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
1005
P28482
[CH0][=Branch1][C][=CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H]
C=C(OP(=O)(O)O)C(=O)O
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2NWS_2_k12
2
-6.1
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174
Q5KTI5
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8OZA_3_k12
0
-2.2
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s623
P31335
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O=c1[nH]c2c(c(=O)[nH]1)NCN2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
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RQQLALLSVSEKAGLVEFARSLNALGLGLIASGGTATALRDAGLPVRDVSDLTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMNKQDFSLVRVVVCNLYPFVKTVSSPGVTVPEAVEKIDIGGVALLRAAAKNHARVTVVCDPADYSSVAKEMAASKDKDTSVETRRHLALKAFTHTAQYDAAISDYFRKEYSKGVSQLPLRYGMNPHQSPAQLYTTRPKLPLTVVNGSPGFINLCDALNAWQLVKELKQALGIPAAASFKHVSPAGAAVGIPLSEEEAQVCMVHDLHKTLTPLASAYARSRGADRMSSFGDFIALS...
1M9N_1_k12
1
-10.8
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P50163
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2763377
P9WIE5
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5S2H_1_k12
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446996
P28335
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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1UR0_1_k12
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8761
P05132
[NH0][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
O=C(O)CN(CCO)CCO
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6T81_1_k12
0
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447053
P06820
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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1INH_5_k12
0
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444205
Q5SIY4
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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6NAE_4_k12
0
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s259
P03303
[OH0][Branch2][Ring1][=Branch1][CH0][=CH1][CH1][=CH0][Branch1][N][CH1][OH0][CH2][C@H1][Branch1][C][CH3][NH0][Ring1][=Branch1][H][CH1][=CH1][Ring1][=N][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH1][OH0][NH0][Branch1][C][H][CH0][Branch1][C][CH3][=CH1][Ring1][#Branch1]
CC1=CC(CCCCCCCOc2ccc(C3N[C@@H](C)CO3)cc2)ON1
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1RUD_1_k12
1
-9.9
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64960
P04552
[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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5IIB_3_k12
2
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5288834
P37078
[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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SDDIRLIVKIAQLYYEQDMTQAQIARELGIYRTTISRLLKRGREQGIVTIAINYDYNENLWLEQQLKQKFGLKEAVVASSEEEQLSAMGQHGALLVDRLLEPGDIIGFSWGRAVRSLVENLPQRSQSRQVICVPIIGGPSGKLESRYHVNTLTYGAAARLKAESHLADFPALLDNPLIRNGIMQSQHFKTISSYWDSLDVALVGIGSPAIRDGANWHAFYGSEESDDLNARHVAGDICSRFYDINGGLVDTNMSEKTLSIEMAKLRQARYSIGIAMGEEKYSGILGALHGRYINCLVTNRETAELLLK
2W48_1_k12
0
-4.9
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753
Q9NRG4
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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LGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKEGLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHPERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLGFPDNDSLVVLFAQVNCNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSYIDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARNVIEEFRRAKHYKSPSELLEICELSQ...
3TG5_1_k12
0
-4.3
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s576
O60674
[CH0][Branch1][Branch1][CH2][OH0][CH1][=OH0][=CH0][Branch1][O][N+1][Branch1][C][H][=NH0][NH0][Branch1][C][H][H][CH1][=CH1][CH1][=CH1][Ring1][S]
NN=[NH+]c1ccccc1COC=O
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5XHG_3_k12
0
-3.3
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8172
P03456
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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4F5S_1_k12
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753
Q4U3Q4
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6TDC_2_k12
0
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444205
Q16850
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s997
P0A0K7
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5D6P_2_k12
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s1080
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][Branch1][Branch2][OH0][CH0][=Branch1][C][=OH0][CH2][CH3][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CC
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6MWD_3_k12
0
-4.5
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8117
Q3A902
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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2XZ8_2_k12
0
-2.5
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707029
Q5QF96
[CH1][=CH0][CH0][=Branch1][#Branch1][=CH1][CH1][=CH0][Ring1][=Branch1][ClH0][NH0][Branch1][C][H][CH0][=CH0][Ring1][#Branch2][CH2][CH2][CH2][C@@H1][Ring1][=Branch1][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0]
NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21
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4BV2_1_k12
1
-9.1
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444205
O00182
[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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HPAYPMPFITTILGGLYPSKSILLSGTVLPSAQRFHINLCSGNHIAFHLNPRFDENAVVRNTQIDNSWGSEERSLPRKMPFVRGQSFSVWILCEAHCLKVAVDGQHLFEYYHRLRNLPTINRLEVGGDIQLTHVQT
3NV3_1_k12
0
-4.1
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753
P15028
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
5EKJ_1_k12
0
-4
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174
P42330
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3UFY_1_k12
0
-3.2
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753
Q1M7F4
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MVETNRHFIDADPYPWPYNGALRPDNTALIIIDMQTDFCGKGGYVDHMGYDLSLVQAPIEPIKRVLAAMRAKGYHIIHTREGHRPDLADLPANKRWRSQRIGAGIGDPGPCGRILTRGEPGWDIIPELYPIEGETIIDHPGKGSFCATDLELVLNQKRIENIILTGITTDVCVSTTMREANDRGYECLLLEDCCGATDYGNHLAAIKMVKMQGGVFGSVSNSAALVEALPNRHFIDADPYPWPYNGALRPDNTALIIIDMQTDFCGKGGYVDHMGYDLSLVQAPIEPIKRVLAAMRAKGYHIIHTREGHRPDLADLPANK...
5BK6_2_k12
0
-3.8
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753
P30376
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SMPELSLTLFDEPSIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRGDLGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWAL...
8FRT_1_k12
0
-4
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s897
O81395
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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](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
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EKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDEADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQTFCTKNISYDFMIFEKQELKSIDDTVDLLGEIFGIRKMGNRHKFPKEEIYNTPSIRFGREHYEFQYLDLLSRVLENGAYRENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFEELIWFIKGDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHREE...
6PFI_3_k12
1
-10.7
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s325
Q9H930
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH1][=CH1][Ring1][=Branch1][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1C=COCC1
NdSdNqIaCaEqVqCaNrKhWhGdRdLwFdCaCaDpTpCdPgRhSiFhHdEqHvClHaIvPvSrVqEdAdNdKdNvPrWhShCgIlFvCvRvIlKvTvIvQcEvRvCpPvEcSlQlSaGaHdQaEpSvEvVqLqMpRaQfMpLdPpElEnQlLsKlClEsFvLlLlLsKlVlYsCsDpSvKlSlCvFvFfAaSdEwPdYdYaNdRdEpGpSfQdGaPdQpKdPtMaWgLsNvKvVlKsTvScLsNvEvQvMvYdTgRgVnEnGvFsVvQvDrMvRlLvIsFlHvNrHlKcErFgYcRpEpDpKpFsTnRvLsGsIvQvVs...
NSNICEVCNKWGRLFCCDTCPRSFHEHCHIPSVEANKNPWSCIFCRIKTIQERCPESQSGHQESEVLMRQMLPEEQLKCEFLLLKVYCDSKSCFFASEPYYNREGSQGPQKPMWLNKVKTSLNEQMYTRVEGFVQDMRLIFHNHKEFYREDKFTRLGIQVQDIFEKNFRNIFAIQETSENSNICEVCNKWGRLFCCDTCPRSFHEHCHIPSVEANKNPWSCIFCRIKTIQERCPESQSGHQESEVLMRQMLPEEQLKCEFLLLKVYCDSKSCFFASEPYYNREGSQGPQKPMWLNKVKTSLNEQMYTRVEGFVQDMRLIF...
5PX3_1_k12
0
-4.3
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174
Q14191
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
LdWdPdAaPdNdEpElQlVqTvClLcKcMlYqFpGnHdSnSgFqKdPpVvQlWrKvVlIqHcScVlLqEvEvRvRaDaNaVeAeVaMeAaTfGlYnGcKvSvLcCsFqQlYrPrPlVsYsVvGlKfIeGeLeVeIeSdPqLpIvSqLqMvEvDqQvVqLvQvLnKvMvSsNvIaPhAeCdFeLdGdSdAvQdSdEpNvVvLlTvDcIvKlLvGrKvYhRsIyVyYyVyTyPlEqYrCcSlGvNpMlGvLsLvQlQsLsEcAvDrIgGrIhTsLaIyAeVyDeEqAlHlClIlSdEpWvGsHlDnFhRdDpSsFlRqKsLl...
LWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMES...
7GQS_1_k12
0
-3.4
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8200
P0DTC2
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
QdCaVdNaLaTdTlRaTdQdLdPdPwAdYwTaNwSpFaTpRdGwVaYaYdPpDdKdVdFfRdSaSfVaLkHdSkTdQwDdLwFtLfPfFhFrSdNtVwTtWkFaHkAqIdHaVdSdGdTdNsGgThKgRgFdDdNwPdVkLdPwFqNpDqGwVkYkFkAkSkTqEdKdSqNcIfIfRfGwWkIkFwGaTdTpLlDaSqKvTfQwSiLwLtIfVgNdNqAqTwNkVtVkIiKwViCfEsFfQhFfChNpDhPfFeLwGeVwYeYqHeKvNpNvKrSdWiMgEtSdEdFgRrVtYtSdSdAtNdNdCiTdFdEiYdViSdQh...
QCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGSSGLEVLF
7B62_3_k12
0
-2.9
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95566081
P11278
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1ZYJ_1_k12
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64960
P03420
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6HTV_1_k12
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Q06187
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753
A9R7I1
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4XRP_1_k12
0
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Q9NRG4
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4WUY_1_k12
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174
P81762
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5PHV_1_k12
0
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s497
O94923
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C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1O
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4MO4_1_k12
1
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s1065
P18946
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CCCCCCCC(=O)O[C@@H](COC(=O)CCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C
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APNIRKSHPLLKMINNSLIDLPAPSNISAWWNFGSLLAVCLMTQILTGLLLAMHYTADTSLAFSSVAHTCRNVQYGWLIRNLHANGASFFFICIFLHIGRGLYYGSYLYKETWNTGVILLLTLMATAFVGYVLPWGQMSFWGATVITNLFSAIPYIGHTLVEWAWGGFSVDNPTLTRFFALHFLLPFAIAGITIIHLTFLHESGSNNPLGISSDSDKIPFHPYYSFKDILGLTLMLTPFLTLALFSPNLLGDPENFTPANPLVTPPHIKPEWYFLFAYAILRSIPNKLGGVLALAASVLILFLIPFLHKSKQRTMTFRPL...
3H1J_5_k12
2
-6.5
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753
P29991
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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TLGEKWKSRLNALGKSEFQIYKKSGIQEVDRTLAKEGIKRGETDHHAVSRGSAKLRWFVERNLVTPEGKVVDLGCGRGGWSYYCGGLKNVREVKGLTKGGPGHEEPIPMSTYGWNLVRLQSGVDVFFIPPERCDTLLCDIGESSPNPTVEAGRTLRVLNLVENWLSNNTQFCVKVLNPYMSSVIEKMEALQRKHGGALVRNPLSRNSTHEMYWVSNASGNIVSSVNMISRMLINRFTMRHKKATYEPDVDLGSGTRN
2P3L_2_k12
0
-3.2
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311
P39712
[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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DYIPEPMDLSLVDLPESLIQLSERIAENVHEVWAKARIDEGWTYGEKRDDIHKKHPCLVPYDELPEEEKEADRNTAMNTIKMVKKLGFRIEKED
6UAM_2_k12
0
-4.6
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176
P17728
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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KRPTRSELVDRFQKKIRAGEPIIGGGAGTGLSAKSEEAGDIDLIVIYNSGRYRMAGRGSLAGLLAYGNANQIVVDMAREVLPVVRHTPVLAGVNGTDPFMVMSTFLRELKEIGFAGVQNFPTVGLIDGLFRQNLEETGMSYAQEVEMIAEAHKLDLLTTPYVFSPEDAVAMAKAGADILVCHMGLTGKSMDDCVSLINECIEAARTIRDDIIILSHGGPIANPEDARFILDSCQGCHGFYGASSMERLPAEEAIRSQTLAFKAIRRQPRPTRSELVDRFQKKIRAGEPIIGGGAGTGLSAKSEEAGDIDLIVIYNSGRYR...
2P10_1_k12
0
-4
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156613438
P0DTC1
[CH0][=Branch1][C][=OH0][Branch2][Ring1][Ring1][NH0][Branch1][C][H][CH2][CH2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][CH2][SH0][H][C@@H1][Branch1][P][C@][Branch1][C][CH3][Branch1][C][CH3][CH2][OH0][PH0][Branch1][Ring1][OH0][H][OH0][H][OH0][H]
CC(C)(COP(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS
PdGaSqVwRdVwVdRdGdRqGlLeLiReAtVeLrDeRpPvEvRqRlNsPeIdDdApGrLsLlTvSvLlAvRvAsLlDvQvAqElSvDpQqDsCrRaVaFyVeLySaSyTdGyEqDhFrCyAaGyThDrLpScEdPdLaPdDpGlArEfLpPsYlWlTvLvLlEvRcLqTlRqSpPlLhAqTyVeAyVwVfDaGhReAqTeAaGsGsVlGlLnArAlAsCgDpLaVyLfAaGaEqRhAyRkFyRwLyTcEqVvLlAlGvLaVdPsAqMsAsLqPvFsVqAcRvRfTqGpEdQvRcAsFvAvAsTnLvRvArEdEmFdDhAq...
PGSVRVVRGRGLLRAVLDRPERRNPIDAGLLTSLARALDQAESDQDCRVFVLSSTGEDFCAGTDLSEPLPDGAELPYWTLLERLTRSPLATVAVVDGRATAGGVGLAAACDLVLAGERARFRLTEVLAGLVPAMALPFVARRTGEQRAFAATLRAEEFDAGAAHRVGLADLAGPRAEDLLPPVLAGLGRTDRSTTAALKEYRARLFPRDARLGHDASRLLIERFAGTGQLLARLREAGDPAPVARALREELARTLYCEPGDIDDEASFNTLGLDSILGVEFVAFVNQTYGLDEKAGILYDHPSLAALSRHVAGRAA
8AHQ_1_k12
0
-4.3
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s660
O95819
[CH0][Branch2][Ring1][=Branch2][NH0][CH2][CH2][CH2][C@H1][Branch1][#C][CH1][CH0][Branch1][C][CH3][=CH1][NH0][Branch1][C][H][NH0][Ring1][#Branch1][H][CH2][Ring1][=C][=CH1][CH1][=CH0][CH0][=Branch2][Ring1][C][=CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH2][NH0][Ring1][#Branch2][H][NH0][Ring2][Rin...
CC1=CNNC1[C@H]1CCCN(C2=CC=C3NCNC(N)=C3N2)C1
SdLfRaDaPcAvGqIaFkEdLfVpEaVcVpGpNvGcTpYvGhQqVkYgKwGiRaHgVnKpTpGrQfLiAwAiIkKrVkMdDdVdTvKpYqSqHpHdRqNaIaAfTaYwYdGaAkFhIwKaKdSdPvPcDtQiLiWiLtViMtEhFdCaGqAlGaSfIvTlDvLvVlKvNlTdKvGqNsTaLdKdElDlWlIlAlYqIqSlRlEsIvLlRsGsLlAvHsLcHvIvHvHpVwIaHqRqDdIdKaGrQrNqVwLgLhThElNqAgEgVtKhLgVdDnFgGdVdNdTdFdIdGdTaPqYqWlMfAaPlElVqIqAcCdDdEvNn...
SLRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVTKYSHHRNIATYYGAFIKKSPPDQLWLVMEFCGAGSITDLVKNTKGNTLKEDWIAYISREILRGLAHLHIHHVIHRDIKGQNVLLTENAEVKLVDFGVNTFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDMHPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKHPFIRDQPNERQVRIQLKDHIDRTR
4U42_1_k12
1
-9.8
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90655273
P46922
[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
AdSaGfAaLeVeFeYdSdApVpDdIdGqQvDqWlKvSvAqLlQcAvAlHpPpGpLhDhVyRwIyAaRdAyGpDqGrHdVtEdGdDdPlEqErVhRaYeAyLeVyWeKpPhPdHpGcFnFpAvRsFrPpNnLhKaLeVyIeNyLqGaAlGaVcDqAvLvVlAvRhDpDnLnPdDpVhPwVyTfRyLfSqDfPpNvMlSlQvMlMlAlSvFlVvLvFvCqVvLvRcHvAqRqDpIvPlTvFvEvRvAcQvRvEvGvRhWdHdYdVdHdPhRdTqAqAlEvIaReVaGeVeLeGdLcGpDsLnGrAvAsAnAqLvEvLsAqRv...
ASGALVFYSAVDIGQDWKSALQAAHPGLDVRIARAGDGHVEGDPEEVRYALVWKPPHGFFARFPNLKLVINLGAGVDALVARDDLPDVPVTRLSDPNMSQMMASFVLFCVLRHARDIPTFERAQREGRWHYVHPRTAAEIRVGVLGLGDLGAAAALELARHGFDVRGWSRTPKALEGVSCFHGLEALPGFLAGSEIVVVMLPLTPETRGLMNAERLAHLPRGAKFINVARGPVVDEAALIAALRSGHIAEATLDVFEVEPLPVGSPLWAMDNVLVTPHLASIAIPRTAAPQIVENIRRIEAGEPVLNQVDPRRGY
5VG6_1_k12
2
-5.1
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176
P03369
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CC(=O)O
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4OBJ_1_k12
0
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s737
O32164
[CH0][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH0][Branch2][Ring1][Ring1][C@H1][NH0][Branch1][C][H][C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][SH0][Ring1][#Branch2][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][CH2][Ring2][Ring1][O]
CC1=C(O)C([C@H]2N[C@@H](C(=O)O)CS2)=C(COP(=O)(O)O)CN1
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7XEK_2_k12
1
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s691
P00374
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CN1C2=C(C=CCN2)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl
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5AL3_2_k12
1
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57496888
P29274
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3AG1_2_k12
1
-7.5
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753
P11609
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6T3Y_1_k12
0
-2.6
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753
P31129
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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EVQLQQSGPELVKPGASVKISCKASGYTFTDYYMNWVKLSHGKSLEWIGDIVPNNGDTTYNQNFRGKATLTVDKSSSTAYMELRSLTSEDSAVYYCARFSNYVYPFDYWGQGTTLTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAILQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRDIQMTQTTSSLSASLGDRVTISCRASQDISNFLNWYQQKPDGTVKLLIYYTSRLHSGVPSRFSGSGSGTDFSLTISKLEQEDIATYFCQQGNTLPLTFGAG...
3WIH_1_k12
0
-3
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s114
Q9Y233
[CH0][Branch2][Ring1][=N][NH0][Branch2][Ring1][Branch2][CH0][=Branch1][C][=OH0][CH1][NH0][Branch1][#Branch1][CH2][C@@H1][Branch1][C][CH3][CH3][NH0][Branch1][C][H][CH1][=CH0][Ring1][#Branch2][ClH0][H][=CH1][CH1][=CH0][CH0][=Branch1][Branch1][=CH1][Ring2][Ring1][Branch1][NH0][Branch1][C][H][CH1][Branch1][=Branch2][CH0][=...
CC(C)CN1NC=C(Cl)C1C(=O)Nc1ccc2c(c1)NC(c1ccccc1)N2
GdLvMdQaFlTdLdPdVvRvLcCnKvEcIlElLpFlHqFdDqIpGdPdFpEpNvMcWlPlGsIvFlVvYnMlVcHcRvSlCqGnTpSpClFfEdLpEqKlLsCsRqFlIlMvSvVqKqKvNqYaRdRpVaPlYaHlNhWqKsHlAlVsTqVlAlHsCnMlYsAnIlLsQvNlNvHvTpLlFdTdDsLlElRsKvGlLlLsIlAlCsLnCqHlDqLgDnHpRpGlFdSdNlSvYlLcQvKlFvDvHpPpLlAcAvLvYpSvTpSlTsMrElQvHvHsFlSvQvTsVvSvIsLcQpLpEpGsHnNvIrFcSvTpLpSdSpSv...
GLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEE
5SJW_2_k12
1
-9
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311
Q07343
[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
NdDqPvSqQpVcKvTvLlQcEvKqAqGnKqGaAaGqTaVeVeAeVeIeDeAqGdFcDvKvNvHlEaAqWlRpLdTaDaKdTpKdAyRaYlQqSdKpEvDsLcEvKvAlKcKvEvHlGvIhTdYqGwEdWqVdNhDhKqVaAgYtYeHgDeYfSvKpDpGdKdTdAdVdDdQpEnHcGcTvHpVvSvGvIdLdSdGdNgAgPgSdEnTpKqEpPpYfRhLlEqGqArMrPsEnAhQhLyLhLyMyRnVaEaIdVdNpGdLpAqDrYsAqRlNsYvAlQvAsIlRvDvAsIvNsLvGgAhKlVfIyNeMdSdFhGyNpAfAl...
NDPSQVKTLQEKAGKGAGTVVAVIDAGFDKNHEAWRLTDKTKARYQSKEDLEKAKKEHGITYGEWVNDKVAYYHDYSKDGKTAVDQEHGTHVSGILSGNAPSETKEPYRLEGAMPEAQLLLMRVEIVNGLADYARNYAQAIRDAINLGAKVINMSFGNAALAYANLPDETKKAFDYAKSKGVSIVTSAGNDSSFGGKTRLPLADHPDYGVVGTPAAADSTLTVASYSPDKQLTETVRVKTADQQDKEMPVLSTNRFEPNKAYDYAYANRGTKEDDFKDVKGKIALIERGDIDFKDKIAKAKKAGAVGVLIYDNQDKGFPI...
1XF1_1_k12
2
-6.3
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444205
Q3YY58
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6DXZ_5_k12
0
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s525
P04585
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1BWA_1_k12
1
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8019
Q13526
[CH2][Branch1][Ring1][OH0][CH3][CH2][OH0][H]
COCCO
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7D7P_2_k12
0
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s655
P12864
[CH2][Branch1][N][N@@+1][Branch1][C][H][CH2][CH2][OH0][CH2][CH2][Ring1][#Branch1][CH2][S@][Branch1][C][OH1][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CC[NH+]1CCOCC1
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4ZL8_1_k12
2
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446996
Q02745
[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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2WNF_3_k12
0
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4FTD_1_k12
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s315
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5T7B_2_k12
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444205
Q7K4Y6
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4XP1_3_k12
0
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445395
Q5JGP4
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Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2
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6RHT_1_k12
1
-11.6
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447053
Q92PX0
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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8IDM_2_k12
0
-3.2
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174
P21836
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
EdDdPpQlLqLwVfRaVaRpGqGgQiLeRgGwIdRwLdKdAdPlGqGgPiVkStAkFfLaGfIaPaFqAfEdPqPcVaGqSlRnRqFqMhPaPtEhPgKdRhPhWdSdGdVyLhDyArTyTdFhQdNaVaCeYdQfYdVaDdTdLlYpPpGpFfEcGqTrEvMlWfNgPgNpRhEhLySdEsDrCfLwYgLkNmVkWmTfPgYpPnRfPdApSaPaTaPaVeLeIeWeIeYeGdGdGlFqYgSgGgAdAcSpLrDpVlYnDdGqRhFlLlAcQhVpEvGrAhViLyVmSyMtNhYfRhVgGfTcFrGqFaLqAaLlPfGp...
EDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLV...
7QB4_1_k12
0
-3
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s228
P0DTC1
[NH0][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1][CH2][C@@H1][Branch1][C][CH3][C@H1][NH0][Branch1][O][CH0][=CH0][Ring1][#C][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][C@@H1][Branch1][C][CH3][NH0][Branch1][C][H][NH0][Ring1][=N][H]
C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2N2[C@@H](C)NN[C@@H]12
GdSaTfNdPdPdPdPdEdTqSdNdPpNpKaPaKfRdQdTdNqQqLlQvYcLcLqRpVpVqLlKvTvLlWcKpHdQpFlAqWvPcFqQqQdPwVdDpAcVnKvLvNvLnPvDcYlYcKvIfIqKvTpPtMaDgMsGvTsIlKnKsRnLsEvNnNrYvYdWhNdAvQvEvCsIvQvDrFlNvTsMnFlTvNsCqYpIrYvNdKdPpGpDdDvInVnLvMsAsEvAvLsEvKvLsFnLcQvKsIvNvEdLgPdTd
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4X2I_1_k12
1
-9.7
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268737
Q02127
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH0][Branch1][Ring1][OH0][H][CH1][=CH0][Branch1][C][BrH0][CH1][=CH1][Ring1][=N]
O=C(O)c1ccc(Br)cc1O
MdGdPlGqFvDvFvAlQvAvIqMqKvKfNfTwVwIwAkRdTaEpKvGgEiFfTtMwLgGaVaYkDfRqVkAiVkIfPfTvHvAsSvVdGdEqIwIiYqItNnDnVdEiTkRgVwLpDdAkCdAqLdRaDdLpTvDrTaNgLlErIiTiIiVtKrLiDrRdNpQdKiFgRdDhIlRlHqFqLaPaRaCdEqDdDkYdNfDfAkVkLwSaVtHdTdSpKvFdPhNgMdYiIhPgVqGgQtVkTdNqYpGaFwLdNcLqGvGnTgPtThHgRrIkLiMkYtNqFqPqTdRdApGrQsCfGqGtVwViTaTgTnGsKhVgIfGf...
MGPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYINDVETRVLDACALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYNDAVLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGGVVTTTGKVIGIHVGGNGAQGFAAMLLHSYFTDGPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYINDVETRVLDACALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYNDAVLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMY...
7GPY_2_k12
0
-4.9
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s80
Q9KPS2
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Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)O)c1[nH]c(=O)[nH]c(=O)c1N2
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8AD0_4_k12
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57496888
P00396
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2EIJ_5_k12
2
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439357
O60885
[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][Ring2][CH2][OH0][H][OH0][Ring1][P]
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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1LTA_1_k12
0
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s640
P19139
[CH0][Branch2][Ring1][#C][NH0][Branch1][C][H][CH1][NH0][Branch1][C][CH3][NH0][Branch1][C][H][CH0][Branch1][N][CH0][=CH0][Branch1][C][CH3][CH1][=CH1][CH1][=CH1][Ring1][#Branch1][=CH1][Ring1][=C][=CH1][CH0][Branch1][Ring1][OH0][H][=CH1][CH0][Branch1][Ring1][OH0][H][=CH0][Ring2][Ring1][#Branch2][CH0][=Branch1][C][=OH0][NH...
Cc1ccccc1C1=CC(Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)N(C)N1
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QAEISQLLDLIINTFYSNKEIFLRELISNSSDALDKIRYAALTDPSQLDSEKDLYIRIIPNKEEGTLTIRDTGIGMTKADLVNNLGTIAKSGTKAFMEALSSGADISMIGQFGVGFYSSYLVAEKVQVTTKHNDDEQYIWESAAGGTFTITEDTEGPRLGRGTSMKLFIKEDLKEYLEEKRIREIVKKHSEFISYPIQLVVTKET
7K9V_1_k12
1
-12.1
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s617
B0R5M0
[NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][=CH0][Ring1][#Branch2][NH0][Branch1][#C][CH2][CH2][CH2][CH2][NH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][H][CH0][=CH1][CH0][Branch1][C][CH3][=CH0][Branch1][C][CH3][CH1][=CH0][Ring1][Branch2][NH0][Ring2][Ring1][=Bra...
Cc1cc2c(cc1C)N(CCCCNC(=O)O)c1[nH]c(=O)[nH]c(=O)c1N2
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VFKKVLLTGTSEESFTAAADDAIDRAEDTLDNVVWAEVVDQGVAIGAVRTYQTEVQVAFELD
2VKG_1_k12
2
-5.1
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174
P42212
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6DPB_1_k12
0
-2.1
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444655
P35032
[CH0][=Branch1][=Branch1][=N+1][Branch1][C][H][H][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
NC(=[NH2+])c1ccccc1
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IVGGYECKAYSQPHQVSLNSGYHFCGGSLVNENWVVSAAHCYKSRVEVRLGEHNIKVTEGSEQFISSSRVIRHPNYSSYNIDNDIMLIKLSKSATLNTYVQPVALPSSCAPAGTMCTVSGWGNTMSSTADKNKLQCLNIPILSYSDCNNSYPGMITNAMFCAGLEGGDSCQGDSGGPVVCNGELQGVVSWGYGCAPGNPGVYAKVCIFNDWLTSTMAYKE
1MBQ_1_k12
2
-5.8
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174
P10378
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNHKRKGYSAGERIVDIIATDIQSSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNHKRKGYSAGERIVDIIATDIQ
4CF9_1_k12
0
-3.5
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s45
P90463
[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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LSWSEAFGKGAGRIQASTIRELLKGILSFAGGLPAPELFPKEEAAEAAARILREKGEVALQYSPTEGYAPLRAFVAEWIGVRPEEVLITTGSQQALDLVGKVFLDEGSPVLLEAPSYMGAIQAFRLQGPRFLTVPAGEEGPDLDALEEVLKRERPRFLYLIPSFQNPTGGLTPLPARKRLLQMVMERGLVVVEDDAYRELYFGEARLPSLFELAREAGYPGVIYLGSFSKVLSPGLRVAFAVAHPEALQKLVQAKQGADLHTPMLNQMLVHELLKEGFSERLERVRRVYREKAQAMLHALDREVPKEVRYTRPKGGMFVW...
2Z1Y_1_k12
1
-8.1
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146627897
P02945
[NH0][Branch1][C][H][Branch2][Ring1][#Branch1][CH0][=CH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][Ring1][Branch2][=CH1][CH1][=CH1][Ring1][N][CH2][CH2][CH2][CH0][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][CH1][=CH1][Ring1][Branch2]
O=C1NC(=O)c2c(NCCCc3ccccc3O)cccc21
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MKGDKKVIQHLNKILGNELIAINQYFLHSRMWNDWGLKRLGAHEYHESIDEMKHADKLIERILFLEGLPNLQDLGKLLIGENTQEMLQCDLNLELKATKDLREAIVHCEQVHDYVSRDLLKDILESEEEHIDYLETQLGLIQKVGLENYLQSHMHMKGDKKVIQHLNKILGNELIAINQYFLHSRMWNDWGLKRLGAHEYHESIDEMKHADKLIERILFLEGLPNLQDLGKLLIGENTQEMLQCDLNLELKATKDLREAIVHCEQVHDYVSRDLLKDILESEEEHIDYLETQLGLIQKVGLENYLQSHMH
7K5G_1_k12
2
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445318
O14684
[C@@H1][Branch1][#Branch2][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][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][Ring2][Ring1][Branch2]
CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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SLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCRSDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGKLRAPIRSVTYTLAQLPCASMALQILWEAARHL
4YL0_4_k12
0
-4.3
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91476749
P0DJV7
[CH0][Branch1][C][FH0][=CH1][CH0][Branch1][=Branch2][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH3][=CH1][CH1][=CH0][Ring1][O][NH0][Branch1][C][H][CH2][CH3]
CCNc1ccc(S(C)(=O)=O)cc1F
HdAdFaKdPfGlDfLwVkFqAfKdMdKpGpYdPaHrWfPtAwRtIfDhDdIaApVdKdPaPdPpNqKwYtPwIiFqFtFaGqTvHrEdTiAdFtLhGhPvKvDrLiFgPgYcDvKvSpKcDvKpYrGlKdPdNdKdRpKhGrFrNvErGsLsWcEcInQvNpNpPpHpAdSdYd
HAFKPGDLVFAKMKGYPHWPARIDDIAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASY
7HG5_1_k12
2
-5.3
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[0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
174
P58358
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
TdAdIdTaRlAvTvFcDvEvVdIdLdPpVpYdAdPdAdDrFwIaPwVdKaGwKdGfSqRwVtWaDtQpQvGrKfEiYfIgDeFqAcGlGvIpAqVfTlAqLrGtHgCpHdPvAlLlVvEvAlLlKvSvQlGvEvTpLaWwHfTdSdNlVvFdTdNdEvPlAqLlRlLlGlRvKvLvIvDvAqTaFvAfEqRaVkLeFkMdNfSaGqTlEvAlNvEvTvAvFlKvLlAlRlHlYlAcCpVvRvHpShPnFqKlTrKaIeIeAaFeHaNqAaFqHrGdRqSdLlFaTrVvSvVsGgGrQdPcKvYrSnDpGdFpGpPdKgPd...
TAITRATFDEVILPVYAPADFIPVKGKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTSNVFTNEPALRLGRKLIDATFAERVLFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGRSLFTVSVGGQPKYSDGFGPKPADIIHVPFNDLHAVKAVMDDHTCAVVVEPIQGEGGVQAATPEFLKGLRDLCDEHQALLVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIASAFGSTYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHLQAIDEQFD...
4JEW_3_k12
0
-3.7
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P30376
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3O4L_2_k12
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6YN2_2_k12
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5288834
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P00918
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5GZ6_3_k12
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64960
Q05603
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RPINPDVVNRPLVICGPSGTGKSTLLKTLFESQPNTFGFSVSHTTRKPRPGEENGREYHFVTKEEFMEGVGKGEFLEWAEFGGNCYGTTFAALTALHPRRCILDIELQGVLQLKAKAPLQTPPLEPVFLFLSPPSISQLKSRLSGRGTETDASIRKRLDAAKEELRYAKEGKYDVYVVNDDLKVAGEKLEKVAMGWEGWKTCGDTLPELNLAELD
6MFU_2_k12
1
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s440
O34374
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Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](N3CNC4=C(N)NCNC43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2
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KAFDLVVIGAGSGGLEAGWNAATLYGKRVAVVDVQTSHGPPFYAALGGTCVNVGCVPKKLMVTGAQYMDHLRESAGFGWEFDGSSVKANWKKLIAAKNEAVLDINKSYEGMFNDTEGLDFFLGWGSLESKNVVVVRETADPKSAVKERLQADHILLATGSWPQMPAIPGIEHCISSNEAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPPGGKVTLCYRNNLILRGFDETIREEVTKQLTANGIEIMTNENPAKVSLNTDGSKHVTFESGKTLDVDVVMMAIGRIPRTNDLQLGNVGVKLTPKGGVQVDEFSRTNVPNI...
5S9V_3_k12
1
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753
P16094
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLMHLFNYDGNTITVAVDVTNVYIMGYLALTTSYFFNEPAADLASQYVFRSARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGALLVLIQTTAEAARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQLAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLLLNTKNI
4RZJ_1_k12
0
-3.3
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P15090
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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2JIL_1_k12
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753
O60885
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MDIKINDITLGNNSPFVLFGGINVLESLDSTLQTCAHYVEVTRKLGIPYIFKASFDKANRSSIHSYRGVGLEEGLKIFEKVKAEFGIPVITDVHEPHQCQPVAEVCDVIQLPAFLARQTDLVVAMAKTGNVVNIKKPQFLSPSQMKNIVEKFHEAGNGKLILCERGSSFGYDNLVVDMLGFGVMKQTCGNLPVIFDVTHSLQGRRAQALDLALAGMATRLAGLFLESHLLEDFLIRIKALDDLIKSQPILT
3STF_1_k12
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2FUQ_4_k12
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s43
P14193
[CH1][Branch1][Branch2][CH0][=CH1][CH1][=CH1][OH0][Ring1][Branch1][NH0][Branch1][C][H][NH0][Branch1][C][CH3][CH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][OH1][=CH1][Ring1][#C]
CN1NC(c2ccco2)C=C1C(=O)O
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6VS6_2_k12
2
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13847
Q92Z29
[OH0][Branch1][Branch1][CH2][CH2][OH0][CH3][CH2][CH2][OH0][CH2][CH3]
CCOCCOCCOC
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STAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSAAPFGPWKELSTYTSARAGASTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERFPGMPESTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTS...
3ZN2_1_k12
0
-3.2
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6503
P57708
[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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1DZ9_2_k12
0
-3.3
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