSDVKHWAGYLTEDGEHVIDLLKPAPGPHFYVNLLIGNRLGFKRTLQTTPKSVVDRFGRGSFRSHAATQVLATRFDMRQEENGFPANRQFYLYEDGKQIFYSALIDDNIVEATCKHSCNRTVIKYKTACNLEITRTIFLVPHKKGFPLATELQRIEIKNASDKARNLSITYTGMFGTGAVHAIFEDVTYTNVIMQSAALYNDKGEFIGI...
5NZ8_1_k12
0
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356
P02945
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
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5H2M_1_k12
0
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53313339
P9WPA7
[CH2][Branch2][Ring1][=Branch2][NH0][Branch2][Ring1][Ring2][CH0][=Branch1][C][=OH0][C@@H1][Branch1][Ring1][OH0][H][C@][Branch1][C][CH3][Branch1][C][CH3][CH2][OH0][H][H][CH2][CH0][Branch1][=C][NH0][Branch1][C][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][=OH0]
CCCCCCCCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO
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EPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL
3AVQ_2_k12
2
-6.5
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448055
P07550
[CH0][Branch1][=C][C@H1][CH2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][Ring1][#Branch1][=CH1][CH0][Branch1][=Branch2][OH0][C@@H1][CH2][CH2][CH2][CH2][Ring1][Branch1][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH1][Ring2][Ring1][Branch1]
COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1
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SIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPA
5OH8_1_k12
1
-8.1
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679
Q54S83
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
3ATL_1_k12
0
-2
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54294271
P78563
[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
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MKNIESLFDYSAGQFEFIDHLLTMGVGVHFAALIFFLVVSQFVAPKYRIATALSCIVMVSAGLILNSQAVMWTDAYAYVDGSYQLQDLTFSNGYRYVNWMATIPCLLLQLLIVLNLKGKELFSTATWLILAAWGMIITGYVGQLYEVDDIAQLMIWGAVSTAFFVVMNWIVGTKIFKNRATMLGGTDSTITKVFWLMMFAWTLYPIAYLVPAFMNNADGVVLRQLLFTIADISSKVIYGLMITYIAIQQSAAAGYVPAQQAL
7O8G_2_k12
2
-5.5
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