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"pdb_fragments_400K/5v3h_ABS06_state0_0_1_ZINC000409232038_ligstate0_-2_1", + "pdb_fragments_400K/3pgh_DBS02_state0_0_1_91451768_ligstate0_0_1", + "pdb_fragments_400K/5oxg_BBS01_state0_-1_1_ZINC000946597758_ligstate1_0_1", + "pdb_fragments_400K/1i9m_ABS02_state0_0_1_ZINC000978730393_ligstate0_1_1", + "pdb_fragments_400K/4bdc_ABS01_state0_-1_1_131224353_ligstate0_-1_1", + "pdb_fragments_400K/6d1l_ABS02_state0_0_1_ZINC000004741210_ligstate1_-1_1", + "pdb_fragments_400K/6n0p_ABS01_state0_-1_1_ZINC001113391445_ligstate0_0_1", + "pdb_fragments_400K/7kk4_ABS01_state0_-1_1_ZINC000005640448_ligstate0_-1_1", + "pdb_fragments_400K/5f1j_ABS02_state0_0_1_136708834_ligstate0_0_1", + "pdb_fragments_400K/5llc_ABS02_state0_0_1_ZINC000025627336_ligstate0_1_1", + "pdb_fragments_400K/5y9l_ABS01_state0_-1_1_132149895_ligstate1_-1_1", + "pdb_fragments_400K/6bh8_ABS02_state0_-3_1_ZINC000893466290_ligstate0_1_1", + "pdb_fragments_400K/5fv7_BBS03_state0_-3_1_ZINC000608220256_ligstate0_-1_1", + "pdb_fragments_400K/1om1_ABS01_state0_-1_1_ZINC000941563596_ligstate0_1_1", + "pdb_fragments_400K/6c9r_BBS01_state0_0_1_114368297_ligstate1_0_1", + "pdb_fragments_400K/1nax_ABS01_state0_0_1_ZINC000085400169_ligstate0_1_1", + "pdb_fragments_400K/5hcl_ABS01_state0_0_1_CHEMBL444_ligstate1_-1_1", + "pdb_fragments_400K/2gfs_ABS01_state0_1_1_96818229_ligstate0_0_1", + "pdb_fragments_400K/2rcu_BBS01_state0_0_1_103166644_ligstate1_0_1", + "pdb_fragments_400K/6c6n_BBS01_state0_0_1_ZINC000911890933_ligstate0_1_1", + "pdb_fragments_400K/4cgl_ABS02_state0_1_1_109926728_ligstate0_0_1", + "pdb_fragments_400K/7k6i_ABS03_state0_-1_1_ZINC000972156854_ligstate0_1_1", + "pdb_fragments_400K/1q1g_DBS02_state0_-3_1_96321295_ligstate0_0_1", + "pdb_fragments_400K/2o64_ABS01_state0_-2_1_99354003_ligstate0_1_1", + "pdb_fragments_400K/5ula_ABS01_state0_0_1_ZINC000080040745_ligstate0_0_1", + "pdb_fragments_400K/3d1z_ABS01_state0_-2_1_133143585_ligstate0_-1_1", + "pdb_fragments_400K/5hie_CBS01_state0_-1_1_109806208_ligstate0_0_1", + "pdb_fragments_400K/1pig_ABS06_state0_1_1_91948261_ligstate0_2_1", + "pdb_fragments_400K/3kqm_ABS02_state0_0_1_ZINC001174502389_ligstate1_0_1", + "pdb_fragments_400K/3n2e_ABS01_state0_2_1_CHEMBL4297082_ligstate1_1_1", + "pdb_fragments_400K/5ax9_CBS01_state0_-1_1_ZINC000945741728_ligstate0_1_1", + "pdb_fragments_400K/3jta_BBS05_state0_0_1_102721628_ligstate0_0_1", + "pdb_fragments_400K/4ivm_BBS01_state0_1_1_ZINC000941057765_ligstate1_1_1", + "pdb_fragments_400K/4zpf_ABS01_state0_1_1_97930826_ligstate0_0_1", + "pdb_fragments_400K/1uhl_BBS02_state0_0_1_103989923_ligstate0_0_1", + "pdb_fragments_400K/3h0v_ABS01_state0_BBS01_state0_-1_1_ZINC001236108551_ligstate0_-1_1", + "pdb_fragments_400K/5ylt_ABS02_state0_0_1_ZINC000984740432_ligstate1_-1_1", + "pdb_fragments_400K/6l47_ABS01_state0_0_1_122646338_ligstate1_0_1", + "pdb_fragments_400K/6h4u_BBS03_state0_1_1_ZINC001048723346_ligstate0_1_1", + "pdb_fragments_400K/6si0_BBS02_state0_-1_1_108868147_ligstate0_-1_1", + "pdb_fragments_400K/5gmm_ABS04_state0_0_1_94679181_ligstate0_0_1", + "pdb_fragments_400K/4euv_ABS01_state0_-1_1_CHEMBL1234720_ligstate0_0_1", + "pdb_fragments_400K/4w52_ABS01_state0_0_1_109126272_ligstate1_1_1", + "pdb_fragments_400K/4uil_HBS01_state0_LBS01_state0_0_1_CHEMBL1483_ligstate1_-1_1", + "pdb_fragments_400K/3hhx_ABS02_state0_1_1_ZINC000892643858_ligstate0_1_1", + "pdb_fragments_400K/2xuk_BBS01_state0_2_1_CHEMBL3527600_ligstate0_-1_1", + "pdb_fragments_400K/5wg7_ABS01_state0_-1_1_104438294_ligstate0_0_1", + "pdb_fragments_400K/2qa6_BBS02_state0_-1_1_ZINC000034868615_ligstate1_-1_1", + "pdb_fragments_400K/1a29_ABS06_state0_-4_1_ZINC000612428859_ligstate0_-2_1", + "pdb_fragments_400K/8abp_ABS01_state0_0_1_93469068_ligstate0_-1_1", + "pdb_fragments_400K/2zz4_ABS02_state0_-2_1_ZINC000573838648_ligstate1_1_1", + "pdb_fragments_400K/3u6a_CBS01_state0_-1_1_ZINC001194532252_ligstate1_1_1", + "pdb_fragments_400K/1iyk_BBS02_state0_0_1_ZINC000106082357_ligstate0_0_1", + "pdb_fragments_400K/3oki_ABS02_state0_0_1_ZINC000190742284_ligstate0_1_1", + "pdb_fragments_400K/3jx1_ABS03_state0_2_1_ZINC000934979824_ligstate0_0_1", + "pdb_fragments_400K/4jlj_BBS01_state0_-2_1_ZINC001393242266_ligstate0_-1_1", + "pdb_fragments_400K/2z7r_ABS01_state0_-1_1_107564286_ligstate0_0_1", + "pdb_fragments_400K/7k6l_ABS04_state0_-2_1_121998017_ligstate0_-1_1", + "pdb_fragments_400K/2a3c_BBS01_state0_0_1_100133756_ligstate1_0_1", + "pdb_fragments_400K/3gjw_ABS01_state0_1_1_116951724_ligstate0_0_1", + "pdb_fragments_400K/4wyp_ABS01_state0_0_1_ZINC000942305286_ligstate0_3_1", + "pdb_fragments_400K/6qgj_ABS01_state0_-1_1_122329053_ligstate0_0_1", + "pdb_fragments_400K/5lud_ABS01_state0_0_1_CHEMBL1231002_ligstate0_0_1", + "pdb_fragments_400K/5nvc_BBS02_state0_1_1_102233323_ligstate0_0_1", + "pdb_fragments_400K/3cfn_BBS01_state0_0_1_ZINC000436718477_ligstate0_2_1", + "pdb_fragments_400K/2jbp_DBS01_state0_-1_1_ZINC000096524453_ligstate0_0_1", + "pdb_fragments_400K/5u4d_ABS01_state0_0_1_118473400_ligstate2_0_1", + "pdb_fragments_400K/6juu_ABS01_state0_-1_1_119573392_ligstate0_-1_1", + "pdb_fragments_400K/4p8t_ABS02_state0_0_1_ZINC001389178855_ligstate1_1_1", + "pdb_fragments_400K/6hh5_ABS02_state0_-3_1_ZINC000639748095_ligstate0_0_1", + "pdb_fragments_400K/2geh_ABS02_state0_-1_1_104417899_ligstate0_0_1", + "pdb_fragments_400K/6fiq_ABS01_state0_-1_1_113442761_ligstate1_0_1", + "pdb_fragments_400K/4q9m_ABS01_state0_0_1_CHEMBL1509_ligstate0_0_1", + "pdb_fragments_400K/6swo_AAABS01_state0_1_1_93784687_ligstate0_0_1", + "pdb_fragments_400K/6pqd_ABS02_state0_0_1_ZINC000848816485_ligstate0_0_1", + "pdb_fragments_400K/3myq_ABS02_state0_0_1_101743184_ligstate0_0_1", + "pdb_fragments_400K/2wpa_ABS01_state0_1_1_113705140_ligstate0_0_1", + "pdb_fragments_400K/3kpw_ABS02_state0_2_1_ZINC000276529774_ligstate0_1_1", + "pdb_fragments_400K/4qoc_CBS02_state0_0_1_117317961_ligstate0_1_1", + "pdb_fragments_400K/2foy_ABS02_state0_1_2_ZINC000408068563_ligstate1_0_1", + "pdb_fragments_400K/1jd0_ABS02_state0_-1_1_122364987_ligstate0_0_1", + "pdb_fragments_400K/3nlg_BBS05_state0_2_1_92099275_ligstate0_-1_1", + "pdb_fragments_400K/3h06_JBS01_state0_-1_1_94998142_ligstate0_-1_1", + "pdb_fragments_400K/4rvk_ABS01_state0_-1_1_ZINC000832008776_ligstate1_-3_1", + "pdb_fragments_400K/4ga3_ABS01_state0_-2_1_ZINC000860748997_ligstate0_2_1", + "pdb_fragments_400K/6vse_BBS02_state0_2_1_104144461_ligstate0_2_1", + "pdb_fragments_400K/4l40_ABS02_state0_0_1_114464510_ligstate0_0_1", + "pdb_fragments_400K/6gck_BBS02_state0_0_1_ZINC000328620379_ligstate2_1_1", + "pdb_fragments_400K/6aul_ABS01_state0_-2_1_95613810_ligstate0_-1_1", + "pdb_fragments_400K/3bqc_ABS01_state0_-1_1_ZINC000584287757_ligstate1_1_1", + "pdb_fragments_400K/4o0r_ABS01_state0_1_1_ZINC001005304306_ligstate0_0_1", + "pdb_fragments_400K/1np0_EBS01_state0_FBS01_state0_-2_1_ZINC001035328791_ligstate1_0_1", + "pdb_fragments_400K/6dxk_ABS01_state0_0_1_ZINC001372935626_ligstate2_1_1", + "pdb_fragments_400K/5nf9_ABS01_state0_0_1_111182405_ligstate0_1_1", + "pdb_fragments_400K/5mut_ABS02_state0_0_1_CHEMBL456340_ligstate0_0_1", + "pdb_fragments_400K/3b99_ABS02_state0_-1_1_ZINC000830489476_ligstate0_-1_1", + "pdb_fragments_400K/4o91_ABS01_state0_-1_1_ZINC001568495415_ligstate1_-1_1", + "pdb_fragments_400K/6qls_ABS01_state0_1_1_ZINC000003091535_ligstate0_1_1", + "pdb_fragments_400K/2wib_ABS02_state0_-4_1_CHEMBL241608_ligstate0_-2_1", + "pdb_fragments_400K/4dea_ABS01_state0_0_1_92608345_ligstate0_0_1", + "pdb_fragments_400K/4ekl_ABS01_state0_0_1_ZINC000005217864_ligstate1_-2_1", + "pdb_fragments_400K/4c1t_ABS01_state0_0_1_ZINC000046860127_ligstate0_1_1", + "pdb_fragments_400K/3fed_ABS04_state0_0_1_91557944_ligstate0_0_1", + "pdb_fragments_400K/3pcn_NBS02_state0_0_1_86402909_ligstate0_1_1", + "pdb_fragments_400K/4ps7_ABS01_state0_-1_1_116674595_ligstate0_0_1", + "pdb_fragments_400K/5f2r_BBS01_state0_-1_1_ZINC000136977733_ligstate0_1_1", + "pdb_fragments_400K/6cb5_ABS02_state0_-1_1_ZINC000266086762_ligstate0_0_1", + "pdb_fragments_400K/5qak_ABS01_state0_0_1_108595376_ligstate0_2_1", + "pdb_fragments_400K/3gvu_ABS02_state0_1_1_116366517_ligstate1_1_1", + "pdb_fragments_400K/4m14_ABS01_state0_0_1_109613027_ligstate0_1_1", + "pdb_fragments_400K/6tn9_ABS01_state0_1_1_CHEMBL241608_ligstate0_0_1", + "pdb_fragments_400K/5kcp_BBS05_state0_0_1_ZINC000061020323_ligstate0_1_1", + "pdb_fragments_400K/3pkb_ABS01_state0_-4_1_ZINC000155410950_ligstate0_-1_1", + "pdb_fragments_400K/4alx_JBS02_state0_1_1_131498632_ligstate0_1_1", + "pdb_fragments_400K/6plg_GBS01_state0_-1_1_CHEMBL75124_ligstate0_1_1", + "pdb_fragments_400K/5i8b_ABS04_state0_1_1_ZINC000034797453_ligstate0_1_1", + "pdb_fragments_400K/2g9q_ABS03_state0_0_1_ZINC000599017287_ligstate1_-1_1", + "pdb_fragments_400K/3rxa_ABS02_state0_1_1_ZINC001733500240_ligstate0_1_1", + "pdb_fragments_400K/6chi_CBS02_state0_-1_1_94137083_ligstate0_0_1", + "pdb_fragments_400K/1kf0_ABS01_state0_-4_1_92039989_ligstate0_0_1", + "pdb_fragments_400K/5als_ABS01_state0_-1_1_119412679_ligstate0_-1_1", + "pdb_fragments_400K/3lbz_BBS04_state0_-2_1_110153855_ligstate0_1_1", + "pdb_fragments_400K/6ee4_ABS02_state0_-4_1_ZINC000873210685_ligstate0_0_1", + "pdb_fragments_400K/3zyx_BBS02_state0_1_1_CHEMBL89956_ligstate0_-1_1", + "pdb_fragments_400K/4uhl_FBS03_state0_0_1_ZINC000996922690_ligstate0_0_1", + "pdb_fragments_400K/4ibe_ABS01_state0_0_1_98498252_ligstate0_0_1", + "pdb_fragments_400K/1t4j_ABS01_state0_-3_1_CHEMBL595_ligstate0_-1_1", + "pdb_fragments_400K/5hn7_CBS02_state0_2_1_ZINC000069929254_ligstate0_-1_1", + "pdb_fragments_400K/4j59_ABS01_state0_1_1_98543991_ligstate0_1_1", + "pdb_fragments_400K/4btj_BBS01_state0_-4_1_ZINC000358428595_ligstate0_1_1", + "pdb_fragments_400K/4xe0_ABS01_state0_-1_1_111476710_ligstate0_0_1", + "pdb_fragments_400K/1y59_TBS02_state0_0_1_ZINC000347719501_ligstate1_-1_1", + "pdb_fragments_400K/5utr_BBS01_state0_1_1_105612897_ligstate0_1_1", + "pdb_fragments_400K/3qgw_BBS01_state0_0_1_104102354_ligstate0_1_1", + "pdb_fragments_400K/3zrc_LBS01_state0_0_1_118626208_ligstate0_0_1", + "pdb_fragments_400K/1b57_ABS04_state0_-4_1_100900491_ligstate0_-1_1", + "pdb_fragments_400K/1owi_ABS01_state0_1_1_102896297_ligstate1_1_1", + "pdb_fragments_400K/6epj_ABS02_state0_0_1_ZINC000072573648_ligstate0_-1_1", + "pdb_fragments_400K/4cqf_ABS02_state0_-3_1_ZINC000618255243_ligstate2_-3_1", + "pdb_fragments_400K/6o2y_ABS01_state0_1_1_ZINC000183060442_ligstate0_-1_1", + "pdb_fragments_400K/2xwe_ABS01_state0_-2_1_106546578_ligstate0_-1_1", + "pdb_fragments_400K/4d2p_BBS01_state0_0_1_CHEMBL135400_ligstate1_0_1", + "pdb_fragments_400K/1q1g_DBS02_state0_-3_1_CHEMBL506259_ligstate0_-1_1", + 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"pdb_fragments_400K/4lrr_ABS01_state0_-2_1_ZINC000450584980_ligstate0_0_1", + "pdb_fragments_400K/5hmk_ABS01_state0_0_1_ZINC000894371475_ligstate0_0_1", + "pdb_fragments_400K/4bjx_ABS01_state0_-1_1_118551811_ligstate0_0_1", + "pdb_fragments_400K/1m5w_BBS01_state0_atecharge_-3_1_132178303_ligstate0_-1_1", + "pdb_fragments_400K/4aft_ABS02_state0_1_1_ZINC000932410397_ligstate0_0_1", + "pdb_fragments_400K/2wqp_ABS01_state0_-2_1_91721556_ligstate0_-1_1", + "pdb_fragments_400K/4lxb_HBS03_state0_-2_1_108727692_ligstate0_0_1", + "pdb_fragments_400K/3t8s_BBS01_state0_atecharge_-4_1_111986622_ligstate0_2_1", + "pdb_fragments_400K/2weq_ABS01_state0_0_1_ZINC000000121067_ligstate0_0_1", + "pdb_fragments_400K/4cpz_HBS02_state0_0_1_ZINC000078553880_ligstate2_1_1", + "pdb_fragments_400K/1z6d_ABS03_state0_-1_1_105147072_ligstate0_0_1", + "pdb_fragments_400K/4bnv_ABS01_state0_BBS01_state0_0_1_103744267_ligstate0_0_1", + "pdb_fragments_400K/184l_ABS01_state0_0_1_ZINC001008344695_ligstate1_1_1", + 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"pdb_fragments_400K/4uwf_ABS01_state0_1_1_96830875_ligstate0_1_1", + "pdb_fragments_400K/4avh_ABS01_state0_-3_1_ZINC000442780978_ligstate0_2_1", + "pdb_fragments_400K/5fnl_ABS02_state0_-2_1_CHEMBL1689216_ligstate0_0_1", + "pdb_fragments_400K/1jz7_CBS02_state0_0_1_ZINC000650765527_ligstate0_-3_1", + "pdb_fragments_400K/6dh8_ABS01_state0_BBS01_state0_-4_1_ZINC001054267534_ligstate0_-1_1", + "pdb_fragments_400K/1jqe_BBS01_state0_-1_1_ZINC000004244688_ligstate0_-1_1", + "pdb_fragments_400K/6mlf_ABS01_state0_atecharge_0_1_ZINC000817290109_ligstate1_2_1", + "pdb_fragments_400K/3utu_HBS03_state0_-1_1_91432100_ligstate1_0_1", + "pdb_fragments_400K/4d36_BBS05_state0_1_1_ZINC001203347593_ligstate1_0_1", + "pdb_fragments_400K/6kya_ABS02_state0_BBS02_state0_1_1_106642130_ligstate0_1_1", + "pdb_fragments_400K/7c7q_ABS02_state0_-1_1_ZINC000180476711_ligstate0_0_1", + "pdb_fragments_400K/6hvs_IBS01_state0_0_1_131986949_ligstate0_-1_1", + "pdb_fragments_400K/6ugo_ABS03_state0_-1_1_92744440_ligstate0_-1_1", + "pdb_fragments_400K/6xrl_ABS01_state0_0_1_96660408_ligstate0_-1_1", + "pdb_fragments_400K/7abp_ABS01_state0_0_1_ZINC001029515142_ligstate0_2_1", + "pdb_fragments_400K/3pn3_ABS01_state0_0_1_ZINC001376411389_ligstate0_2_1", + "pdb_fragments_400K/3wtm_BBS02_state0_CBS01_state0_2_1_ZINC000941544826_ligstate0_2_1", + "pdb_fragments_400K/5jxq_ABS02_state0_-1_1_ZINC000181196282_ligstate1_1_1", + "pdb_fragments_400K/3bgq_ABS01_state0_0_1_ZINC000438380985_ligstate1_1_1", + "pdb_fragments_400K/4pyv_ABS01_state0_0_1_94703135_ligstate0_0_1", + "pdb_fragments_400K/3udp_ABS01_state0_0_1_96198372_ligstate0_-1_1", + "pdb_fragments_400K/3eqg_ABS04_state0_0_1_101021806_ligstate1_-1_1", + "pdb_fragments_400K/1f8c_ABS02_state0_1_1_ZINC000413372469_ligstate0_-1_1", + "pdb_fragments_400K/4px2_ABS01_state0_-1_1_ZINC001088826508_ligstate0_1_1", + "pdb_fragments_400K/5byz_ABS01_state0_1_1_131822505_ligstate0_1_1", + "pdb_fragments_400K/6ceh_ABS02_state0_0_1_133523532_ligstate0_0_1", + "pdb_fragments_400K/2r3o_ABS01_state0_1_1_136508106_ligstate1_1_1", + "pdb_fragments_400K/5abh_BBS02_state0_-2_1_105957432_ligstate0_0_1", + "pdb_fragments_400K/4ith_ABS01_state0_-1_1_ZINC001491388658_ligstate2_0_1", + "pdb_fragments_400K/4z07_ABS02_state0_1_1_ZINC000004521727_ligstate0_0_1", + "pdb_fragments_400K/6o67_ABS01_state0_-1_1_93370278_ligstate0_0_1", + "pdb_fragments_400K/1ftm_BBS03_state0_-1_1_CHEMBL1365180_ligstate0_-1_1", + "pdb_fragments_400K/4ky4_BBS05_state0_-1_1_104528782_ligstate0_-1_1", + "pdb_fragments_400K/4j14_ABS02_state0_1_1_ZINC000065469004_ligstate1_1_1", + "pdb_fragments_400K/3wke_ABS02_state0_-2_1_102136103_ligstate1_-1_1", + "pdb_fragments_400K/4jsa_ABS02_state0_0_1_ZINC001086491443_ligstate0_1_1", + "pdb_fragments_400K/2waj_ABS01_state0_1_1_ZINC000996143949_ligstate0_2_1", + "pdb_fragments_400K/4yjn_ABS01_state0_0_1_CHEMBL436474_ligstate0_0_1", + 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"pdb_fragments_400K/4hwt_ABS02_state0_-2_1_ZINC001283647281_ligstate0_-1_1", + "pdb_fragments_400K/6h4t_CBS03_state0_1_1_102609182_ligstate1_0_1", + "pdb_fragments_400K/6dxx_BBS01_state0_-1_1_ZINC000078410922_ligstate0_-1_1", + "pdb_fragments_400K/186l_ABS01_state0_0_1_108107042_ligstate0_0_1", + "pdb_fragments_400K/6trx_BBS02_state0_0_1_CHEMBL211501_ligstate0_0_1", + "pdb_fragments_400K/4mcc_ABS01_state0_0_1_ZINC000969633039_ligstate1_0_1", + "pdb_fragments_400K/5ywx_BBS02_state0_1_1_ZINC000067897340_ligstate1_1_1", + "pdb_fragments_400K/4erw_ABS01_state0_0_1_97053784_ligstate0_0_1", + "pdb_fragments_400K/1akt_ABS01_state0_-3_1_CHEMBL1763_ligstate1_-1_1", + "pdb_fragments_400K/3gs7_ABS01_state0_0_1_CHEMBL3785525_ligstate1_0_1", + "pdb_fragments_400K/2fsz_BBS01_state0_-1_1_ZINC001032290740_ligstate0_-1_1", + "pdb_fragments_400K/4b6s_ABS01_state0_1_1_ZINC000997173413_ligstate0_2_1", + "pdb_fragments_400K/6uoz_ABS01_state0_0_1_ZINC001225296489_ligstate0_1_1", + 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"pdb_fragments_400K/4dph_ABS01_state0_0_1_119431081_ligstate0_0_1", + "pdb_fragments_400K/4q1e_ABS02_state0_-2_1_ZINC000257300326_ligstate1_-2_1", + "pdb_fragments_400K/3ryz_ABS02_state0_0_1_92130324_ligstate1_0_1", + "pdb_fragments_400K/5oog_ABS01_state0_1_1_103203364_ligstate0_1_1", + "pdb_fragments_400K/6vny_ABS01_state0_-3_1_118184113_ligstate0_-1_1", + "pdb_fragments_400K/4yp5_ABS01_state0_-3_1_ZINC000945448458_ligstate0_-1_1", + "pdb_fragments_400K/1hk1_ABS02_state0_0_1_119754150_ligstate0_1_1", + "pdb_fragments_400K/3p55_ABS01_state0_1_1_ZINC000217414644_ligstate0_-1_1", + "pdb_fragments_400K/3wqs_BBS03_state0_-2_1_ZINC000273971952_ligstate1_1_1", + "pdb_fragments_400K/6hvt_IBS01_state0_0_1_107296987_ligstate0_-1_1", + "pdb_fragments_400K/5mtp_CBS02_state0_0_1_ZINC000821569190_ligstate1_2_1", + "pdb_fragments_400K/1utt_ABS01_state0_1_1_ZINC000096429611_ligstate1_1_1", + "pdb_fragments_400K/5nfz_BBS01_state0_0_1_96678663_ligstate0_-1_1", + 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"pdb_fragments_400K/5luh_BBS02_state0_-4_1_ZINC000408975676_ligstate0_1_1", + "pdb_fragments_400K/6l36_BBS04_state0_-1_1_118202425_ligstate1_2_1", + "pdb_fragments_400K/4tkf_BBS02_state0_-1_1_CHEMBL66381_ligstate1_-1_1", + "pdb_fragments_400K/3u4o_ABS01_state0_-1_1_115006306_ligstate1_-1_1", + "pdb_fragments_400K/2jst_BBS01_state0_0_1_ZINC000009234970_ligstate1_-1_1", + "pdb_fragments_400K/1yda_ABS02_state0_-2_1_131189979_ligstate0_-1_1", + "pdb_fragments_400K/4hyf_ABS03_state0_-1_1_ZINC000880646642_ligstate0_-1_1", + "pdb_fragments_400K/4p45_ABS05_state0_-4_1_119376406_ligstate0_1_1", + "pdb_fragments_400K/3rbu_ABS04_state0_-4_1_ZINC001023101761_ligstate0_0_1", + "pdb_fragments_400K/4car_BBS05_state0_1_1_85172269_ligstate0_-2_1", + "pdb_fragments_400K/4e90_ABS02_state0_1_1_117554062_ligstate0_0_1", + "pdb_fragments_400K/1ia1_ABS02_state0_0_1_ZINC000758727455_ligstate0_-1_1", + "pdb_fragments_400K/1rdj_1BS01_state0_-2_1_ZINC000898485942_ligstate0_-1_1", + "pdb_fragments_400K/4b5w_ABS02_state0_-3_1_112155658_ligstate0_-2_1", + "pdb_fragments_400K/3lfn_ABS01_state0_0_1_ZINC000003066417_ligstate0_1_1", + "pdb_fragments_400K/6zy8_ABS05_state0_0_1_123100277_ligstate0_0_1", + "pdb_fragments_400K/5v48_ABS02_state0_-1_1_113623117_ligstate0_2_1", + "pdb_fragments_400K/4wf6_ABS02_state0_-2_1_117717625_ligstate2_0_1", + "pdb_fragments_400K/4gzp_ABS02_state0_1_1_103604620_ligstate0_1_1", + "pdb_fragments_400K/6g01_ABS03_state0_2_1_ZINC000584344233_ligstate1_3_1", + "pdb_fragments_400K/5c3s_ABS02_state0_0_1_90445267_ligstate0_-2_1", + "pdb_fragments_400K/5fv9_BBS01_state0_-2_1_112323194_ligstate0_-2_1", + "pdb_fragments_400K/4ibj_BBS01_state0_0_1_CHEMBL4239366_ligstate0_0_1", + "pdb_fragments_400K/5i94_BBS01_state0_1_1_CHEMBL478764_ligstate1_0_1", + "pdb_fragments_400K/6d3q_ABS01_state0_-3_1_93710334_ligstate0_0_1", + "pdb_fragments_400K/2bet_CBS01_state0_-2_1_ZINC000257267887_ligstate0_0_1", + "pdb_fragments_400K/5jf7_ABS01_state0_atecharge_-4_1_CHEMBL280974_ligstate1_-2_1", + "pdb_fragments_400K/1xnn_ABS01_state0_0_1_97871425_ligstate0_0_1", + "pdb_fragments_400K/4g8z_XBS01_state0_0_1_ZINC001162490399_ligstate1_0_1", + "pdb_fragments_400K/3e9h_ABS02_state0_-2_1_100060084_ligstate1_-1_1", + "pdb_fragments_400K/4gae_ABS03_state0_-1_1_107315036_ligstate0_0_1", + "pdb_fragments_400K/4gw8_ABS02_state0_1_1_CHEMBL1738722_ligstate0_1_1", + "pdb_fragments_400K/4att_ABS01_state0_-3_1_ZINC001125813982_ligstate1_-2_1", + "pdb_fragments_400K/4nbn_BBS01_state0_-1_1_110132036_ligstate0_0_1", + "pdb_fragments_400K/4rn0_ABS01_state0_BBS01_state0_-1_1_ZINC000343346582_ligstate0_2_1", + "pdb_fragments_400K/5moe_ABS06_state0_0_1_112054583_ligstate0_0_1", + "pdb_fragments_400K/1g98_ABS01_state0_-2_1_95623024_ligstate0_0_1", + "pdb_fragments_400K/3arq_ABS01_state0_0_1_100907652_ligstate0_0_1", + "pdb_fragments_400K/3i0s_ABS01_state0_3_1_94052787_ligstate0_0_1", + "pdb_fragments_400K/5f25_ABS01_state0_0_1_ZINC000348797466_ligstate0_0_1", + "pdb_fragments_400K/6hgg_ABS01_state0_1_1_ZINC001011920640_ligstate0_1_1", + "pdb_fragments_400K/2znu_ABS01_state0_-1_1_ZINC000020503766_ligstate0_0_1", + "pdb_fragments_400K/4wq3_BBS05_state0_0_1_95981298_ligstate1_2_1", + "pdb_fragments_400K/5oa2_CBS04_state0_1_1_CHEMBL1231898_ligstate0_1_1", + "pdb_fragments_400K/3x1m_BBS01_state0_-2_1_95575061_ligstate0_1_1", + "pdb_fragments_400K/1g4j_ABS02_state0_0_1_123556253_ligstate0_0_1", + "pdb_fragments_400K/2bjm_HBS01_state0_LBS01_state0_0_1_ZINC000895314821_ligstate2_2_1", + "pdb_fragments_400K/4dli_ABS02_state0_1_1_ZINC000332312920_ligstate0_1_1", + "pdb_fragments_400K/2baq_ABS01_state0_0_1_CHEMBL140000_ligstate0_0_1", + "pdb_fragments_400K/6u8w_ABS03_state0_-2_1_ZINC000297217143_ligstate0_0_1", + "pdb_fragments_400K/4hym_ABS01_state0_-1_1_133083068_ligstate0_0_1", + "pdb_fragments_400K/4r6t_CBS04_state0_-1_1_ZINC000104312539_ligstate1_-1_1", + "pdb_fragments_400K/4g44_ABS02_state0_0_1_ZINC000409069644_ligstate0_-1_1", + "pdb_fragments_400K/1tox_ABS01_state0_-2_1_ZINC001330413244_ligstate0_0_1", + "pdb_fragments_400K/6gy1_ABS03_state0_-1_1_ZINC001038734235_ligstate1_0_1", + "pdb_fragments_400K/2cbv_ABS01_state0_-1_1_114782178_ligstate0_0_1", + "pdb_fragments_400K/1tsl_ABS01_state0_-2_1_ZINC000631458872_ligstate0_-1_1", + "pdb_fragments_400K/5f62_ABS01_state0_1_1_106571946_ligstate0_0_1", + "pdb_fragments_400K/3m9f_ABS01_state0_BBS01_state0_-2_1_101427232_ligstate0_0_1", + "pdb_fragments_400K/5a3x_BBS01_state0_0_1_ZINC000580843951_ligstate1_0_1", + "pdb_fragments_400K/3dyo_ABS05_state0_2_1_90952882_ligstate0_2_1", + "pdb_fragments_400K/3qx3_ABS04_state0_0_1_88300674_ligstate0_0_1", + "pdb_fragments_400K/5ni0_ABS03_state0_-4_1_ZINC000020266061_ligstate0_-1_1", + "pdb_fragments_400K/3nw9_ABS02_state0_-2_1_ZINC001042605626_ligstate0_-1_1", + "pdb_fragments_400K/7c3n_ABS01_state0_0_1_106260088_ligstate0_-1_1", + "pdb_fragments_400K/1uye_ABS01_state0_0_1_90932199_ligstate0_0_1", + "pdb_fragments_400K/2v0m_BBS03_state0_0_1_110400447_ligstate0_0_1", + "pdb_fragments_400K/4cpu_ABS01_state0_BBS01_state0_-4_1_96464964_ligstate0_-2_1", + "pdb_fragments_400K/6wbq_ABS01_state0_-3_1_ZINC000004098600_ligstate1_-2_1", + "pdb_fragments_400K/6jsg_ABS01_state0_-1_1_93390041_ligstate0_-1_1", + "pdb_fragments_400K/3rwq_ABS01_state0_-1_1_103532404_ligstate1_1_1", + "pdb_fragments_400K/3s7s_ABS02_state0_1_1_ZINC000548530398_ligstate0_-1_1", + "pdb_fragments_400K/4hvb_ABS01_state0_0_1_109470021_ligstate1_0_1", + "pdb_fragments_400K/5jox_ABS01_state0_-1_1_133219197_ligstate0_0_1", + "pdb_fragments_400K/3ips_BBS02_state0_-1_1_123648798_ligstate0_-1_1", + "pdb_fragments_400K/4ego_ABS02_state0_-1_1_ZINC000223798774_ligstate0_1_1", + "pdb_fragments_400K/5efh_DBS02_state0_2_1_103944266_ligstate0_-1_1", + "pdb_fragments_400K/4dea_ABS01_state0_0_1_ZINC000620738963_ligstate0_1_1", + "pdb_fragments_400K/5ldp_BBS02_state0_-4_1_CHEMBL517583_ligstate1_0_1", + "pdb_fragments_400K/1fj4_DBS01_state0_-1_1_133156767_ligstate0_1_1", + "pdb_fragments_400K/6ahi_BBS01_state0_atecharge_-2_1_ZINC000363792368_ligstate0_0_1", + "pdb_fragments_400K/5q0q_ABS02_state0_1_1_113276306_ligstate1_-1_1", + "pdb_fragments_400K/6v0x_ABS01_state0_1_1_115183793_ligstate1_0_1", + "pdb_fragments_400K/3tf6_ABS01_state0_2_1_ZINC001237934550_ligstate2_3_1", + "pdb_fragments_400K/6i7w_ABS02_state0_-3_1_ZINC001081465298_ligstate0_0_1", + "pdb_fragments_400K/5hzn_CBS01_state0_0_1_ZINC000455109785_ligstate1_-2_1", + "pdb_fragments_400K/5f2r_ABS01_state0_-1_1_ZINC000993600876_ligstate0_0_1", + "pdb_fragments_400K/1g2m_ABS02_state0_0_1_ZINC000831653640_ligstate0_-1_1", + "pdb_fragments_400K/4xuh_ABS01_state0_0_1_101523314_ligstate0_0_1", + "pdb_fragments_400K/1y2k_BBS02_state0_-1_1_ZINC000436866816_ligstate1_-3_1", + "pdb_fragments_400K/3g0e_ABS01_state0_0_1_118151003_ligstate0_0_1", + "pdb_fragments_400K/3fre_XBS02_state0_0_1_104830231_ligstate0_0_1", + "pdb_fragments_400K/3odk_ABS01_state0_0_1_97001228_ligstate0_0_1", + "pdb_fragments_400K/6mbp_ABS01_state0_1_1_ZINC001087260613_ligstate0_-1_1", + "pdb_fragments_400K/7eou_ABS01_state0_0_1_93137330_ligstate1_-1_1", + "pdb_fragments_400K/6ic7_ABS01_state0_BBS01_state0_CBS01_state0_-1_1_111587672_ligstate0_-1_1", + "pdb_fragments_400K/5i8p_BBS01_state0_0_1_ZINC001027698446_ligstate0_0_1", + "pdb_fragments_400K/5edl_ABS01_state0_-1_1_98513398_ligstate1_-1_1", + "pdb_fragments_400K/5qaf_ABS01_state0_1_1_ZINC000348354708_ligstate0_2_1", + "pdb_fragments_400K/6uns_ABS01_state0_0_1_ZINC000092843708_ligstate1_-1_1", + "pdb_fragments_400K/1rdy_BBS02_state0_0_1_92155069_ligstate0_-1_1", + "pdb_fragments_400K/2h8h_ABS01_state0_1_1_ZINC001110667212_ligstate1_1_1", + "pdb_fragments_400K/4r91_ABS01_state0_0_1_ZINC001390630947_ligstate0_-1_1", + "pdb_fragments_400K/2ilt_ABS02_state0_0_1_CHEMBL1254687_ligstate0_0_1", + "pdb_fragments_400K/2qch_ABS04_state0_BBS04_state0_atecharge_-1_1_133326161_ligstate0_0_1", + "pdb_fragments_400K/1kf6_CBS01_state0_DBS01_state0_0_1_ZINC001061687894_ligstate0_0_1", + "pdb_fragments_400K/6g36_ABS01_state0_-1_1_ZINC000352389967_ligstate1_0_1", + "pdb_fragments_400K/4w1w_BBS02_state0_0_1_93701467_ligstate0_0_1", + "pdb_fragments_400K/4e70_BBS01_state0_-1_1_ZINC000076016564_ligstate0_1_1", + "pdb_fragments_400K/4hxn_ABS01_state0_0_1_113164083_ligstate0_0_1", + "pdb_fragments_400K/4kn2_BBS01_state0_-1_1_ZINC000423332562_ligstate1_2_1", + "pdb_fragments_400K/2g9x_CBS01_state0_0_1_92403232_ligstate1_0_1", + "pdb_fragments_400K/1x1z_BBS01_state0_-4_1_91835776_ligstate0_0_1", + "pdb_fragments_400K/4k4b_CBS04_state0_DBS04_state0_-3_1_96539027_ligstate0_1_1", + "pdb_fragments_400K/3c0a_ABS02_state0_-1_1_117453152_ligstate1_-2_1", + "pdb_fragments_400K/4aro_ABS01_state0_atecharge_-1_1_114748292_ligstate0_2_1", + "pdb_fragments_400K/6aa5_ABS01_state0_-1_1_92077008_ligstate0_-1_1", + "pdb_fragments_400K/1hov_ABS05_state0_-1_1_99407156_ligstate0_-1_1", + "pdb_fragments_400K/4li8_BBS02_state0_0_1_107513053_ligstate0_0_1", + "pdb_fragments_400K/3tyn_ABS03_state0_2_1_ZINC000583177421_ligstate0_1_1", + "pdb_fragments_400K/2o65_ABS01_state0_0_1_93638026_ligstate1_0_1", + "pdb_fragments_400K/5vzs_BBS01_state0_0_1_ZINC001700390779_ligstate0_1_1", + "pdb_fragments_400K/6woj_BBS01_state0_-2_1_CHEMBL469328_ligstate1_1_1", + "pdb_fragments_400K/4bvh_ABS01_state0_-1_1_92257794_ligstate0_0_1", + "pdb_fragments_400K/1jg0_ABS02_state0_-2_1_ZINC000862884312_ligstate0_0_1", + "pdb_fragments_400K/3ui7_ABS01_state0_0_1_ZINC000368084223_ligstate0_0_1", + "pdb_fragments_400K/4p7e_BBS01_state0_0_1_104998596_ligstate0_1_1", + "pdb_fragments_400K/6q0q_ABS01_state0_-1_1_132013509_ligstate0_1_1", + "pdb_fragments_400K/4q19_BBS01_state0_-2_1_ZINC000126120871_ligstate0_-1_1", + "pdb_fragments_400K/2z4b_BBS01_state0_-1_1_92214576_ligstate1_0_1", + 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