target_chembl_id stringlengths 9 13 | molecule_chembl_id stringlengths 7 13 | canonical_smiles stringlengths 1 331 | sequence stringlengths 93 7.1k | uniprot_id stringlengths 6 10 | standard_value float64 0 561k | active int64 1 1 | heavy_atoms int64 1 100 | split stringclasses 1
value | __index_level_0__ int64 0 894k |
|---|---|---|---|---|---|---|---|---|---|
CHEMBL6141 | CHEMBL77443 | CCCCCC(C)OC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 1,060 | 1 | 26 | train | 890,314 |
CHEMBL6141 | CHEMBL77583 | CCCCCCCCC(c1ccccc1)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 1,100 | 1 | 34 | train | 890,315 |
CHEMBL6141 | CHEMBL77841 | CCCCCCCCCCCSC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 210 | 1 | 30 | train | 890,316 |
CHEMBL6141 | CHEMBL77842 | CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(Oc2ccc(F)cc2)cc1)C1CCCCCC1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 30 | 1 | 37 | train | 890,317 |
CHEMBL6141 | CHEMBL77898 | CCCCCCCCCCCCS(=O)(=O)N(C)C(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 86 | 1 | 32 | train | 890,318 |
CHEMBL6141 | CHEMBL77900 | CCCCCCCCC(C)OC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 750 | 1 | 29 | train | 890,319 |
CHEMBL6141 | CHEMBL78075 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cc[nH]n3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 52 | 1 | 32 | train | 890,320 |
CHEMBL6141 | CHEMBL78142 | CCCCCCCCCCCCOC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 120 | 1 | 31 | train | 890,321 |
CHEMBL6141 | CHEMBL78143 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 980 | 1 | 31 | train | 890,322 |
CHEMBL6141 | CHEMBL78144 | Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3ccnn3C)c2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 35 | 1 | 33 | train | 890,323 |
CHEMBL6141 | CHEMBL78193 | CCCCCCCCSC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 160 | 1 | 27 | train | 890,324 |
CHEMBL6141 | CHEMBL78361 | CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 110 | 1 | 31 | train | 890,325 |
CHEMBL6141 | CHEMBL78384 | CCCCCCCCCCCOC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 140 | 1 | 30 | train | 890,326 |
CHEMBL6141 | CHEMBL78387 | CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1ccc(-c2ccn(C)n2)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 29 | 1 | 35 | train | 890,327 |
CHEMBL6141 | CHEMBL78394 | CCCCCCCC(C)OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 97 | 1 | 28 | train | 890,328 |
CHEMBL6141 | CHEMBL78425 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 26 | 1 | 32 | train | 890,329 |
CHEMBL6141 | CHEMBL78506 | CCCCCCCCCCCCCCN(C)C(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 1,700 | 1 | 34 | train | 890,330 |
CHEMBL6141 | CHEMBL78522 | CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)Oc1cccc2ccccc12 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 3,700 | 1 | 29 | train | 890,331 |
CHEMBL6141 | CHEMBL78542 | CCCCCCCCC(C)OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 270 | 1 | 29 | train | 890,332 |
CHEMBL6141 | CHEMBL78558 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccccn3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 33 | 1 | 33 | train | 890,333 |
CHEMBL6141 | CHEMBL78577 | CCCCCCCCCCCCSC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 16 | 1 | 31 | train | 890,334 |
CHEMBL6141 | CHEMBL78597 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cnn(C)c3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 47 | 1 | 33 | train | 890,335 |
CHEMBL6141 | CHEMBL78626 | CCCCCCCCCCC(C)OC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 350 | 1 | 31 | train | 890,336 |
CHEMBL6141 | CHEMBL78643 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 24 | 1 | 33 | train | 890,337 |
CHEMBL6141 | CHEMBL78677 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cn[nH]c3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 270 | 1 | 32 | train | 890,338 |
CHEMBL6141 | CHEMBL78717 | CCCCCCCCCCSC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 130 | 1 | 29 | train | 890,339 |
CHEMBL6141 | CHEMBL78737 | CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1ccc(-c2ccnn2C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 27 | 1 | 35 | train | 890,340 |
CHEMBL6141 | CHEMBL78754 | CCCCCCCCOC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 250 | 1 | 27 | train | 890,341 |
CHEMBL6141 | CHEMBL78773 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3nnc(C)o3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 27 | 1 | 33 | train | 890,342 |
CHEMBL6141 | CHEMBL78814 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cnco3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 200 | 1 | 32 | train | 890,343 |
CHEMBL6141 | CHEMBL78828 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N1c2ccccc2Sc2ccccc21 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 1,900 | 1 | 32 | train | 890,344 |
CHEMBL6141 | CHEMBL78829 | CCCCCCCCCCC(C)OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 49 | 1 | 31 | train | 890,345 |
CHEMBL6141 | CHEMBL78833 | CCCCCCCCCCCCC(C)(C)OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 21 | 1 | 34 | train | 890,346 |
CHEMBL6141 | CHEMBL78861 | CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1ccc(-c2cc[nH]n2)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 55 | 1 | 34 | train | 890,347 |
CHEMBL6141 | CHEMBL78869 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cccnc3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 130 | 1 | 33 | train | 890,348 |
CHEMBL6141 | CHEMBL78870 | O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccccc1)Cc1cccc(-c2cc[nH]n2)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 14 | 1 | 32 | train | 890,349 |
CHEMBL6141 | CHEMBL78948 | CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)SCc1ccc(Cl)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 160 | 1 | 27 | train | 890,350 |
CHEMBL6141 | CHEMBL79001 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3nccn3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 130 | 1 | 32 | train | 890,351 |
CHEMBL6141 | CHEMBL79050 | CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)Oc1ccccc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 1,800 | 1 | 25 | train | 890,352 |
CHEMBL6141 | CHEMBL79107 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccccc3)nc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 260 | 1 | 33 | train | 890,353 |
CHEMBL6141 | CHEMBL79144 | CSc1cc(C)nc(SC)c1NC(=O)N(Cc1cccc(-c2cc[nH]n2)c1)C1CCCCCC1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 260 | 1 | 34 | train | 890,354 |
CHEMBL6141 | CHEMBL79146 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N(Cc1ccccc1)Cc1ccccc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 1,040 | 1 | 33 | train | 890,355 |
CHEMBL6141 | CHEMBL79147 | CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)SCCCc1ccccc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 69 | 1 | 28 | train | 890,356 |
CHEMBL6141 | CHEMBL79163 | CCCCCCOC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 53 | 1 | 25 | train | 890,357 |
CHEMBL6141 | CHEMBL79179 | CCCCCCCCCCCCCCC(C)OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 58 | 1 | 35 | train | 890,358 |
CHEMBL6141 | CHEMBL79237 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3ccnc3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 47 | 1 | 32 | train | 890,359 |
CHEMBL6141 | CHEMBL79600 | CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)OCCCc1ccccc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 660 | 1 | 28 | train | 890,360 |
CHEMBL6141 | CHEMBL79602 | CN(C)c1ccc(CN(Cc2cccc(-c3cc[nH]n3)c2)C(=O)Nc2c(F)cc(F)cc2F)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 12 | 1 | 35 | train | 890,361 |
CHEMBL6141 | CHEMBL80134 | CCCCCCCC(C)OC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 390 | 1 | 28 | train | 890,362 |
CHEMBL6141 | CHEMBL80201 | CC(C)(C)c1cccc(C(C)(C)C)c1OC(=O)NC(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 1,200 | 1 | 35 | train | 890,363 |
CHEMBL6141 | CHEMBL80229 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccn(C)n3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 44 | 1 | 33 | train | 890,364 |
CHEMBL6141 | CHEMBL80281 | CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)N(c1ccccc1)c1ccccc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 170 | 1 | 31 | train | 890,365 |
CHEMBL6141 | CHEMBL80288 | Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3cn[nH]c3)c2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 38 | 1 | 32 | train | 890,366 |
CHEMBL6141 | CHEMBL80332 | CCCCCCCCCCCCCCOC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 10 | 1 | 33 | train | 890,367 |
CHEMBL6141 | CHEMBL80396 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 22 | 1 | 32 | train | 890,368 |
CHEMBL6141 | CHEMBL80449 | CCCCCC(C)OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 102 | 1 | 26 | train | 890,369 |
CHEMBL6141 | CHEMBL80561 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N1CCC(c2ccccc2)CC1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 890 | 1 | 30 | train | 890,370 |
CHEMBL6141 | CHEMBL80585 | CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1cccc(-c2ccnn2C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 28 | 1 | 35 | train | 890,371 |
CHEMBL6141 | CHEMBL80607 | Cc1cc(C)c(NC(=O)N(Cc2cc(-c3ccccc3)[nH]n2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 520 | 1 | 32 | train | 890,372 |
CHEMBL6141 | CHEMBL80634 | Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3ccn(C)n3)c2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 42 | 1 | 33 | train | 890,373 |
CHEMBL6141 | CHEMBL80720 | CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)SCc1ccco1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 470 | 1 | 25 | train | 890,374 |
CHEMBL6141 | CHEMBL80742 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccnn3C)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 24 | 1 | 33 | train | 890,375 |
CHEMBL6141 | CHEMBL80751 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3n[nH]c(C)n3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 120 | 1 | 33 | train | 890,376 |
CHEMBL6141 | CHEMBL80752 | CC(C)c1cccc(C(C)C)c1NC(=O)N(C)C(=O)N(c1ccccc1)c1ccccc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 440 | 1 | 32 | train | 890,377 |
CHEMBL6141 | CHEMBL80762 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccccc3)o2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 44 | 1 | 32 | train | 890,378 |
CHEMBL6141 | CHEMBL80763 | CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(F)cc1)Cc1cccc(-c2cc[nH]n2)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 250 | 1 | 35 | train | 890,379 |
CHEMBL6141 | CHEMBL80780 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3cccn3)cc2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 70 | 1 | 32 | train | 890,380 |
CHEMBL6141 | CHEMBL80818 | CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)OCc1ccccc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 77 | 1 | 26 | train | 890,381 |
CHEMBL6141 | CHEMBL80825 | CCCCC(C)(C)OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 64 | 1 | 26 | train | 890,382 |
CHEMBL6141 | CHEMBL80836 | CCCCCCCCCCCCC(C)(C)OC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 65 | 1 | 34 | train | 890,383 |
CHEMBL6141 | CHEMBL80841 | CCCCCCCCCCCCOC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 21 | 1 | 31 | train | 890,384 |
CHEMBL6141 | CHEMBL80973 | O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccc(-n2cccc2)cc1)C1CCCCCC1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 27 | 1 | 32 | train | 890,385 |
CHEMBL6141 | CHEMBL81392 | CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(-c2cc[nH]n2)cc1)C1CCCCCC1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 100 | 1 | 34 | train | 890,386 |
CHEMBL6141 | CHEMBL81411 | Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccccc3)s2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 46 | 1 | 32 | train | 890,387 |
CHEMBL6141 | CHEMBL81477 | Cc1cc(C)c(NC(=O)N(Cc2cc(-c3ccccc3)on2)C2CCCCCC2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 61 | 1 | 32 | train | 890,388 |
CHEMBL6141 | CHEMBL81537 | CCCCCCCCCCCCSC(=O)NC(=O)Oc1c(OC)cc(OC)cc1OC | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 250 | 1 | 31 | train | 890,389 |
CHEMBL6141 | CHEMBL81651 | Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2cccc(-c3cc[nH]n3)c2)c(C)c1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 21 | 1 | 32 | train | 890,390 |
CHEMBL6141 | CHEMBL81707 | COc1ccc(CN(Cc2cccc(-c3cc[nH]n3)c2)C(=O)Nc2c(SC)cc(C)nc2SC)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 200 | 1 | 36 | train | 890,391 |
CHEMBL6141 | CHEMBL81910 | CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)SC1CCCCC1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 97 | 1 | 25 | train | 890,392 |
CHEMBL6141 | CHEMBL86421 | CCCCCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 19 | 1 | 29 | train | 890,393 |
CHEMBL6141 | CHEMBL86681 | Cc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 250 | 1 | 23 | train | 890,394 |
CHEMBL6141 | CHEMBL86722 | CCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 38 | 1 | 25 | train | 890,395 |
CHEMBL6141 | CHEMBL86802 | CCCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 32 | 1 | 27 | train | 890,396 |
CHEMBL6141 | CHEMBL87050 | CCCCCCCCCCCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 11 | 1 | 35 | train | 890,397 |
CHEMBL6141 | CHEMBL87183 | CCCCCCCCCCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 15 | 1 | 34 | train | 890,398 |
CHEMBL6141 | CHEMBL88148 | CCCCCCCCCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 9 | 1 | 33 | train | 890,399 |
CHEMBL6141 | CHEMBL89544 | CCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 29 | 1 | 26 | train | 890,400 |
CHEMBL6141 | CHEMBL89574 | CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(C(C)(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 168 | 1 | 26 | train | 890,401 |
CHEMBL6141 | CHEMBL89642 | CCCCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 26 | 1 | 28 | train | 890,402 |
CHEMBL6141 | CHEMBL89694 | CCCCCCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 11 | 1 | 30 | train | 890,403 |
CHEMBL6141 | CHEMBL89843 | CC(C)c1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 66 | 1 | 25 | train | 890,404 |
CHEMBL6141 | CHEMBL89873 | CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccccc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 910 | 1 | 22 | train | 890,405 |
CHEMBL6141 | CHEMBL90110 | CCCCCCCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 9 | 1 | 31 | train | 890,406 |
CHEMBL6141 | CHEMBL98156 | CCCCCCCCCCCCOC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 110 | 1 | 32 | train | 890,407 |
CHEMBL6141 | CHEMBL98651 | CCCCCCCCCCCCCCSC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 36 | 1 | 34 | train | 890,408 |
CHEMBL6141 | CHEMBL99488 | CCCCCCCCCCCCC(C)OC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 21 | 1 | 34 | train | 890,409 |
CHEMBL6141 | CHEMBL99880 | CCCCCCCCN(CCCCCCCC)C(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C | PLFLKEVGSHFDDFVTNLIEKSASLDNGGCALTTFSILKEMKNNHRAKDLRAPPEQGKIFVARRSLLDELFEVDHIRTIYHMFIALLILFILSTLVVDYIDEGRLVLEFNLLSYAFGKLPTVVWTWWTMFLSTLSIPYFLFQHWANGYSKSSHPLMYSLFHGLLFMVFQLGILGFGPTYIVLAYTLPPASRFIVILEQIRLIMKAHSFVRENVPRVLNSAKEKSSTVPIPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFAQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCIF | Q95214 | 4,200 | 1 | 36 | train | 890,410 |
CHEMBL6144 | CHEMBL1313485 | CCOC(=O)c1ccc(CC(=O)c2ccc(O)c(O)c2O)o1 | MELENIVANTVLLKAREGGGGNRKGKSKKWRQMLQFPHISQCEELRLSLERDYHSLCERQPIGRLLFREFCATRPELSRCVAFLDGVAEYEVTPDDKRKACGRQLTQNFLSHTGPDLIPEVPRQLVTNCTQRLEQGPCKDLFQELTRLTHEYLSVAPFADYLDSIYFNRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKKLEKKRIKKRKGEAMALNEKQILEKVNSRFVVSLAYAYETKDALCLVLTLMNGGDLKFHIYHMGQAGFPEARAVFYAAEICCGLEDLHRERIVYRDLKPENILLDDHGHIRISDLGLAVHVPEGQTIKGRVGTVGYMAPEVVKNERYTFSPDWWALGCLLYEMIAGQSPFQQRKKKIKREEVERLVKEVPEEYSERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKEHPLFKKLNFKRLGAGMLEPPFKPDPQAIYCKDVLDIEQFSTVKGVELEPTDQDFYQKFATGSVPIPWQNEMVETECFQELNVFGLDGSVPPDLDWKGQPPAPPKKGLLQRLFSRQDCCGNCSDSEEELPTRL | P43250 | 7,050 | 1 | 22 | train | 890,429 |
CHEMBL6144 | CHEMBL1319645 | COc1ccc(-c2cc(=O)oc3c(O)c(O)ccc23)cc1 | MELENIVANTVLLKAREGGGGNRKGKSKKWRQMLQFPHISQCEELRLSLERDYHSLCERQPIGRLLFREFCATRPELSRCVAFLDGVAEYEVTPDDKRKACGRQLTQNFLSHTGPDLIPEVPRQLVTNCTQRLEQGPCKDLFQELTRLTHEYLSVAPFADYLDSIYFNRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKKLEKKRIKKRKGEAMALNEKQILEKVNSRFVVSLAYAYETKDALCLVLTLMNGGDLKFHIYHMGQAGFPEARAVFYAAEICCGLEDLHRERIVYRDLKPENILLDDHGHIRISDLGLAVHVPEGQTIKGRVGTVGYMAPEVVKNERYTFSPDWWALGCLLYEMIAGQSPFQQRKKKIKREEVERLVKEVPEEYSERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKEHPLFKKLNFKRLGAGMLEPPFKPDPQAIYCKDVLDIEQFSTVKGVELEPTDQDFYQKFATGSVPIPWQNEMVETECFQELNVFGLDGSVPPDLDWKGQPPAPPKKGLLQRLFSRQDCCGNCSDSEEELPTRL | P43250 | 7,160 | 1 | 21 | train | 890,430 |
CHEMBL6144 | CHEMBL1402572 | Cc1cc(NC(c2ccccn2)c2ccc3cccnc3c2O)no1 | MELENIVANTVLLKAREGGGGNRKGKSKKWRQMLQFPHISQCEELRLSLERDYHSLCERQPIGRLLFREFCATRPELSRCVAFLDGVAEYEVTPDDKRKACGRQLTQNFLSHTGPDLIPEVPRQLVTNCTQRLEQGPCKDLFQELTRLTHEYLSVAPFADYLDSIYFNRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKKLEKKRIKKRKGEAMALNEKQILEKVNSRFVVSLAYAYETKDALCLVLTLMNGGDLKFHIYHMGQAGFPEARAVFYAAEICCGLEDLHRERIVYRDLKPENILLDDHGHIRISDLGLAVHVPEGQTIKGRVGTVGYMAPEVVKNERYTFSPDWWALGCLLYEMIAGQSPFQQRKKKIKREEVERLVKEVPEEYSERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKEHPLFKKLNFKRLGAGMLEPPFKPDPQAIYCKDVLDIEQFSTVKGVELEPTDQDFYQKFATGSVPIPWQNEMVETECFQELNVFGLDGSVPPDLDWKGQPPAPPKKGLLQRLFSRQDCCGNCSDSEEELPTRL | P43250 | 6,450 | 1 | 25 | train | 890,431 |
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