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"1ke9": {"LS5_299": {"A": ["1ke9_LS5_A_299_P24941/4199509_aligned.sdf", "1EVHO9"]}}, "1ki0": {"BCN_336": {"A": ["1ki0_BCN_A_336_P00747/ChEMBL31.compound.240226_aligned.sdf", "2K6H0J"]}, "BCN_337": {"A": ["1ki0_BCN_A_337_P00747/ChEMBL31.compound.60727_aligned.sdf", "GJETFK"]}}, "1kic": {"NOS_802": {"B": ["1kic_NOS_B_802_Q9GPQ4/ChEMBL31.compound.73209_aligned.sdf", "4TYH59"]}}, "1kie": {"AD3_802": {"B": ["1kie_AD3_B_802_Q9GPQ4/ChEMBL31.compound.96448_aligned.sdf", "VW6J40"]}}, "1kkq": {"471_775": {"A": ["1kkq_471_A_775_Q07869/ChEMBL31.compound.8517_aligned.sdf", "B4CB4E"]}, "471_776": {"B": ["1kkq_471_B_776_Q07869/ChEMBL31.compound.40127_aligned.sdf", "3Q1BXH"]}, "471_777": {"C": ["1kkq_471_C_777_Q07869/ChEMBL31.compound.51109;ChEMBL31.compound.51050_aligned.sdf", "E8Z56L"]}, "471_778": {"D": ["1kkq_471_D_778_Q07869/ChEMBL31.compound.255489_aligned.sdf", "ZU05JW"]}}, "1klk": {"NDP_207": {"A": ["1klk_NDP_A_207_P16184/ChEMBL31.compound.483_aligned.sdf", "UE1CF8"]}, "PMD_653": {"A": ["1klk_PMD_A_653_P16184/ChEMBL31.compound.33646_aligned.sdf", "PNUAQV"]}}, "1kmq": {"GNP_300": {"A": ["1kmq_GNP_A_300_P61586/ChEMBL31.compound.214994_aligned.sdf", "PBDOHL"]}}, "1kms": {"LIH_201": {"A": ["1kms_LIH_A_201_P00374/ChEMBL31.compound.304922_aligned.sdf", "7DJMGN"]}, "NDP_202": {"A": ["1kms_NDP_A_202_P00374/ChEMBL31.compound.164543_aligned.sdf", "CQIVN8"]}}, "1kmv": {"LII_201": {"A": ["1kmv_LII_A_201_P00374/ChEMBL31.compound.279192_aligned.sdf", "HTGYZN"]}, "NDP_202": {"A": ["1kmv_NDP_A_202_P00374/ChEMBL31.compound.64440_aligned.sdf", "50OIG7"]}}, "1knu": {"YPA_1001": {"A": ["1knu_YPA_A_1001_P37231/ChEMBL31.compound.73941_aligned.sdf", "SRAJQZ"]}}, "1kpf": {"AMP_200": {"A": ["1kpf_AMP_A_200_P49773/ChEMBL31.compound.434106_aligned.sdf", "I4UG2K"]}}, "1kq0": {"MED_601": {"A": ["1kq0_MED_A_601_P50579/ChEMBL31.compound.425754_aligned.sdf", "32BZCP"]}}, "1kq9": {"MET_601": {"A": ["1kq9_MET_A_601_P50579/ChEMBL31.compound.75125_aligned.sdf", "TQE6J1"]}}, "1kqu": {"BR4_501": {"A": ["1kqu_BR4_A_501_P14555/ChEMBL31.compound.433524;ChEMBL31.compound.433528_aligned.sdf", "Q7SRK6"]}}, "1krm": {"PRH_401": {"A": ["1krm_PRH_A_401_P56658/ChEMBL31.compound.382673_aligned.sdf", "AY6TIV"]}}, "1ksn": {"FXV_401": {"A": ["1ksn_FXV_A_401_P00742/ChEMBL31.compound.39513_aligned.sdf", "JVO7XI"]}}, "1ksw": {"NBS_1": {"A": ["1ksw_NBS_A_1_P12931/Christmann2016.compound.202_aligned.sdf", "0SX5AU"]}}, "1kt8": {"ILP_400": {"A": ["1kt8_ILP_A_400_O15382/ChEMBL31.compound.270125_aligned.sdf", "YVGNF5"]}, "ILP_900": {"B": ["1kt8_ILP_B_900_O15382/ChEMBL31.compound.270135_aligned.sdf", "WQOTJW"]}}, "1kta": {"KIV_3001": {"B": ["1kta_KIV_B_3001_O15382/ChEMBL31.compound.270139_aligned.sdf", "RYAZ9Q"]}}, "1kti": {"AZC_998": {"A": ["1kti_AZC_A_998_P00489/ChEMBL31.compound.379716_aligned.sdf", "D83DKG"]}}, "1kts": {"C24_999": {"B": ["1kts_C24_B_999_P00734/ChEMBL31.compound.300396_aligned.sdf", "JZ3HK6"]}}, "1ktt": {"C02_1": {"B": ["1ktt_C02_B_1_P00734/ChEMBL31.compound.35836_aligned.sdf", "JE7XCK"]}}, "1kv1": {"BMU_391": {"A": ["1kv1_BMU_A_391_Q16539/10045275_aligned.sdf", "4MJZYG"]}}, "1kv2": {"B96_391": {"A": ["1kv2_B96_A_391_Q16539/10046638_aligned.sdf", "7ITG6S"]}}, "1kv3": {"GDP_700": {"A": ["1kv3_GDP_A_700_P21980/ChEMBL31.compound.390641_aligned.sdf", "OR0P82"]}, "GDP_701": {"B": ["1kv3_GDP_B_701_P21980/ChEMBL31.compound.66409;ChEMBL31.compound.66408;ChEMBL31.compound.66405_aligned.sdf", "RMV13O"]}, "GDP_702": {"C": ["1kv3_GDP_C_702_P21980/ChEMBL31.compound.362488_aligned.sdf", "6F85V1"]}, "GDP_703": {"D": ["1kv3_GDP_D_703_P21980/ChEMBL31.compound.66409;ChEMBL31.compound.66408;ChEMBL31.compound.66405_aligned.sdf", "CNYUKK"]}, "GDP_704": {"E": ["1kv3_GDP_E_704_P21980/ChEMBL31.compound.390651_aligned.sdf", "GG6Z7H"]}, "GDP_705": {"F": ["1kv3_GDP_F_705_P21980/ChEMBL31.compound.390651_aligned.sdf", "7GMCNK"]}}, "1kvo": {"OAP_190": {"A": ["1kvo_OAP_A_190_P14555/ChEMBL31.compound.388052_aligned.sdf", "EQXPBY"], "B": 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["1l2i_ETC_A_600_P03372/ChEMBL31.compound.1709_aligned.sdf", "8B14AI"]}, "ETC_800": {"B": ["1l2i_ETC_B_800_P03372/ChEMBL31.compound.79634;ChEMBL31.compound.79635_aligned.sdf", "PTPOFH"]}}, "1l2j": {"ETC_600": {"A": ["1l2j_ETC_A_600_Q92731/ChEMBL31.compound.275234_aligned.sdf", "GZMOMT"]}, "ETC_800": {"B": ["1l2j_ETC_B_800_Q92731/ChEMBL31.compound.73656_aligned.sdf", "1BXMTR"]}}, "1l5q": {"700_1862": {"B": ["1l5q_700_B_1862_P06737/ChEMBL31.compound.110730_aligned.sdf", "43LMV2"]}, "700_862": {"A": ["1l5q_700_A_862_P06737/ChEMBL31.compound.110699_aligned.sdf", "1TP906"]}, "NBG_1861": {"B": ["1l5q_NBG_B_1861_P06737/ChEMBL31.compound.362699_aligned.sdf", "HB3LWL"]}, "NBG_861": {"A": ["1l5q_NBG_A_861_P06737/ChEMBL31.compound.379715_aligned.sdf", "V6ZHCB"]}}, "1l5r": {"700_862": {"A": ["1l5r_700_A_862_P06737/ChEMBL31.compound.109072;ChEMBL31.compound.109070_aligned.sdf", "EO72UE"]}, "NBG_861": {"A": ["1l5r_NBG_A_861_P06737/ChEMBL31.compound.379715_aligned.sdf", "9QKW4Z"]}, "RBF_859": {"A": ["1l5r_RBF_A_859_P06737/ChEMBL31.compound.362698_aligned.sdf", "XSIMFT"]}}, "1l5s": {"700_1862": {"B": ["1l5s_700_B_1862_P06737/ChEMBL31.compound.107423_aligned.sdf", "YCSXWZ"]}, "700_862": {"A": ["1l5s_700_A_862_P06737/ChEMBL31.compound.110699_aligned.sdf", "5D8APA"]}, "NBG_1861": {"B": ["1l5s_NBG_B_1861_P06737/ChEMBL31.compound.362698_aligned.sdf", "TQE5Y6"]}, "NBG_861": {"A": ["1l5s_NBG_A_861_P06737/ChEMBL31.compound.115201_aligned.sdf", "VQWQCC"]}}, "1l7x": {"700_1862": {"B": ["1l7x_700_B_1862_P06737/ChEMBL31.compound.110699_aligned.sdf", "SHXB7L"]}, "700_862": {"A": ["1l7x_700_A_862_P06737/ChEMBL31.compound.164220;ChEMBL31.compound.164221;ChEMBL31.compound.164219_aligned.sdf", "80P7QF"]}, "NBG_1861": {"B": ["1l7x_NBG_B_1861_P06737/ChEMBL31.compound.48041_aligned.sdf", "BRO1T4"]}, "NBG_861": {"A": ["1l7x_NBG_A_861_P06737/ChEMBL31.compound.362700_aligned.sdf", "TI311V"]}}, "1l8b": {"MGP_1000": {"A": ["1l8b_MGP_A_1000_P63073/ChEMBL31.compound.137643_aligned.sdf", "6WN6YN"]}, "MGP_2000": {"B": ["1l8b_MGP_B_2000_P63073/ChEMBL31.compound.137645_aligned.sdf", "Q1KP3N"]}}, "1l8g": {"DBD_322": {"A": ["1l8g_DBD_A_322_P18031/ChEMBL31.compound.178013_aligned.sdf", "D2GVE5"]}}, "1l8s": {"LPE_322": {"B": ["1l8s_LPE_B_322_P00592/ChEMBL31.compound.664_aligned.sdf", "EJE83X"]}}, "1lan": {"LEU_500": {"A": ["1lan_LEU_A_500_P00727/ChEMBL31.compound.2230_aligned.sdf", "YZHJK3"]}}, "1lb8": {"AMQ_427": {"A": ["1lb8_AMQ_A_427_P19491/ChEMBL31.compound.103693;ChEMBL31.compound.103690_aligned.sdf", "47NQP7"]}, "AMQ_428": {"B": ["1lb8_AMQ_B_428_P19491/ChEMBL31.compound.1933_aligned.sdf", "HDJWSN"]}}, "1lb9": {"DNQ_367": {"B": ["1lb9_DNQ_B_367_P19491/ChEMBL31.compound.293148_aligned.sdf", "TTLBHS"]}, "DNQ_368": {"A": ["1lb9_DNQ_A_368_P19491/ChEMBL31.compound.386425;ChEMBL31.compound.386425;ChEMBL31.compound.386424_aligned.sdf", "O5ESOV"]}}, "1lbb": {"KAI_999": {"A": ["1lbb_KAI_A_999_P19491/ChEMBL31.compound.293148_aligned.sdf", "OFSRQS"]}}, "1lbc": {"CYZ_330": {"A": ["1lbc_CYZ_A_330_P19491/ChEMBL31.compound.71585_aligned.sdf", "9RQQO2"]}, "CYZ_331": {"C": ["1lbc_CYZ_C_331_P19491/ChEMBL31.compound.298040_aligned.sdf", "WOJ3PS"]}}, "1lbk": {"GSH_503": {"B": ["1lbk_GSH_B_503_P09211/ChEMBL31.compound.47714_aligned.sdf", "AQG1RE"]}, "GSH_504": {"A": ["1lbk_GSH_A_504_P09211/ChEMBL31.compound.47713_aligned.sdf", "B23W0C"]}}, "1lca": {"CB3_318": {"A": ["1lca_CB3_A_318_P00469/ChEMBL31.compound.33439_aligned.sdf", "LTG5M2"]}, "UMP_317": {"A": ["1lca_UMP_A_317_P00469/ChEMBL31.compound.33429_aligned.sdf", "9WCNEI"]}}, "1lcb": {"DHF_318": {"A": ["1lcb_DHF_A_318_P00469/ChEMBL31.compound.3353_aligned.sdf", "K0ZU2Z"]}, "TMP_317": {"A": ["1lcb_TMP_A_317_P00469/ChEMBL31.compound.33439_aligned.sdf", "UMQ8QV"]}}, "1lce": {"TMF_318": {"A": ["1lce_TMF_A_318_P00469/ChEMBL31.compound.3532_aligned.sdf", "PNKEUQ"]}, "UMP_317": {"A": ["1lce_UMP_A_317_P00469/ChEMBL31.compound.33429_aligned.sdf", "4J34T7"]}}, "1lcz": {"BH7_400": {"B": ["1lcz_BH7_B_400_P22629/ChEMBL31.compound.22991_aligned.sdf", "WZQIPS"]}}, "1lee": {"R36_500": {"A": ["1lee_R36_A_500_P46925/ChEMBL31.compound.12750_aligned.sdf", "6ICOS1"]}}, "1lf2": {"R37_330": {"A": ["1lf2_R37_A_330_P46925/ChEMBL31.compound.12750_aligned.sdf", "W60IC0"]}}, "1lf3": {"EH5_332": {"A": ["1lf3_EH5_A_332_P46925/ChEMBL31.compound.12750_aligned.sdf", "YR14V3"]}}, "1lfo": {"OLA_129": {"A": ["1lfo_OLA_A_129_P02692/ChEMBL31.compound.107077_aligned.sdf", "DXJILE"]}}, "1lhn": {"AON_301": {"A": ["1lhn_AON_A_301_P04278/ChEMBL31.compound.47142_aligned.sdf", "3S4NPR"]}}, "1lho": {"AOM_301": {"A": ["1lho_AOM_A_301_P04278/ChEMBL31.compound.47107_aligned.sdf", "JATP0A"]}}, "1lhu": {"EST_301": {"A": ["1lhu_EST_A_301_P04278/ChEMBL31.compound.47107_aligned.sdf", "HIV054"]}}, "1lhv": {"NOG_301": {"A": ["1lhv_NOG_A_301_P04278/ChEMBL31.compound.93746_aligned.sdf", "ELDKFC"]}}, "1lhw": {"ESM_301": {"A": ["1lhw_ESM_A_301_P04278/ChEMBL31.compound.47107_aligned.sdf", "GJKR8E"]}}, "1li4": {"NAD_433": {"A": ["1li4_NAD_A_433_P23526/ChEMBL31.compound.266946;ChEMBL31.compound.266945_aligned.sdf", "151RNX"]}, "NOC_434": {"A": ["1li4_NOC_A_434_P23526/ChEMBL31.compound.17798_aligned.sdf", "Q96BVM"]}}, "1lii": {"ACP_799": {"A": ["1lii_ACP_A_799_Q9TVW2/ChEMBL31.compound.115062_aligned.sdf", "3V3RSD"]}, "ADN_699": {"A": ["1lii_ADN_A_699_Q9TVW2/ChEMBL31.compound.115063_aligned.sdf", "N5Z4IK"]}}, "1lij": {"ACP_799": {"A": ["1lij_ACP_A_799_Q9TVW2/ChEMBL31.compound.115062_aligned.sdf", "BAOUJS"]}, "RPP_699": {"A": ["1lij_RPP_A_699_Q9TVW2/ChEMBL31.compound.115049_aligned.sdf", "IVBGJE"]}}, "1lik": {"ADN_699": {"A": ["1lik_ADN_A_699_Q9TVW2/ChEMBL31.compound.115049_aligned.sdf", "N12K0P"]}, "ADN_799": {"A": ["1lik_ADN_A_799_Q9TVW2/ChEMBL31.compound.115061_aligned.sdf", "OQXP0K"]}}, "1lin": {"TFP_153": {"A": ["1lin_TFP_A_153_P62157/ChEMBL31.compound.143301_aligned.sdf", "862CLX"]}, "TFP_154": {"A": ["1lin_TFP_A_154_P62157/ChEMBL31.compound.39242_aligned.sdf", "53JKDZ"]}, "TFP_156": {"A": 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["2pjb_983_A_401_P09955/ChEMBL31.compound.81954_aligned.sdf", "OGU536"]}, "983_501": {"B": ["2pjb_983_B_501_P09955/ChEMBL31.compound.83064_aligned.sdf", "LTTPEX"]}, "983_601": {"C": ["2pjb_983_C_601_P09955/ChEMBL31.compound.81971_aligned.sdf", "DH8GTE"]}}, "2pjc": {"343_401": {"A": ["2pjc_343_A_401_P09955/ChEMBL31.compound.83064_aligned.sdf", "9FBOV6"]}, "343_501": {"B": ["2pjc_343_B_501_P09955/ChEMBL31.compound.81971_aligned.sdf", "IC48Z8"]}, "343_601": {"C": ["2pjc_343_C_601_P09955/ChEMBL31.compound.81954_aligned.sdf", "CV4WR7"]}}, "2pjl": {"047_600": {"A": ["2pjl_047_A_600_P11474/ChEMBL31.compound.377842_aligned.sdf", "V255FG"]}}, "2pjt": {"347_401": {"A": ["2pjt_347_A_401_P45452/ChEMBL31.compound.276526_aligned.sdf", "5GLBY9"], "B": ["2pjt_347_B_401_P45452/ChEMBL31.compound.275554_aligned.sdf", "7S8NJJ"], "C": ["2pjt_347_C_401_P45452/ChEMBL31.compound.275442_aligned.sdf", "3SAFCQ"], "D": ["2pjt_347_D_401_P45452/ChEMBL31.compound.276961_aligned.sdf", "EA0Y1F"]}}, "2pk4": {"ACA_100": 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["2po7_CHD_A_501_P22830/ChEMBL31.compound.132169_aligned.sdf", "4MD0FH"], "B": ["2po7_CHD_B_501_P22830/ChEMBL31.compound.120073_aligned.sdf", "E0ZHF6"]}, "CHD_502": {"A": ["2po7_CHD_A_502_P22830/ChEMBL31.compound.174397_aligned.sdf", "B97DXV"], "B": ["2po7_CHD_B_502_P22830/ChEMBL31.compound.354409_aligned.sdf", "SYSKRC"]}}, "2pob": {"GW4_478": {"A": ["2pob_GW4_A_478_P37231/ChEMBL31.compound.73940_aligned.sdf", "7Q7BKA"]}}, "2pog": {"WST_201": {"A": ["2pog_WST_A_201_P03372/ChEMBL31.compound.289314_aligned.sdf", "0D32QG"]}, "WST_301": {"B": ["2pog_WST_B_301_P03372/ChEMBL31.compound.73652_aligned.sdf", "UMTB27"]}}, "2pou": {"I7A_1000": {"A": ["2pou_I7A_A_1000_P00918/ChEMBL31.compound.378236_aligned.sdf", "WKOOOO"]}}, "2pov": {"I7B_1000": {"A": ["2pov_I7B_A_1000_P00918/ChEMBL31.compound.378238_aligned.sdf", "ZK4IKQ"]}}, "2pow": {"I7C_1000": {"A": ["2pow_I7C_A_1000_P00918/ChEMBL31.compound.301095_aligned.sdf", "9QWGWD"]}}, "2pq8": {"COA_601": {"A": 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["3dau_NDP_A_202_P0ABQ4/ChEMBL31.compound.20271_aligned.sdf", "CM6DGX"]}}, "3dbp": {"NUP_1000": {"A": ["3dbp_NUP_A_1000_P11172/ChEMBL31.compound.115529_aligned.sdf", "GY30D8"], "B": ["3dbp_NUP_B_1000_P11172/ChEMBL31.compound.141365_aligned.sdf", "EQ892H"]}}, "3dbs": {"GD9_1": {"A": ["3dbs_GD9_A_1_P48736/4454325_aligned.sdf", "BIYC9D"]}}, "3dbu": {"D8W_301": {"A": ["3dbu_D8W_A_301_P00918/ChEMBL31.compound.301059_aligned.sdf", "NOS59X"]}}, "3dc3": {"AZM_263": {"A": ["3dc3_AZM_A_263_P00918/ChEMBL31.compound.301056_aligned.sdf", "Y6A5BP"]}}, "3dcc": {"D9Z_263": {"A": ["3dcc_D9Z_A_263_P00918/ChEMBL31.compound.252715_aligned.sdf", "VRSIB7"]}}, "3dcs": {"MZM_263": {"A": ["3dcs_MZM_A_263_P00918/ChEMBL31.compound.159447_aligned.sdf", "0XN5UT"]}}, "3dct": {"064_1": {"A": ["3dct_064_A_1_Q96RI1/ChEMBL31.compound.304192_aligned.sdf", "T06BOT"]}}, "3dcu": {"O62_1": {"A": ["3dcu_O62_A_1_Q96RI1/ChEMBL31.compound.304226_aligned.sdf", "VSSO07"]}}, "3dcv": {"55E_500": {"A": ["3dcv_55E_A_500_P11309/Christmann2016.compound.226_aligned.sdf", "OE5MCI"]}}, "3dcw": {"EZL_301": {"A": ["3dcw_EZL_A_301_P00918/ChEMBL31.compound.91913_aligned.sdf", "MAP0T5"]}}, "3dd0": {"EZL_301": {"A": ["3dd0_EZL_A_301_P00918/ChEMBL31.compound.266989_aligned.sdf", "12INQ1"]}}, "3dd1": {"25D_905": {"A": ["3dd1_25D_A_905_P06737/ChEMBL31.compound.110713_aligned.sdf", "3I67ZB"]}, "25D_906": {"B": ["3dd1_25D_B_906_P06737/ChEMBL31.compound.107415_aligned.sdf", "3NYSG6"]}, "CFF_903": {"A": ["3dd1_CFF_A_903_P06737/ChEMBL31.compound.36724_aligned.sdf", "S68RE0"]}, "NBG_901": {"A": ["3dd1_NBG_A_901_P06737/ChEMBL31.compound.362698_aligned.sdf", "9R5GB1"]}}, "3dd3": {"GSH_211": {"B": ["3dd3_GSH_B_211_P09211/ChEMBL31.compound.47713_aligned.sdf", "J1I9BG"]}, "GSH_212": {"A": ["3dd3_GSH_A_212_P09211/ChEMBL31.compound.47715_aligned.sdf", "SF5JU9"]}}, "3dd8": {"2C7_300": {"A": ["3dd8_2C7_A_300_P00918/ChEMBL31.compound.301089_aligned.sdf", "H7YT0V"]}}, "3ddp": {"RC8_299": {"A": ["3ddp_RC8_A_299_P24941/Christmann2016.compound.203_aligned.sdf", "UJ152A"], "C": ["3ddp_RC8_C_299_P24941/4379665_aligned.sdf", "IY48D8"]}}, "3ddq": {"RRC_299": {"A": ["3ddq_RRC_A_299_P24941/Christmann2016.compound.203_aligned.sdf", "TICW9U"], "C": ["3ddq_RRC_C_299_P24941/Christmann2016.compound.226_aligned.sdf", "C7VNQE"]}}, "3dds": {"26B_905": {"A": ["3dds_26B_A_905_P06737/ChEMBL31.compound.110699_aligned.sdf", "ZF4SZ4"], "B": ["3dds_26B_B_905_P06737/ChEMBL31.compound.107403_aligned.sdf", "MVF1O8"]}, "NBG_901": {"A": ["3dds_NBG_A_901_P06737/ChEMBL31.compound.379717_aligned.sdf", "2IVUS4"], "B": ["3dds_NBG_B_901_P06737/ChEMBL31.compound.294649_aligned.sdf", "OLJX3K"]}}, "3ddw": {"055_905": {"A": ["3ddw_055_A_905_P06737/ChEMBL31.compound.110726_aligned.sdf", "8HDX5Z"]}, "055_906": {"B": ["3ddw_055_B_906_P06737/ChEMBL31.compound.107403_aligned.sdf", "YMY0C0"]}, "NBG_901": {"A": ["3ddw_NBG_A_901_P06737/ChEMBL31.compound.362700_aligned.sdf", "4L649V"], "B": 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["3dgr_A12_A_501_P43490/ChEMBL31.compound.308973;ChEMBL31.compound.308973;ChEMBL31.compound.254371_aligned.sdf", "H9V9IX"], "B": ["3dgr_A12_B_501_P43490/ChEMBL31.compound.237424_aligned.sdf", "SEEJ0O"]}}, "3dhd": {"NMN_503": {"A": ["3dhd_NMN_A_503_P43490/ChEMBL31.compound.237399_aligned.sdf", "VHTY57"], "B": ["3dhd_NMN_B_503_P43490/ChEMBL31.compound.231705_aligned.sdf", "V6ZOUC"]}}, "3dhf": {"NMN_503": {"A": ["3dhf_NMN_A_503_P43490/ChEMBL31.compound.237399_aligned.sdf", "5WTD1P"], "B": ["3dhf_NMN_B_503_P43490/ChEMBL31.compound.308972_aligned.sdf", "2UG36W"]}}, "3dhk": {"23U_1601": {"H": ["3dhk_23U_H_1601_P00734/ChEMBL31.compound.46225;ChEMBL31.compound.46224_aligned.sdf", "8YSG8W"]}}, "3dj7": {"AK7_1": {"A": ["3dj7_AK7_A_1_P97477/ChEMBL31.compound.218527_aligned.sdf", "X1IZX6"]}}, "3djg": {"FAD_479": {"X": ["3djg_FAD_X_479_P00390/ChEMBL31.compound.165010_aligned.sdf", "P5GVPQ"]}, "NDP_483": {"X": ["3djg_NDP_X_483_P00390/ChEMBL31.compound.42323_aligned.sdf", "QIXMT1"]}}, "3dji": {"3E1_201": {"B": ["3dji_3E1_B_201_P14174/ChEMBL31.compound.310153_aligned.sdf", "IPZX8G"]}}, "3djj": {"FAD_479": {"A": ["3djj_FAD_A_479_P00390/ChEMBL31.compound.165010_aligned.sdf", "XN6273"]}, "NDP_480": {"A": ["3djj_NDP_A_480_P00390/ChEMBL31.compound.42323_aligned.sdf", "LTSLAA"]}}, "3dk3": {"SX7_1": {"A": ["3dk3_SX7_A_1_P00520/ChEMBL31.compound.382741_aligned.sdf", "OML9BG"]}, "SX7_2": {"B": ["3dk3_SX7_B_2_P00520/ChEMBL31.compound.22173_aligned.sdf", "NUPYC0"]}}, "3dk4": {"FAD_479": {"A": ["3dk4_FAD_A_479_P00390/ChEMBL31.compound.165012_aligned.sdf", "6G9O5N"]}}, "3dk6": {"SX7_1": {"A": ["3dk6_SX7_A_1_P00520/ChEMBL31.compound.22173_aligned.sdf", "QHI3IP"]}}, "3dk7": {"SX7_1": {"A": ["3dk7_SX7_A_1_P00520/ChEMBL31.compound.22173_aligned.sdf", "RDXOLI"]}, "SX7_2": {"B": ["3dk7_SX7_B_2_P00520/ChEMBL31.compound.382730_aligned.sdf", "E6FOV1"]}}, "3dk8": {"FAD_479": {"A": ["3dk8_FAD_A_479_P00390/ChEMBL31.compound.165010_aligned.sdf", "GFL3XC"]}}, "3dk9": {"FAD_479": {"A": ["3dk9_FAD_A_479_P00390/ChEMBL31.compound.165010_aligned.sdf", "6GQLCH"]}}, "3dkc": {"ATP_1": {"A": ["3dkc_ATP_A_1_P08581/Christmann2016.compound.282_aligned.sdf", "2P4C8T"]}}, "3dkf": {"SX8_1": {"A": ["3dkf_SX8_A_1_P08581/ChEMBL31.compound.349754_aligned.sdf", "QSVIA3"]}}, "3dkg": {"SX8_1": {"A": ["3dkg_SX8_A_1_P08581/Christmann2016.compound.202_aligned.sdf", "48GWHP"]}}, "3dkj": {"PRP_501": {"A": ["3dkj_PRP_A_501_P43490/ChEMBL31.compound.214576_aligned.sdf", "BT02UR"], "B": ["3dkj_PRP_B_501_P43490/ChEMBL31.compound.401319_aligned.sdf", "037X7X"]}, "UNU_502": {"A": ["3dkj_UNU_A_502_P43490/ChEMBL31.compound.308976_aligned.sdf", "QYABZB"], "B": ["3dkj_UNU_B_502_P43490/ChEMBL31.compound.401315_aligned.sdf", "QUHNEX"]}}, "3dkl": {"PRP_503": {"B": ["3dkl_PRP_B_503_P43490/ChEMBL31.compound.224656_aligned.sdf", "D8KLRB"]}, "PRP_504": {"B": ["3dkl_PRP_B_504_P43490/ChEMBL31.compound.401316_aligned.sdf", "ZL2B1N"]}, "UNU_504": {"A": ["3dkl_UNU_A_504_P43490/ChEMBL31.compound.401315_aligned.sdf", "HCHMHI"]}, "UNU_505": {"B": ["3dkl_UNU_B_505_P43490/ChEMBL31.compound.308976_aligned.sdf", "82S2VT"]}}, "3dlz": {"AMP_902": {"A": ["3dlz_AMP_A_902_Q8TF76/ChEMBL31.compound.466497_aligned.sdf", "UDKMMQ"]}}, "3dm6": {"757_1000": {"A": ["3dm6_757_A_1000_P56817/ChEMBL31.compound.132851_aligned.sdf", "136NDG"], "B": ["3dm6_757_B_1000_P56817/ChEMBL31.compound.139599_aligned.sdf", "IB905S"], "C": ["3dm6_757_C_1000_P56817/ChEMBL31.compound.132847_aligned.sdf", "1RK3R4"]}}, "3dn5": {"53N_600": {"A": ["3dn5_53N_A_600_P15121/ChEMBL31.compound.15990_aligned.sdf", "UV5YKB"]}, "NAP_500": {"A": ["3dn5_NAP_A_500_P15121/ChEMBL31.compound.934_aligned.sdf", "6BX6HJ"]}}, "3dng": {"AXA_1": {"A": ["3dng_AXA_A_1_P22894/ChEMBL31.compound.274659_aligned.sdf", "C71I6V"]}, "AXA_2": {"B": ["3dng_AXA_B_2_P22894/ChEMBL31.compound.382101;ChEMBL31.compound.382102_aligned.sdf", "9IXAN4"]}}, "3dog": {"NNN_299": {"A": ["3dog_NNN_A_299_P24941/4438916_aligned.sdf", "R8Z8AC"], "C": ["3dog_NNN_C_299_P24941/Christmann2016.compound.226_aligned.sdf", "K8VIYI"]}}, "3dp4": {"AMQ_374": {"A": ["3dp4_AMQ_A_374_P19492/ChEMBL31.compound.1933_aligned.sdf", "B3U5NH"]}}, "3dpd": {"41A_2040": {"A": ["3dpd_41A_A_2040_P48736/ChEMBL31.compound.256526_aligned.sdf", "G4NPJC"]}}, "3dpe": {"AXB_1": {"A": ["3dpe_AXB_A_1_P22894/ChEMBL31.compound.157831_aligned.sdf", "L976TA"]}}, "3dpf": {"AXB_1": {"A": ["3dpf_AXB_A_1_P22894/ChEMBL31.compound.273997_aligned.sdf", "C6K2WM"]}, "AXB_2": {"B": ["3dpf_AXB_B_2_P22894/ChEMBL31.compound.275454_aligned.sdf", "RCCFM1"]}}, "3dpk": {"8C5_923": {"A": ["3dpk_8C5_A_923_P07333/Christmann2016.compound.325_aligned.sdf", "OKC84H"]}}, "3dqr": {"JI2_800": {"A": ["3dqr_JI2_A_800_P29476/ChEMBL31.compound.231075_aligned.sdf", "POS46M"], "B": ["3dqr_JI2_B_800_P29476/ChEMBL31.compound.251913_aligned.sdf", "IZZW8Y"]}}, "3dqs": {"H4B_760": {"A": ["3dqs_H4B_A_760_P29473/ChEMBL31.compound.254122_aligned.sdf", "KM6EQI"], "B": ["3dqs_H4B_B_760_P29473/ChEMBL31.compound.251914_aligned.sdf", "8F0M4D"]}, "JI3_800": {"A": ["3dqs_JI3_A_800_P29473/ChEMBL31.compound.157472_aligned.sdf", "C4E9WA"], "B": ["3dqs_JI3_B_800_P29473/ChEMBL31.compound.231952_aligned.sdf", "XARRNH"]}}, "3dqt": {"H4B_760": {"A": ["3dqt_H4B_A_760_P29473/ChEMBL31.compound.251913_aligned.sdf", "3AWEUD"], "B": ["3dqt_H4B_B_760_P29473/ChEMBL31.compound.254122_aligned.sdf", "FTSF3Z"]}, "JI7_800": {"A": ["3dqt_JI7_A_800_P29473/ChEMBL31.compound.157471_aligned.sdf", "8DR73T"], "B": ["3dqt_JI7_B_800_P29473/ChEMBL31.compound.251910;ChEMBL31.compound.251917;ChEMBL31.compound.251911_aligned.sdf", "VP7MCI"]}}, "3dqw": {"AGS_534": {"A": ["3dqw_AGS_A_534_P00523/ChEMBL31.compound.116576_aligned.sdf", "6W9P2M"], "B": ["3dqw_AGS_B_534_P00523/ChEMBL31.compound.122208_aligned.sdf", "4CA0OJ"], "C": ["3dqw_AGS_C_534_P00523/ChEMBL31.compound.9690_aligned.sdf", "VRFM1L"]}}, "3dqx": {"AMP_1": {"A": ["3dqx_AMP_A_1_P00523/ChEMBL31.compound.65036_aligned.sdf", "2NNPZM"]}, "AMP_2": {"B": ["3dqx_AMP_B_2_P00523/ChEMBL31.compound.9690_aligned.sdf", "H2SIH3"]}}, "3dr1": {"C5D_500": {"A": ["3dr1_C5D_A_500_Q9PTN2/ChEMBL31.compound.5992_aligned.sdf", "DIZMY9"]}}, "3drc": {"MTX_161": {"A": ["3drc_MTX_A_161_P0ABQ4/ChEMBL31.compound.2020_aligned.sdf", "7CBYBH"]}, "MTX_361": {"B": ["3drc_MTX_B_361_P0ABQ4/ChEMBL31.compound.20437_aligned.sdf", "VEIQ3X"]}}, "3ds6": {"A17_361": {"A": ["3ds6_A17_A_361_Q16539/ChEMBL31.compound.405895;10002990;ChEMBL31.compound.203087_aligned.sdf", "13M38K"], "B": ["3ds6_A17_B_361_Q16539/4476302;4476302;ChEMBL31.compound.162541_aligned.sdf", "V2RUOS"], "C": ["3ds6_A17_C_361_Q16539/4366966_aligned.sdf", "KVAQPX"], "D": ["3ds6_A17_D_361_Q16539/10046604_aligned.sdf", "NXM8GU"]}}, "3dt0": {"16U_901": {"H": ["3dt0_16U_H_901_P00734/ChEMBL31.compound.240239_aligned.sdf", "W5ZECT"]}}, "3dt1": {"P40_361": {"A": ["3dt1_P40_A_361_Q16539/4402419_aligned.sdf", "B7JVNS"]}}, "3dt3": {"369_1": {"A": ["3dt3_369_A_1_P03372/ChEMBL31.compound.289314_aligned.sdf", "3WW0M6"]}, "369_2": {"B": ["3dt3_369_B_2_P03372/ChEMBL31.compound.135815;ChEMBL31.compound.135815;ChEMBL31.compound.135713_aligned.sdf", "MQT6HB"]}}, "3dtw": {"A96_501": {"A": ["3dtw_A96_A_501_P35968/ChEMBL31.compound.75482_aligned.sdf", "86PLCI"]}, "A96_502": {"B": ["3dtw_A96_B_502_P35968/ChEMBL31.compound.315031_aligned.sdf", "UV09YD"]}}, "3du8": {"553_553": {"A": ["3du8_553_A_553_P49841/Christmann2016.compound.307_aligned.sdf", "7KZLQ5"], "B": ["3du8_553_B_553_P49841/ChEMBL31.compound.354372_aligned.sdf", "K41K5K"]}}, "3dux": {"64U_901": {"H": ["3dux_64U_H_901_P00734/ChEMBL31.compound.46236_aligned.sdf", "1YNFTU"]}}, "3duy": {"AFJ_501": {"A": ["3duy_AFJ_A_501_P56817/ChEMBL31.compound.139599_aligned.sdf", "0VX2AP"], "B": ["3duy_AFJ_B_501_P56817/ChEMBL31.compound.217123_aligned.sdf", "7ZO9QN"], "C": ["3duy_AFJ_C_501_P56817/ChEMBL31.compound.36532_aligned.sdf", "KYKQYB"]}}, "3dv1": {"AR9_501": {"A": ["3dv1_AR9_A_501_P56817/ChEMBL31.compound.217113_aligned.sdf", "501QPO"], "B": ["3dv1_AR9_B_501_P56817/ChEMBL31.compound.139599_aligned.sdf", "7FHO0Y"], "C": ["3dv1_AR9_C_501_P56817/ChEMBL31.compound.170071;ChEMBL31.compound.170342_aligned.sdf", "1E0IH0"]}}, "3dv3": {"MEK_9001": {"A": ["3dv3_MEK_A_9001_Q02750/ChEMBL31.compound.187406_aligned.sdf", "LGGMKB"]}}, "3dv5": {"BAV_501": {"A": ["3dv5_BAV_A_501_P56817/ChEMBL31.compound.89148_aligned.sdf", "MTT7NR"], "B": ["3dv5_BAV_B_501_P56817/ChEMBL31.compound.139599_aligned.sdf", "RI25QZ"], "C": ["3dv5_BAV_C_501_P56817/ChEMBL31.compound.94976_aligned.sdf", "8Q44AH"]}}, "3dwj": {"H4B_902": {"A": ["3dwj_H4B_A_902_P29477/ChEMBL31.compound.157465_aligned.sdf", "CGDSBZ"], "B": ["3dwj_H4B_B_902_P29477/ChEMBL31.compound.251913_aligned.sdf", "38T0DB"]}}, "3dww": {"GSH_153": {"C": ["3dww_GSH_C_153_O14684/ChEMBL31.compound.204978_aligned.sdf", "PNF83C"]}, "GSH_154": {"A": ["3dww_GSH_A_154_O14684/ChEMBL31.compound.293033_aligned.sdf", "5XN568"]}, 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