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 |
|---|---|---|---|---|---|---|---|---|---|
CHEMBL6052 | CHEMBL1802838 | O=C(O)/C=C/c1cccc(Nc2ccc3ccccc3n2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 1,240 | 1 | 22 | train | 883,298 |
CHEMBL6052 | CHEMBL2153773 | C=CCOC(=O)C1=CS(=O)(=O)c2ccccc21 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 2,940 | 1 | 17 | train | 883,299 |
CHEMBL6052 | CHEMBL2398669 | O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3cccs3)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 4,700 | 1 | 29 | train | 883,300 |
CHEMBL6052 | CHEMBL2398670 | O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2ccc(-c3ccco3)cc2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 9,200 | 1 | 29 | train | 883,301 |
CHEMBL6052 | CHEMBL2398671 | O=C(Nc1cccc(-c2ccco2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 21,000 | 1 | 36 | train | 883,302 |
CHEMBL6052 | CHEMBL2398672 | O=C(Nc1cccc(OCc2ccccn2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 7,400 | 1 | 39 | train | 883,303 |
CHEMBL6052 | CHEMBL2398673 | O=C(Nc1cccc(Oc2ccccn2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 10,000 | 1 | 38 | train | 883,304 |
CHEMBL6052 | CHEMBL2398674 | CSc1cccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 10,000 | 1 | 30 | train | 883,305 |
CHEMBL6052 | CHEMBL2398676 | O=C(Nc1ccc(Cl)nc1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 31,000 | 1 | 32 | train | 883,306 |
CHEMBL6052 | CHEMBL2398678 | O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 5,850 | 1 | 29 | train | 883,307 |
CHEMBL6052 | CHEMBL2398679 | O=C(c1ccccc1)c1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 9,900 | 1 | 32 | train | 883,308 |
CHEMBL6052 | CHEMBL2398680 | O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3nccs3)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 27,000 | 1 | 29 | train | 883,309 |
CHEMBL6052 | CHEMBL2398681 | CC(C)(C)CC(=O)Nc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 26,000 | 1 | 32 | train | 883,310 |
CHEMBL6052 | CHEMBL2398682 | C=Cc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 33,000 | 1 | 26 | train | 883,311 |
CHEMBL6052 | CHEMBL2398683 | Cc1nc(-c2cccc(C(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4)C3)c2)cs1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 33,000 | 1 | 30 | train | 883,312 |
CHEMBL6052 | CHEMBL2398684 | Cc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 35,000 | 1 | 25 | train | 883,313 |
CHEMBL6052 | CHEMBL2398685 | CSc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 35,000 | 1 | 26 | train | 883,314 |
CHEMBL6052 | CHEMBL2398686 | O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3cnco3)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 43,000 | 1 | 29 | train | 883,315 |
CHEMBL6052 | CHEMBL2398687 | CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 51,000 | 1 | 32 | train | 883,316 |
CHEMBL6052 | CHEMBL2398688 | COC(=O)c1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 67,000 | 1 | 28 | train | 883,317 |
CHEMBL6052 | CHEMBL2398689 | Cc1nc(-c2cccc(C(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4)C3)c2)no1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 78,000 | 1 | 30 | train | 883,318 |
CHEMBL6052 | CHEMBL2398697 | O=C(Nc1cccc(Oc2ccccc2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 1,500 | 1 | 38 | train | 883,319 |
CHEMBL6052 | CHEMBL2398698 | O=C(Nc1cccc(Cc2ccccc2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 1,600 | 1 | 38 | train | 883,320 |
CHEMBL6052 | CHEMBL2398699 | O=C(Nc1cccc(OCCc2ccccn2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 2,300 | 1 | 40 | train | 883,321 |
CHEMBL6052 | CHEMBL2398700 | O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 5,600 | 1 | 39 | train | 883,322 |
CHEMBL6052 | CHEMBL2398701 | Cc1nc(-c2cccc(NC(=O)C3CCCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3)c2)cs1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 6,100 | 1 | 37 | train | 883,323 |
CHEMBL6052 | CHEMBL2398702 | CCc1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 8,100 | 1 | 33 | train | 883,324 |
CHEMBL6052 | CHEMBL2398703 | C=Cc1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 11,000 | 1 | 33 | train | 883,325 |
CHEMBL6052 | CHEMBL2398704 | O=C(Nc1cccc(-c2cnco2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 12,000 | 1 | 36 | train | 883,326 |
CHEMBL6052 | CHEMBL2398705 | CSc1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 12,000 | 1 | 33 | train | 883,327 |
CHEMBL6052 | CHEMBL2398706 | COC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 26,000 | 1 | 35 | train | 883,328 |
CHEMBL6052 | CHEMBL2398707 | COc1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 30,000 | 1 | 33 | train | 883,329 |
CHEMBL6052 | CHEMBL2398708 | N#Cc1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 32,000 | 1 | 33 | train | 883,330 |
CHEMBL6052 | CHEMBL2398709 | O=C(Nc1cccc(CN2CCOCC2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 32,000 | 1 | 38 | train | 883,331 |
CHEMBL6052 | CHEMBL2398710 | O=C(Nc1cccc([N+](=O)[O-])c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 66,000 | 1 | 34 | train | 883,332 |
CHEMBL6052 | CHEMBL2398711 | CC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 76,000 | 1 | 34 | train | 883,333 |
CHEMBL6052 | CHEMBL603141 | O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | MAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQARRGKKKSGCLVL | P61586 | 9,800 | 1 | 32 | train | 883,334 |
CHEMBL6056 | CHEMBL534505 | CNC(=O)[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 10 | 1 | 40 | train | 883,347 |
CHEMBL6056 | CHEMBL534728 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCO)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 2 | 1 | 35 | train | 883,348 |
CHEMBL6056 | CHEMBL534729 | COCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 36 | train | 883,349 |
CHEMBL6056 | CHEMBL534739 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCS(=O)(=O)C(C)(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 25 | 1 | 41 | train | 883,350 |
CHEMBL6056 | CHEMBL535185 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2nnn[nH]2)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 7 | 1 | 39 | train | 883,351 |
CHEMBL6056 | CHEMBL535408 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(=O)OC)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 190 | 1 | 35 | train | 883,352 |
CHEMBL6056 | CHEMBL535409 | COCCCCc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCN2CCOCC2)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 1 | 1 | 41 | train | 883,353 |
CHEMBL6056 | CHEMBL535632 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)OC)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 38 | train | 883,354 |
CHEMBL6056 | CHEMBL535633 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCS(C)(=O)=O)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 90 | 1 | 35 | train | 883,355 |
CHEMBL6056 | CHEMBL535635 | COCCCCc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 4 | 1 | 40 | train | 883,356 |
CHEMBL6056 | CHEMBL535855 | CNC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 2 | 1 | 41 | train | 883,357 |
CHEMBL6056 | CHEMBL536082 | CNC(=O)CCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 40 | train | 883,358 |
CHEMBL6056 | CHEMBL536083 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCc2ccncc2)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 21 | 1 | 37 | train | 883,359 |
CHEMBL6056 | CHEMBL536084 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCC(N)=O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 6 | 1 | 38 | train | 883,360 |
CHEMBL6056 | CHEMBL536085 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(=O)NC)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 40 | 1 | 35 | train | 883,361 |
CHEMBL6056 | CHEMBL536294 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCC(=O)O)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 23 | 1 | 36 | train | 883,362 |
CHEMBL6056 | CHEMBL536295 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCO)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 2 | 1 | 36 | train | 883,363 |
CHEMBL6056 | CHEMBL536296 | CCOC(=O)CCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 13 | 1 | 38 | train | 883,364 |
CHEMBL6056 | CHEMBL536304 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCCC(N)=O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 39 | train | 883,365 |
CHEMBL6056 | CHEMBL536306 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCCC(=O)N(C)C)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 41 | train | 883,366 |
CHEMBL6056 | CHEMBL536519 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCN)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 53 | 1 | 35 | train | 883,367 |
CHEMBL6056 | CHEMBL536521 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)N2CCOCC2)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 4 | 1 | 42 | train | 883,368 |
CHEMBL6056 | CHEMBL536529 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC[C@@H]2CCC(=O)N2)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 40 | train | 883,369 |
CHEMBL6056 | CHEMBL536531 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 13 | 1 | 38 | train | 883,370 |
CHEMBL6056 | CHEMBL536748 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 7 | 1 | 39 | train | 883,371 |
CHEMBL6056 | CHEMBL536749 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCC(C)(C)N2CCOCC2)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 4 | 1 | 41 | train | 883,372 |
CHEMBL6056 | CHEMBL536760 | CC[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C)C(N)=O.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 1 | 1 | 39 | train | 883,373 |
CHEMBL6056 | CHEMBL536761 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@@H](CO)C(N)=O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 6 | 1 | 39 | train | 883,374 |
CHEMBL6056 | CHEMBL536981 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCN2CCOCC2)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 7 | 1 | 40 | train | 883,375 |
CHEMBL6056 | CHEMBL536982 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCSCC2)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 12 | 1 | 39 | train | 883,376 |
CHEMBL6056 | CHEMBL536992 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 200 | 1 | 39 | train | 883,377 |
CHEMBL6056 | CHEMBL536993 | CNC(=O)CCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 4 | 1 | 39 | train | 883,378 |
CHEMBL6056 | CHEMBL537210 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCC(=O)N(C)C)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 6 | 1 | 40 | train | 883,379 |
CHEMBL6056 | CHEMBL537211 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@@H](C)CC(N)=O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 39 | train | 883,380 |
CHEMBL6056 | CHEMBL537221 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCN2CCOCC2)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 41 | train | 883,381 |
CHEMBL6056 | CHEMBL537223 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCc2nn[nH]n2)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 2 | 1 | 40 | train | 883,382 |
CHEMBL6056 | CHEMBL537433 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOC)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 15 | 1 | 34 | train | 883,383 |
CHEMBL6056 | CHEMBL537446 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC#N)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 36 | train | 883,384 |
CHEMBL6056 | CHEMBL537655 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOCC)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 25 | 1 | 36 | train | 883,385 |
CHEMBL6056 | CHEMBL537656 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOCCOC)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 70 | 1 | 37 | train | 883,386 |
CHEMBL6056 | CHEMBL537666 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCC(N)=O)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 13 | 1 | 36 | train | 883,387 |
CHEMBL6056 | CHEMBL537667 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(N)=O)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 11 | 1 | 37 | train | 883,388 |
CHEMBL6056 | CHEMBL537668 | CNC(=O)CCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 11 | 1 | 38 | train | 883,389 |
CHEMBL6056 | CHEMBL537876 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC[C@@H](C)C(N)=O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 2 | 1 | 39 | train | 883,390 |
CHEMBL6056 | CHEMBL537886 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)NCCOC)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 10 | 1 | 41 | train | 883,391 |
CHEMBL6056 | CHEMBL537888 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCNC(C)=O)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 18 | 1 | 37 | train | 883,392 |
CHEMBL6056 | CHEMBL538092 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(O)CC2)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 52 | 1 | 40 | train | 883,393 |
CHEMBL6056 | CHEMBL538094 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(OC)CC2)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 49 | 1 | 41 | train | 883,394 |
CHEMBL6056 | CHEMBL539856 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC(C)CN2CCOCC2)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 9 | 1 | 42 | train | 883,395 |
CHEMBL6056 | CHEMBL540112 | CCCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 140 | 1 | 35 | train | 883,396 |
CHEMBL6056 | CHEMBL540885 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@H](C)CC(N)=O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 28 | 1 | 39 | train | 883,397 |
CHEMBL6056 | CHEMBL540886 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCc2ccccc2)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 5 | 1 | 37 | train | 883,398 |
CHEMBL6056 | CHEMBL540892 | CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 8 | 1 | 37 | train | 883,399 |
CHEMBL6056 | CHEMBL541135 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)O)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 13 | 1 | 37 | train | 883,400 |
CHEMBL6056 | CHEMBL553558 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCCOC)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 18 | 1 | 36 | train | 883,401 |
CHEMBL6056 | CHEMBL553943 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(=O)O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 13 | 1 | 40 | train | 883,402 |
CHEMBL6056 | CHEMBL556165 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOCC)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 31 | 1 | 35 | train | 883,403 |
CHEMBL6056 | CHEMBL556343 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCS(=O)(=O)N(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 9 | 1 | 39 | train | 883,404 |
CHEMBL6056 | CHEMBL556348 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2c[nH]cn2)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 7 | 1 | 39 | train | 883,405 |
CHEMBL6056 | CHEMBL556570 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC[C@H](C)C(N)=O)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 39 | train | 883,406 |
CHEMBL6056 | CHEMBL556765 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCCN2CCOCC2)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 3 | 1 | 42 | train | 883,407 |
CHEMBL6056 | CHEMBL556766 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)c(OCC(N)=O)c1)C(C)C.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 230 | 1 | 36 | train | 883,408 |
CHEMBL6056 | CHEMBL556783 | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC[C@H]2CCC(=O)N2)C(C)C)C(C)C)ccc1OC.Cl | MDAWRGMPRWGLLLLLWGSCTFGLPTETTTFKRISLKRMPSIRESLKERGVDMARLGPERMALVNITSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDVITVGGITVTQTFGEVTEMPALPFMLAEFDGVVGMGFSEQAIGKVTPLFDNIISQGLLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIRTGLWQIPMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCN... | Q9TSZ1 | 2 | 1 | 40 | train | 883,409 |
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