MYH7_HUMAN_1_783_0,4db1_A_rec.pdb,5n69_2ow_lig.sdf,-21.48075294494629,-33.309749603271484,20.832666397094727
KDSA_NEIMB_1_280_0,3qq0_A_rec.pdb,3fyo_pep_lig.sdf,33.294498443603516,-7.671699523925781,75.23270416259766
DRTS_TRYCR_1_521_0,3cl9_A_rec.pdb,3kjs_nap_lig.sdf,-39.536338806152344,12.034963607788086,-5.61549186706543
DRTS_TRYCR_1_521_0,3iro_B_rec.pdb,3irn_1cy_lig.sdf,-39.57192611694336,13.017927169799805,-5.446926593780518
DRTS_TRYCR_1_521_0,3iro_B_rec.pdb,5t7o_thg_lig.sdf,-39.57192611694336,13.017927169799805,-5.446926593780518
DRTS_TRYCR_1_521_0,3iro_B_rec.pdb,3inv_c50_lig.sdf,-39.57192611694336,13.017927169799805,-5.446926593780518
DRTS_TRYCR_1_521_0,3irn_C_rec.pdb,5t7o_nap_lig.sdf,-39.3309440612793,12.65509033203125,-5.589895248413086
DRTS_TRYCR_1_521_0,3iro_B_rec.pdb,3clb_nap_lig.sdf,-39.57192611694336,13.017927169799805,-5.446926593780518
DRTS_TRYCR_1_521_0,3kjs_C_rec.pdb,3clb_tmq_lig.sdf,-39.25390625,12.536741256713867,-5.568655490875244
DRTS_TRYCR_1_521_0,3cl9_A_rec.pdb,3iro_ndp_lig.sdf,-39.536338806152344,12.034963607788086,-5.61549186706543
DRTS_TRYCR_1_521_0,5t7o_B_rec.pdb,3irm_1cy_lig.sdf,-39.35441970825195,12.291805267333984,-4.367607116699219
DRTS_TRYCR_1_521_0,3irn_C_rec.pdb,3kjs_dq1_lig.sdf,-39.3309440612793,12.65509033203125,-5.589895248413086
DRTS_TRYCR_1_521_0,3irn_C_rec.pdb,3cl9_nap_lig.sdf,-39.3309440612793,12.65509033203125,-5.589895248413086
DRTS_TRYCR_1_521_0,5t7o_B_rec.pdb,3iro_2cy_lig.sdf,-39.35441970825195,12.291805267333984,-4.367607116699219
DRTS_TRYCR_1_521_0,3inv_B_rec.pdb,3irn_ndp_lig.sdf,-39.14017868041992,12.709840774536133,-5.975297927856445
EFEB_ECOLI_35_423_0,2y4f_A_rec.pdb,2y4d_pg4_lig.sdf,13.612653732299805,-27.57493019104004,-18.239826202392578
EFEB_ECOLI_35_423_0,2y4f_A_rec.pdb,2y4e_pp9_lig.sdf,13.612653732299805,-27.57493019104004,-18.239826202392578
SPS3_ARATH_75_422_0,3apz_A_rec.pdb,3aq0_ppv_lig.sdf,-43.341468811035156,35.95393371582031,3.615333318710327
SPS3_ARATH_75_422_0,3apz_A_rec.pdb,3aq0_isy_lig.sdf,-43.341468811035156,35.95393371582031,3.615333318710327
TOP2_YEAST_1_415_allosteric_0,1pvg_A_rec.pdb,1qzr_cdx_lig.sdf,27.677642822265625,33.47785568237305,32.105499267578125
THIM_BACSU_1_272_ATP_0,1c3q_A_rec.pdb,1esq_atp_lig.sdf,44.67028045654297,12.217571258544922,14.190000534057617
SIA_ASPFU_13_406_0,4m4v_A_rec.pdb,2xzj_kfn_lig.sdf,47.56380081176758,35.04999923706055,44.155330657958984
SIA_ASPFU_13_406_0,2xzi_A_rec.pdb,4m4v_dan_lig.sdf,47.01262283325195,34.9249382019043,43.590126037597656
SIA_ASPFU_13_406_0,2xcy_A_rec.pdb,2xzi_kdm_lig.sdf,47.002498626708984,34.91587448120117,43.62312316894531
ILVE_MYCTU_1_368_0,3ht5_A_rec.pdb,5u3f_7ts_lig.sdf,6.088583469390869,-12.046375274658203,-25.526626586914062
ILVE_MYCTU_1_368_0,5u3f_A_rec.pdb,3ht5_pmp_lig.sdf,6.2669196128845215,-12.273920059204102,-25.477441787719727
RXRA_HUMAN_222_461_ligBind_0,3a9e_A_rec.pdb,1mzn_bm6_lig.sdf,2.9336977005004883,19.40839958190918,31.481281280517578
RXRA_HUMAN_222_461_ligBind_0,3a9e_A_rec.pdb,2acl_rea_lig.sdf,2.9336977005004883,19.40839958190918,31.481281280517578
BCAT1_HUMAN_9_386_0,2coj_A_rec.pdb,2cog_4mv_lig.sdf,21.693824768066406,63.922000885009766,125.34443664550781
BCAT1_HUMAN_9_386_0,2cog_B_rec.pdb,2abj_cbc_lig.sdf,22.129045486450195,63.857177734375,124.863037109375
BCAT1_HUMAN_9_386_0,2abj_D_rec.pdb,2coj_gbn_lig.sdf,21.99742889404297,63.73756790161133,124.48714447021484
RIPS_PHYAM_1_261_0,1gik_A_rec.pdb,1j1r_ade_lig.sdf,30.053815841674805,24.83700180053711,14.871186256408691
RIPS_PHYAM_1_261_0,1j1r_A_rec.pdb,1j1s_fmp_lig.sdf,30.150188446044922,24.81912612915039,14.826249122619629
G3P_GEOSE_2_335_0,1nq5_O_rec.pdb,1nqa_g3h_lig.sdf,0.6287000179290771,45.902896881103516,107.63240051269531
G3P_GEOSE_2_335_0,1nqa_O_rec.pdb,1nqo_g3h_lig.sdf,0.680899977684021,45.993202209472656,107.65348815917969
RIHA_ECOLI_1_311_0,1yoe_A_rec.pdb,3g5i_dnb_lig.sdf,47.02924346923828,4.966750144958496,29.83169174194336
RIHA_ECOLI_1_311_0,3g5i_A_rec.pdb,1yoe_rib_lig.sdf,47.02146530151367,5.525470733642578,30.236648559570312
VRK1_HUMAN_2_364_0,3op5_A_rec.pdb,6bp0_e1d_lig.sdf,-27.405668258666992,5.248833656311035,50.415836334228516
VRK1_HUMAN_2_364_0,5uvf_C_rec.pdb,6bu6_e8v_lig.sdf,-26.906770706176758,4.773454666137695,49.34463882446289
VRK1_HUMAN_2_364_0,6bu6_A_rec.pdb,5uvf_7dz_lig.sdf,-27.70015525817871,5.016153335571289,50.75250244140625
VRK1_HUMAN_2_364_0,6bp0_B_rec.pdb,6btw_e8d_lig.sdf,-26.190298080444336,4.534300327301025,48.70329666137695
VRK1_HUMAN_2_364_0,6bru_D_rec.pdb,5ukf_8e1_lig.sdf,-26.358348846435547,4.487099647521973,48.70924758911133
VRK1_HUMAN_2_364_0,5uvf_C_rec.pdb,6bru_e5m_lig.sdf,-26.906770706176758,4.773454666137695,49.34463882446289
VRK1_HUMAN_2_364_0,6btw_D_rec.pdb,3op5_reb_lig.sdf,-26.293750762939453,4.467850208282471,48.694942474365234
ZFPS_SOLHA_71_303_0,5hxn_A_rec.pdb,5hxp_ipr_lig.sdf,-31.638813018798828,13.71818733215332,15.264187812805176
ZFPS_SOLHA_71_303_0,5hxq_C_rec.pdb,5hxt_dst_lig.sdf,-31.36978530883789,13.1140718460083,15.00007152557373
PUR1_ECOLI_2_505_0,1ecc_A_rec.pdb,1ecb_5gp_lig.sdf,25.82893180847168,40.856712341308594,76.16809844970703
PUR1_ECOLI_2_505_0,1ecf_A_rec.pdb,1ecc_pcp_lig.sdf,26.880332946777344,41.55042266845703,78.2833251953125
PUR1_ECOLI_2_505_0,1ecb_A_rec.pdb,1ecj_amp_lig.sdf,26.030317306518555,40.795860290527344,77.5871353149414
URIC_ARTGO_4_300_0,2yze_A_rec.pdb,2yzb_urc_lig.sdf,22.801349639892578,68.2362289428711,9.838116645812988
URIC_ARTGO_4_300_0,2yzc_A_rec.pdb,1vay_aza_lig.sdf,22.810998916625977,68.23776245117188,9.781822204589844
SPRE_MOUSE_2_261_0,1oaa_A_rec.pdb,1nas_oaa_lig.sdf,-15.22819995880127,58.352455139160156,25.204099655151367
SPRE_MOUSE_2_261_0,1nas_A_rec.pdb,1sep_bio_lig.sdf,-15.58790397644043,58.602569580078125,25.6661434173584
SPRE_MOUSE_2_261_0,1nas_A_rec.pdb,1oaa_oaa_lig.sdf,-15.58790397644043,58.602569580078125,25.6661434173584
SPRE_MOUSE_2_261_0,1oaa_A_rec.pdb,1nas_ase_lig.sdf,-15.22819995880127,58.352455139160156,25.204099655151367
RHMD_ECOLI_1_401_0,3cxo_A_rec.pdb,3d47_mlt_lig.sdf,18.48042106628418,22.5855770111084,88.43035888671875
RHMD_ECOLI_1_401_0,2gsh_A_rec.pdb,3cxo_3lr_lig.sdf,18.483423233032227,22.563053131103516,88.3966293334961
RHMD_ECOLI_1_401_0,3d47_A_rec.pdb,3cxo_1n5_lig.sdf,18.48857879638672,22.58205223083496,88.42022705078125
5NTD_HUMAN_24_549_0,4h2i_A_rec.pdb,4h2b_0xe_lig.sdf,-21.809574127197266,18.378854751586914,-35.410316467285156
5NTD_HUMAN_24_549_0,4h1s_A_rec.pdb,4h2i_a12_lig.sdf,-20.53075408935547,19.087636947631836,-35.07872009277344
5NTD_HUMAN_24_549_0,4h2b_A_rec.pdb,4h1y_0yq_lig.sdf,-20.583097457885742,19.029659271240234,-36.97679901123047
SODC_HUMAN_2_154_quinazoline2_0,3gtv_A_rec.pdb,4a7g_12i_lig.sdf,11.242691993713379,-6.400691509246826,25.54615592956543
SODC_HUMAN_2_154_quinazoline2_0,3gtv_A_rec.pdb,4a7u_ale_lig.sdf,11.242691993713379,-6.400691509246826,25.54615592956543
5EAS_TOBAC_2_548_0,4di5_A_rec.pdb,5ili_3fx_lig.sdf,111.20845031738281,40.18252182006836,47.589168548583984
5EAS_TOBAC_2_548_0,5ika_A_rec.pdb,5ik0_fpp_lig.sdf,110.9103012084961,40.29365158081055,47.520545959472656
5EAS_TOBAC_2_548_0,5eau_A_rec.pdb,5ily_dpo_lig.sdf,110.81900787353516,40.001155853271484,47.0815544128418
5EAS_TOBAC_2_548_0,5ik0_A_rec.pdb,5ik9_fjp_lig.sdf,111.17996978759766,40.00459671020508,47.80656814575195
5EAS_TOBAC_2_548_0,5eau_A_rec.pdb,3m00_2cf_lig.sdf,110.81900787353516,40.001155853271484,47.0815544128418
5EAS_TOBAC_2_548_0,5dhk_A_rec.pdb,1hxc_fhp_lig.sdf,111.36479949951172,40.45448684692383,47.45302963256836
5EAS_TOBAC_2_548_0,3m00_A_rec.pdb,4rnq_a4s_lig.sdf,111.32015991210938,39.78965759277344,47.28275680541992
5EAS_TOBAC_2_548_0,5il8_A_rec.pdb,5ily_btb_lig.sdf,111.41858673095703,40.243465423583984,47.7679557800293
5EAS_TOBAC_2_548_0,3m01_A_rec.pdb,5eat_fhp_lig.sdf,111.02259826660156,40.04994201660156,47.3066291809082
5EAS_TOBAC_2_548_0,3m01_A_rec.pdb,4di5_1ga_lig.sdf,111.02259826660156,40.04994201660156,47.3066291809082
5EAS_TOBAC_2_548_0,4rnq_A_rec.pdb,5ik6_cre_lig.sdf,110.9195556640625,40.33938980102539,47.57426834106445
5EAS_TOBAC_2_548_0,3lz9_A_rec.pdb,5il8_6bx_lig.sdf,111.32484436035156,39.719749450683594,47.37849807739258
5EAS_TOBAC_2_548_0,5dhk_A_rec.pdb,1hxa_fhp_lig.sdf,111.36479949951172,40.45448684692383,47.45302963256836
5EAS_TOBAC_2_548_0,5ily_A_rec.pdb,5ik6_dpo_lig.sdf,110.6507339477539,40.72235870361328,47.573272705078125
5EAS_TOBAC_2_548_0,1hxa_A_rec.pdb,5eau_fff_lig.sdf,110.93096923828125,39.71328353881836,47.852508544921875
5EAS_TOBAC_2_548_0,5dhi_A_rec.pdb,3m02_2cf_lig.sdf,111.26716613769531,39.915287017822266,47.78285598754883
5EAS_TOBAC_2_548_0,1hxc_A_rec.pdb,5ilj_btb_lig.sdf,110.72801208496094,39.63423538208008,46.77322006225586
5EAS_TOBAC_2_548_0,5ilk_A_rec.pdb,3lz9_fpf_lig.sdf,111.16871643066406,40.19099807739258,47.62236404418945
5EAS_TOBAC_2_548_0,5ik9_A_rec.pdb,5ika_dpo_lig.sdf,110.9683609008789,40.04600143432617,48.09811019897461
5EAS_TOBAC_2_548_0,5eau_A_rec.pdb,5dhk_far_lig.sdf,110.81900787353516,40.001155853271484,47.0815544128418
5EAS_TOBAC_2_548_0,1hxg_A_rec.pdb,4di5_dpo_lig.sdf,111.50981140136719,40.01183319091797,47.86552429199219
5EAS_TOBAC_2_548_0,5ik9_A_rec.pdb,5ikh_6bw_lig.sdf,110.9683609008789,40.04600143432617,48.09811019897461
5EAS_TOBAC_2_548_0,5ika_A_rec.pdb,5ilz_b3p_lig.sdf,110.9103012084961,40.29365158081055,47.520545959472656
5EAS_TOBAC_2_548_0,4di5_A_rec.pdb,3m01_fpf_lig.sdf,111.20845031738281,40.18252182006836,47.589168548583984
5EAS_TOBAC_2_548_0,5ilj_A_rec.pdb,1hx9_fhp_lig.sdf,111.1399917602539,40.451236724853516,47.75749588012695
NPC1_HUMAN_11_252_0,3gki_A_rec.pdb,3gkj_hc3_lig.sdf,-35.089290618896484,-27.024457931518555,2.7221248149871826
NPC1_HUMAN_11_252_0,3gkj_A_rec.pdb,3gki_clr_lig.sdf,-35.32475280761719,-26.927621841430664,3.375833511352539
ARF1_HUMAN_12_181_0,1r8s_A_rec.pdb,1s9d_afb_lig.sdf,29.27033233642578,11.527584075927734,30.411331176757812
ALDH2_HUMAN_18_517_0,1ag8_B_rec.pdb,1o04_nad_lig.sdf,-3.4010941982269287,48.93809509277344,56.445552825927734
ALBU_RABIT_25_608_0,3v09_A_rec.pdb,4po0_nps_lig.sdf,58.75731658935547,28.995681762695312,51.79526138305664
ALBU_RABIT_25_608_0,3v09_A_rec.pdb,4f5v_pge_lig.sdf,58.75731658935547,28.995681762695312,51.79526138305664
AZOR1_PSEAE_1_212_0,3lt5_A_rec.pdb,3keg_mre_lig.sdf,-21.8774471282959,-9.267250061035156,20.977500915527344
AZOR1_PSEAE_1_212_0,4n9q_B_rec.pdb,4n65_aqn_lig.sdf,-22.38083267211914,-9.099111557006836,20.311668395996094
AZOR1_PSEAE_1_212_0,4n65_B_rec.pdb,3r6w_nfz_lig.sdf,-21.669235229492188,-8.269001007080078,19.531295776367188
AZOR1_PSEAE_1_212_0,2v9c_A_rec.pdb,3lt5_blq_lig.sdf,-22.31281280517578,-8.235688209533691,19.493375778198242
AZOR1_PSEAE_1_212_0,3lt5_A_rec.pdb,2v9c_mre_lig.sdf,-21.8774471282959,-9.267250061035156,20.977500915527344
AZOR1_PSEAE_1_212_0,4n65_B_rec.pdb,4n9q_uq1_lig.sdf,-21.669235229492188,-8.269001007080078,19.531295776367188
XYLA_ARTS7_2_395_0,1did_A_rec.pdb,1die_noj_lig.sdf,28.993331909179688,76.13204193115234,11.89699935913086
XYLA_ARTS7_2_395_0,1die_A_rec.pdb,1xli_glt_lig.sdf,29.14975357055664,76.67154693603516,11.814801216125488
XYLA_ARTS7_2_395_0,1die_A_rec.pdb,1xlf_gco_lig.sdf,29.14975357055664,76.67154693603516,11.814801216125488
XYLA_ARTS7_2_395_0,1xla_A_rec.pdb,1xlm_xyl_lig.sdf,29.146453857421875,76.65016174316406,11.812749862670898
XYLA_ARTS7_2_395_0,1xlm_A_rec.pdb,1did_dig_lig.sdf,28.621301651000977,75.99540710449219,11.742700576782227
XYLA_ARTS7_2_395_0,1did_A_rec.pdb,4xia_sor_lig.sdf,28.993331909179688,76.13204193115234,11.89699935913086
XYLA_ARTS7_2_395_0,1xli_A_rec.pdb,1xld_xyl_lig.sdf,29.0067138671875,76.12220001220703,11.915998458862305
NMNA3_HUMAN_1_252_0,1nuq_A_rec.pdb,1nup_nmn_lig.sdf,-1.5211080312728882,-8.96540641784668,16.413755416870117
NMNA3_HUMAN_1_252_0,1nut_A_rec.pdb,1nus_nmn_lig.sdf,-1.7030750513076782,-8.08329963684082,16.798974990844727
NMNA3_HUMAN_1_252_0,1nur_A_rec.pdb,1nus_apc_lig.sdf,-1.969512939453125,-8.340203285217285,15.889333724975586
NMNA3_HUMAN_1_252_0,1nup_B_rec.pdb,1nut_apc_lig.sdf,-1.4950270652770996,-9.070810317993164,16.4063777923584
NMNA3_HUMAN_1_252_0,1nuq_A_rec.pdb,1nuu_nad_lig.sdf,-1.5211080312728882,-8.96540641784668,16.413755416870117
NMNA3_HUMAN_1_252_0,1nus_B_rec.pdb,1nuq_nxx_lig.sdf,-1.8590748310089111,-8.123151779174805,16.72174835205078
TPL_CITFR_1_456_0,2ycn_A_rec.pdb,2vlf_pli_lig.sdf,24.938064575195312,83.18199920654297,7.160806179046631
TPL_CITFR_1_456_0,2yct_A_rec.pdb,2ycp_p61_lig.sdf,24.916902542114258,83.23400115966797,7.175322532653809
TPL_CITFR_1_456_0,2ez2_A_rec.pdb,2ycn_p61_lig.sdf,24.90286636352539,83.25819396972656,7.193129539489746
TPL_CITFR_1_456_0,2ycn_A_rec.pdb,2yct_9po_lig.sdf,24.938064575195312,83.18199920654297,7.160806179046631
TPL_CITFR_1_456_0,2ycp_A_rec.pdb,2yct_plp_lig.sdf,25.23748207092285,83.6013412475586,6.5694475173950195
TPL_CITFR_1_456_0,2ez2_A_rec.pdb,2yct_pli_lig.sdf,24.90286636352539,83.25819396972656,7.193129539489746
TPL_CITFR_1_456_0,2ycn_A_rec.pdb,2vlh_pm9_lig.sdf,24.938064575195312,83.18199920654297,7.160806179046631
CDC42_HUMAN_1_185_0,3eg5_C_rec.pdb,4js0_gnp_lig.sdf,25.071657180786133,37.58515167236328,30.135339736938477
CDC42_HUMAN_1_185_0,3eg5_C_rec.pdb,1a4r_gnh_lig.sdf,25.071657180786133,37.58515167236328,30.135339736938477
SYL_ECOLI_413_860_0,5omw_A_rec.pdb,3zgz_84t_lig.sdf,-52.930328369140625,32.739410400390625,-35.508705139160156
SYL_ECOLI_413_860_0,5omw_A_rec.pdb,4cqn_ila_lig.sdf,-52.930328369140625,32.739410400390625,-35.508705139160156
SYL_ECOLI_413_860_0,3zgz_D_rec.pdb,5omw_lss_lig.sdf,-52.52914810180664,32.031036376953125,-36.078678131103516
NAMPT_HUMAN_1_490_0,2h3b_A_rec.pdb,5lx5_7a0_lig.sdf,12.474600791931152,8.60672664642334,3.683072805404663
NAMPT_HUMAN_1_490_0,2h3b_A_rec.pdb,4o12_2qg_lig.sdf,12.474600791931152,8.60672664642334,3.683072805404663
ADH1G_HUMAN_2_375_0,1ht0_A_rec.pdb,1u3w_fxy_lig.sdf,-46.73905944824219,-60.369869232177734,43.381065368652344
GRM7_HUMAN_34_517_0,5c5c_A_rec.pdb,3mq4_z99_lig.sdf,-18.115631103515625,-39.04636764526367,-20.683786392211914
MA1A1_MOUSE_177_648_0,1nxc_A_rec.pdb,5kkb_1ps_lig.sdf,88.31600189208984,34.23628616333008,-28.029144287109375
PDXK_SHEEP_1_312_0,1lhp_B_rec.pdb,1ygk_rrc_lig.sdf,-17.60596466064453,58.82039260864258,35.704166412353516
PDXK_SHEEP_1_312_0,1lhp_B_rec.pdb,1ygj_rmc_lig.sdf,-17.60596466064453,58.82039260864258,35.704166412353516
PDXK_SHEEP_1_312_0,1ygj_A_rec.pdb,1rfu_plp_lig.sdf,-18.778430938720703,58.89309310913086,35.45904541015625
PDXK_SHEEP_1_312_0,1ygk_A_rec.pdb,1yhj_r6c_lig.sdf,-18.869434356689453,58.667911529541016,35.578956604003906
PDXK_SHEEP_1_312_0,1ygk_A_rec.pdb,1rft_pxm_lig.sdf,-18.869434356689453,58.667911529541016,35.578956604003906
DJC10_MOUSE_668_791_0,3aps_B_rec.pdb,5ayl_1ps_lig.sdf,62.26013946533203,-24.877857208251953,11.31871509552002
FZD7_HUMAN_30_171_0,5t44_A_rec.pdb,5urv_ner_lig.sdf,17.14499855041504,39.57962417602539,4.321749687194824
NOD13_MEDTR_1_163_0,4jhh_A_rec.pdb,4gy9_zip_lig.sdf,38.07979965209961,14.74000072479248,10.232799530029297
NOD13_MEDTR_1_163_0,4gy9_A_rec.pdb,4jhi_emu_lig.sdf,38.5880012512207,14.442314147949219,10.767250061035156
NOD13_MEDTR_1_163_0,4jhi_A_rec.pdb,4jhg_zea_lig.sdf,38.09586715698242,14.701799392700195,10.241399765014648
NOD13_MEDTR_1_163_0,4jhi_A_rec.pdb,4jhh_h35_lig.sdf,38.09586715698242,14.701799392700195,10.241399765014648
URE2_YEAST_95_354_0,1k0a_A_rec.pdb,1k0b_gsh_lig.sdf,-3.7734501361846924,21.904399871826172,51.08039474487305
URE2_YEAST_95_354_0,1k0b_A_rec.pdb,1k0c_gtb_lig.sdf,-4.22031831741333,21.06263542175293,51.303409576416016
URE2_YEAST_95_354_0,1k0c_A_rec.pdb,1k0a_gtx_lig.sdf,-3.767817735671997,20.63995361328125,51.5509033203125
ARC3_CBDP_41_251_0,2c8a_B_rec.pdb,2c8c_adp_lig.sdf,38.57459259033203,22.71363067626953,36.29514694213867
ARC3_CBDP_41_251_0,1g24_D_rec.pdb,1gzf_adp_lig.sdf,38.72096252441406,22.71615219116211,35.905616760253906
ARC3_CBDP_41_251_0,2c8a_B_rec.pdb,2c8f_nad_lig.sdf,38.57459259033203,22.71363067626953,36.29514694213867
ARC3_CBDP_41_251_0,1gzf_C_rec.pdb,2a9k_nad_lig.sdf,38.712554931640625,22.964296340942383,35.98606872558594
ARC3_CBDP_41_251_0,1gzf_C_rec.pdb,2c8h_nad_lig.sdf,38.712554931640625,22.964296340942383,35.98606872558594
ARC3_CBDP_41_251_0,1gzf_C_rec.pdb,2c8c_nad_lig.sdf,38.712554931640625,22.964296340942383,35.98606872558594
ARC3_CBDP_41_251_0,2c8c_D_rec.pdb,1gzf_nir_lig.sdf,38.63192367553711,22.635578155517578,35.93000030517578
ARC3_CBDP_41_251_0,1g24_D_rec.pdb,2c8a_nca_lig.sdf,38.72096252441406,22.71615219116211,35.905616760253906
PHR_THET8_1_420_0,2j07_A_rec.pdb,2j09_fmn_lig.sdf,44.99991989135742,12.589249610900879,31.459001541137695
PHR_THET8_1_420_0,2j08_A_rec.pdb,2j07_hdf_lig.sdf,45.308048248291016,12.121500015258789,31.439271926879883
PHR_THET8_1_420_0,1iqr_A_rec.pdb,2j08_irf_lig.sdf,45.35557174682617,12.208951950073242,31.80609703063965
BST1_HUMAN_33_297_0,1isg_A_rec.pdb,1ish_enp_lig.sdf,14.791359901428223,9.675719261169434,83.14359283447266
BST1_HUMAN_33_297_0,1isi_A_rec.pdb,1ism_nca_lig.sdf,14.600167274475098,10.061583518981934,83.00882720947266
BST1_HUMAN_33_297_0,1isj_A_rec.pdb,1isg_ags_lig.sdf,14.499537467956543,9.863155364990234,83.4310302734375
BST1_HUMAN_33_297_0,1isg_A_rec.pdb,1isi_enq_lig.sdf,14.791359901428223,9.675719261169434,83.14359283447266
BST1_HUMAN_33_297_0,1isf_A_rec.pdb,1isi_nca_lig.sdf,14.741279602050781,9.669438362121582,83.11199188232422
BST1_HUMAN_33_297_0,1isi_A_rec.pdb,1isj_nmn_lig.sdf,14.600167274475098,10.061583518981934,83.00882720947266
ARGB_ECOLI_1_258_0,1oha_A_rec.pdb,1gsj_anp_lig.sdf,28.285903930664062,11.536175727844238,44.28667449951172
ARGB_ECOLI_1_258_0,1gs5_A_rec.pdb,1ohb_adp_lig.sdf,28.838735580444336,11.54284381866455,44.50092315673828
ARGB_ECOLI_1_258_0,1ohb_A_rec.pdb,1oha_adp_lig.sdf,28.65113639831543,11.502289772033691,44.85210418701172
ARGB_ECOLI_1_258_0,1oh9_A_rec.pdb,2x2w_x2w_lig.sdf,28.354427337646484,11.477675437927246,44.24280548095703
ARGB_ECOLI_1_258_0,1gsj_A_rec.pdb,2wxb_dtu_lig.sdf,28.67897605895996,11.514846801757812,44.88859176635742
ARGB_ECOLI_1_258_0,1oha_A_rec.pdb,1gs5_anp_lig.sdf,28.285903930664062,11.536175727844238,44.28667449951172
ARGB_ECOLI_1_258_0,2wxb_B_rec.pdb,1oh9_adp_lig.sdf,27.81208038330078,11.500837326049805,44.62837600708008
M2GD_HUMAN_30_866_0,4p9s_A_rec.pdb,4paa_thg_lig.sdf,-37.593475341796875,-2.6230947971343994,43.3173828125
RPIA_FRATT_1_224_0,3kwm_D_rec.pdb,4m8l_5rp_lig.sdf,56.440338134765625,12.156221389770508,6.480833530426025
RPIA_FRATT_1_224_0,4m8l_A_rec.pdb,3kwm_3gr_lig.sdf,56.748844146728516,11.867105484008789,6.613053321838379
SMO_HUMAN_187_558_0,4jkv_A_rec.pdb,4o9r_cy8_lig.sdf,54.38829040527344,103.2156753540039,59.53416061401367
SMO_HUMAN_187_558_0,5l7d_A_rec.pdb,4jkv_1ks_lig.sdf,53.75333023071289,101.82007598876953,58.340885162353516
SMO_HUMAN_187_558_0,5l7d_A_rec.pdb,5v56_836_lig.sdf,53.75333023071289,101.82007598876953,58.340885162353516
SMO_HUMAN_187_558_0,4qin_A_rec.pdb,4qim_a8t_lig.sdf,53.522979736328125,102.03873443603516,59.84971618652344
SMO_HUMAN_187_558_0,4qim_A_rec.pdb,4n4w_snt_lig.sdf,54.10837173461914,102.54618072509766,59.90576171875
SMO_HUMAN_187_558_0,5v56_A_rec.pdb,5l7i_vis_lig.sdf,54.1998405456543,103.06873321533203,59.32444381713867
SMO_HUMAN_187_558_0,5l7i_A_rec.pdb,4qin_sg8_lig.sdf,53.615623474121094,102.79894256591797,58.50778579711914
DRTS_TRYBB_1_240_0,3rg9_A_rec.pdb,3qfx_cp6_lig.sdf,-19.24994659423828,23.65105438232422,8.08105182647705
DRTS_TRYBB_1_240_0,3qfx_A_rec.pdb,3rg9_wra_lig.sdf,-19.61083221435547,24.17872428894043,8.235889434814453
PAO_PSESP_2_714_0,2yr6_A_rec.pdb,3ayi_hci_lig.sdf,95.81785583496094,56.85671615600586,92.8425064086914
PAO_PSESP_2_714_0,2yr4_B_rec.pdb,2yr6_be2_lig.sdf,96.65278625488281,56.20414352416992,93.5383529663086
AL1L1_HUMAN_1_307_0,2bw0_A_rec.pdb,2cfi_zzz_lig.sdf,34.707130432128906,13.056400299072266,19.570934295654297
PIP_THEAC_1_293_0,1mtz_A_rec.pdb,1xqx_pcs_lig.sdf,15.654455184936523,7.346635818481445,8.285819053649902
FABI_HELPY_1_275_0,2pd3_B_rec.pdb,2pd4_dcn_lig.sdf,17.671693801879883,34.20500183105469,4.863769054412842
FABI_HELPY_1_275_0,2pd4_B_rec.pdb,2pd3_tcl_lig.sdf,17.995498657226562,34.404212951660156,4.229428768157959
TSAR_COMTE_91_297_0,3fxr_A_rec.pdb,3fxu_tsu_lig.sdf,-4.975400447845459,32.331600189208984,74.89006042480469
TSAR_COMTE_91_297_0,3fxq_A_rec.pdb,3fxr_asc_lig.sdf,-4.53546667098999,32.37159729003906,74.03419494628906
ILVE_ECOLI_1_309_0,1i1l_A_rec.pdb,1iye_pgu_lig.sdf,21.36193084716797,12.309450149536133,17.74506950378418
DHBE_BACSU_1_539_0,1mdb_A_rec.pdb,1md9_dbh_lig.sdf,-2.686192035675049,18.838191986083984,31.230037689208984
DHBE_BACSU_1_539_0,1mdb_A_rec.pdb,1md9_amp_lig.sdf,-2.686192035675049,18.838191986083984,31.230037689208984
A1HB2_LOXIN_17_302_0,4rw5_A_rec.pdb,4rw3_ipd_lig.sdf,6.52946662902832,-0.04286674037575722,9.082733154296875
A1HB2_LOXIN_17_302_0,3rlg_A_rec.pdb,4rw5_oca_lig.sdf,6.536866664886475,-0.052666760981082916,9.0888671875
UPP2_HUMAN_22_315_0,3p0f_A_rec.pdb,2xrf_ura_lig.sdf,14.52869987487793,-3.0757999420166016,59.01325225830078
UPP2_HUMAN_22_315_0,2xrf_A_rec.pdb,3p0f_bau_lig.sdf,16.7952938079834,-2.8143527507781982,58.46099853515625
CYCP_ALCXX_1_127_0,2ykz_A_rec.pdb,2ylg_asc_lig.sdf,18.94110870361328,-28.171554565429688,10.955445289611816
DPSS_PINSY_2_393_0,1u0u_B_rec.pdb,1xes_3io_lig.sdf,29.853111267089844,50.92832946777344,100.58189392089844
CLPS2_AGRFC_1_103_0,4yjx_A_rec.pdb,4yka_tyc_lig.sdf,-19.115142822265625,4.414143085479736,-4.420928955078125
KDSA_HELPY_1_276_0,4z1c_B_rec.pdb,4z1d_pep_lig.sdf,20.516565322875977,-5.533187389373779,-18.284936904907227
ARD1_YEAST_1_238_0,4hnw_A_rec.pdb,4hnx_g4p_lig.sdf,-59.13777542114258,16.327777862548828,10.387332916259766
ARD1_YEAST_1_238_0,4xnh_A_rec.pdb,4hnw_ihp_lig.sdf,-59.578433990478516,16.287311553955078,10.907500267028809
ARD1_YEAST_1_238_0,4hnx_A_rec.pdb,4xnh_i6p_lig.sdf,-59.00191879272461,16.49625015258789,10.706999778747559
FUCD_XANCP_1_439_0,2hxt_A_rec.pdb,2hxu_lfc_lig.sdf,-20.00768280029297,67.47636413574219,28.186864852905273
FUCD_XANCP_1_439_0,2hne_B_rec.pdb,2hxt_ehm_lig.sdf,-20.111949920654297,67.86547088623047,28.336763381958008
PA21B_BOVIN_23_145_0,1kvy_A_rec.pdb,2zp3_mrd_lig.sdf,29.87108612060547,4.549347400665283,67.02265930175781
PA21B_BOVIN_23_145_0,2zp5_A_rec.pdb,1mkv_gel_lig.sdf,29.812908172607422,3.9186365604400635,66.70526123046875
PA21B_BOVIN_23_145_0,1o3w_A_rec.pdb,1g4i_mrd_lig.sdf,30.017623901367188,4.082417011260986,66.95529174804688
PA21B_BOVIN_23_145_0,2zp5_A_rec.pdb,2zp4_mrd_lig.sdf,29.812908172607422,3.9186365604400635,66.70526123046875
PA21B_BOVIN_23_145_0,2zp4_A_rec.pdb,1vl9_mrd_lig.sdf,30.011667251586914,4.117541790008545,67.02932739257812
PA21B_BOVIN_23_145_0,1une_A_rec.pdb,1fdk_gle_lig.sdf,29.836999893188477,4.351707935333252,66.75591278076172
PA21B_BOVIN_23_145_0,1kvw_A_rec.pdb,2b96_ann_lig.sdf,29.862045288085938,4.632608413696289,67.05830383300781
NADA_THEMA_1_298_0,5f35_A_rec.pdb,5f33_pgh_lig.sdf,11.611143112182617,1.5733333826065063,12.572524070739746
NADA_THEMA_1_298_0,5lqm_A_rec.pdb,5f3d_5uk_lig.sdf,10.956818580627441,1.864591121673584,12.218091011047363
NADA_THEMA_1_298_0,5f35_A_rec.pdb,5lqs_ntm_lig.sdf,11.611143112182617,1.5733333826065063,12.572524070739746
AGOG_PYRAE_1_256_0,1xqo_A_rec.pdb,1xqp_8hg_lig.sdf,9.520451545715332,25.69760513305664,28.484149932861328
CASR_HUMAN_2_541_ECD_0,5k5t_A_rec.pdb,5fbk_tcr_lig.sdf,-32.33176803588867,-10.565922737121582,23.28192138671875
CP19A_HUMAN_41_503_0,3s7s_A_rec.pdb,5jkv_asd_lig.sdf,84.90951538085938,54.06705856323242,48.24883270263672
CP19A_HUMAN_41_503_0,5jkv_A_rec.pdb,5jkw_tes_lig.sdf,85.35899353027344,53.8177375793457,48.198997497558594
CP19A_HUMAN_41_503_0,4gl5_A_rec.pdb,3s7s_exm_lig.sdf,84.93595123291016,54.02466583251953,48.31378173828125
CP19A_HUMAN_41_503_0,5jkv_A_rec.pdb,4gl5_g29_lig.sdf,85.35899353027344,53.8177375793457,48.198997497558594
GCST_ECOLI_1_364_0,1vlo_A_rec.pdb,3a8i_c2f_lig.sdf,-13.8306303024292,-38.17705154418945,-30.527000427246094
ILVB_YEAST_56_687_catalytic_0,1t9a_A_rec.pdb,1t9b_1cs_lig.sdf,-7.890479564666748,104.29669189453125,54.075347900390625
ILVB_YEAST_56_687_catalytic_0,1n0h_A_rec.pdb,5fem_60g_lig.sdf,-7.863304615020752,104.32017517089844,54.05943298339844
ILVB_YEAST_56_687_catalytic_0,1n0h_A_rec.pdb,1t9c_1sm_lig.sdf,-7.863304615020752,104.32017517089844,54.05943298339844
ILVB_YEAST_56_687_catalytic_0,1t9c_A_rec.pdb,1t9d_1mm_lig.sdf,-7.83382511138916,104.29718017578125,54.057003021240234
ILVB_YEAST_56_687_catalytic_0,1t9b_A_rec.pdb,1n0h_cie_lig.sdf,-7.902912139892578,104.3770523071289,54.07421875
ILVB_YEAST_56_687_catalytic_0,1t9b_A_rec.pdb,1t9a_1tb_lig.sdf,-7.902912139892578,104.3770523071289,54.07421875
CPXB_BACMB_2_464_0,2ij2_B_rec.pdb,1zo9_epm_lig.sdf,18.260297775268555,3.57840895652771,22.687591552734375
CPXB_BACMB_2_464_0,1zo4_A_rec.pdb,4dub_ldp_lig.sdf,18.27328109741211,4.62686014175415,22.69097900390625
CPXB_BACMB_2_464_0,2uwh_A_rec.pdb,4dtz_ldp_lig.sdf,18.503488540649414,4.3617777824401855,22.830066680908203
CPXB_BACMB_2_464_0,4kf2_A_rec.pdb,4zf6_1pe_lig.sdf,17.94405746459961,5.097500324249268,21.50355339050293
CPXB_BACMB_2_464_0,1fag_A_rec.pdb,1zoa_140_lig.sdf,18.47409439086914,4.463119029998779,22.807804107666016
CPXB_BACMB_2_464_0,5b2v_B_rec.pdb,4kew_1c6_lig.sdf,18.285003662109375,3.9945120811462402,22.20256233215332
CPXB_BACMB_2_464_0,1yqo_A_rec.pdb,3kx3_140_lig.sdf,18.029951095581055,4.520683765411377,22.68912696838379
CPXB_BACMB_2_464_0,4o4p_A_rec.pdb,1fag_pam_lig.sdf,18.244712829589844,4.302975654602051,22.552091598510742
CPXB_BACMB_2_464_0,3ekf_B_rec.pdb,2uwh_plm_lig.sdf,18.618579864501953,4.191813945770264,22.72418975830078
CPXB_BACMB_2_464_0,4zfa_A_rec.pdb,4hgh_syn_lig.sdf,18.398954391479492,4.25302267074585,23.04404640197754
CPXB_BACMB_2_464_0,2ij3_B_rec.pdb,4o4p_1c6_lig.sdf,18.366167068481445,4.120513439178467,22.00404930114746
CPXB_BACMB_2_464_0,4kf0_A_rec.pdb,5b2y_w10_lig.sdf,18.150644302368164,4.561350345611572,21.520374298095703
CPXB_BACMB_2_464_0,4kew_B_rec.pdb,4zfa_1pe_lig.sdf,18.314828872680664,4.135805606842041,22.75678062438965
CPXB_BACMB_2_464_0,4zf6_A_rec.pdb,3ekd_pam_lig.sdf,18.019487380981445,4.391975402832031,22.991365432739258
CPXB_BACMB_2_464_0,1zo4_A_rec.pdb,4du2_ldp_lig.sdf,18.27328109741211,4.62686014175415,22.69097900390625
CPXB_BACMB_2_464_0,4rsn_A_rec.pdb,4dtw_sro_lig.sdf,18.111156463623047,4.333615779876709,22.86271858215332
CPXB_BACMB_2_464_0,4dud_B_rec.pdb,3cbd_140_lig.sdf,18.431547164916992,4.827309608459473,23.009807586669922
CPXB_BACMB_2_464_0,5e9z_C_rec.pdb,4duf_sro_lig.sdf,18.155200958251953,4.197775840759277,22.648374557495117
CPXB_BACMB_2_464_0,5b2x_A_rec.pdb,4zf8_myt_lig.sdf,18.06702423095703,4.297898292541504,22.649715423583984
CPXB_BACMB_2_464_0,3cbd_B_rec.pdb,4due_sro_lig.sdf,18.282115936279297,4.206418514251709,22.808000564575195
CPXB_BACMB_2_464_0,1smi_A_rec.pdb,1smj_pam_lig.sdf,18.485929489135742,4.6380696296691895,22.53104591369629
CPXB_BACMB_2_464_0,2ij4_B_rec.pdb,4hgg_syn_lig.sdf,18.671483993530273,4.159720420837402,22.747047424316406
PUR3_MYCTU_1_215_0,3da8_A_rec.pdb,3dcj_thh_lig.sdf,5.629733085632324,-13.967133522033691,26.131933212280273
CP2A6_HUMAN_24_494_0,3t3q_A_rec.pdb,2fdw_d3g_lig.sdf,56.273738861083984,78.02095031738281,59.806949615478516
CP2A6_HUMAN_24_494_0,3t3r_B_rec.pdb,3t3q_9pl_lig.sdf,56.20155334472656,77.76260375976562,60.20944595336914
CP2A6_HUMAN_24_494_0,2fdu_A_rec.pdb,3t3r_9pl_lig.sdf,56.32631301879883,77.95684814453125,59.79953384399414
CP2A6_HUMAN_24_494_0,2fdw_D_rec.pdb,2fdy_d4g_lig.sdf,56.16145706176758,77.76179504394531,60.30335235595703
CP2A6_HUMAN_24_494_0,3ebs_A_rec.pdb,1z11_8mo_lig.sdf,56.225738525390625,78.0051040649414,59.83268737792969
CP2A6_HUMAN_24_494_0,4ejj_A_rec.pdb,3ebs_n4e_lig.sdf,56.31184005737305,77.93304443359375,59.882530212402344
CP2A6_HUMAN_24_494_0,2pg7_A_rec.pdb,4ejj_nct_lig.sdf,56.38304901123047,77.41889953613281,59.799652099609375
CP2A6_HUMAN_24_494_0,3ebs_A_rec.pdb,2fdv_d2g_lig.sdf,56.225738525390625,78.0051040649414,59.83268737792969
CP2A6_HUMAN_24_494_0,3t3q_A_rec.pdb,1z10_cou_lig.sdf,56.273738861083984,78.02095031738281,59.806949615478516
CP2A6_HUMAN_24_494_0,3t3q_A_rec.pdb,4rui_sne_lig.sdf,56.273738861083984,78.02095031738281,59.806949615478516
CP2A6_HUMAN_24_494_0,4ejj_A_rec.pdb,2fdu_d1g_lig.sdf,56.31184005737305,77.93304443359375,59.882530212402344
CACP_MOUSE_30_625_0,1ndi_A_rec.pdb,2h3w_hc5_lig.sdf,58.363948822021484,11.136619567871094,-1.5520474910736084
CACP_MOUSE_30_625_0,2h3w_A_rec.pdb,2h3p_152_lig.sdf,58.39823913574219,11.181476593017578,-1.4411427974700928
CACP_MOUSE_30_625_0,1ndb_A_rec.pdb,1t7o_152_lig.sdf,58.4209098815918,11.138096809387207,-1.4805238246917725
INHA_MYCTU_1_269_0,2nsd_A_rec.pdb,4ohu_2tk_lig.sdf,28.343141555786133,-30.18990707397461,-64.74027252197266
INHA_MYCTU_1_269_0,1p44_A_rec.pdb,3fng_jpl_lig.sdf,27.937030792236328,-30.09098243713379,-64.8864974975586
INHA_MYCTU_1_269_0,2b37_C_rec.pdb,2x23_nad_lig.sdf,28.187959671020508,-31.38755989074707,-65.21013641357422
INHA_MYCTU_1_269_0,5coq_B_rec.pdb,4u0k_nad_lig.sdf,28.32044219970703,-30.072250366210938,-64.63423156738281
INHA_MYCTU_1_269_0,2idz_A_rec.pdb,5cp8_nad_lig.sdf,28.348018646240234,-30.515188217163086,-65.09100341796875
INHA_MYCTU_1_269_0,2ied_D_rec.pdb,5jfo_6ka_lig.sdf,28.154613494873047,-29.963468551635742,-64.34052276611328
INHA_MYCTU_1_269_0,5mtr_A_rec.pdb,4uvh_uud_lig.sdf,28.032804489135742,-30.582839965820312,-65.39292907714844
INHA_MYCTU_1_269_0,4tro_A_rec.pdb,5mtq_nad_lig.sdf,28.052227020263672,-30.398582458496094,-65.02584838867188
INHA_MYCTU_1_269_0,2b37_C_rec.pdb,5g0t_s72_lig.sdf,28.187959671020508,-31.38755989074707,-65.21013641357422
INHA_MYCTU_1_269_0,2idz_A_rec.pdb,1enz_nad_lig.sdf,28.348018646240234,-30.515188217163086,-65.09100341796875
INHA_MYCTU_1_269_0,4oxk_D_rec.pdb,4uvi_nad_lig.sdf,28.075654983520508,-30.194698333740234,-65.04834747314453
INHA_MYCTU_1_269_0,5g0t_B_rec.pdb,4tro_nad_lig.sdf,28.65409278869629,-31.17104148864746,-65.23632049560547
INHA_MYCTU_1_269_0,2ied_D_rec.pdb,4qxm_nad_lig.sdf,28.154613494873047,-29.963468551635742,-64.34052276611328
INHA_MYCTU_1_269_0,2ied_D_rec.pdb,4bii_pyw_lig.sdf,28.154613494873047,-29.963468551635742,-64.34052276611328
INHA_MYCTU_1_269_0,1p45_A_rec.pdb,5cpf_nad_lig.sdf,28.25196647644043,-30.386672973632812,-65.03976440429688
INHA_MYCTU_1_269_0,5ugu_A_rec.pdb,2b36_nad_lig.sdf,28.058086395263672,-30.490148544311523,-65.22877502441406
INHA_MYCTU_1_269_0,4bge_B_rec.pdb,4bqr_ibh_lig.sdf,28.331815719604492,-30.807424545288086,-64.65174865722656
INHA_MYCTU_1_269_0,2aqk_A_rec.pdb,5jfo_nad_lig.sdf,28.34699821472168,-30.502897262573242,-65.0277328491211
INHA_MYCTU_1_269_0,1bvr_C_rec.pdb,2nsd_nad_lig.sdf,28.072824478149414,-30.42408561706543,-64.55133819580078
INHA_MYCTU_1_269_0,4r9r_C_rec.pdb,3fnh_nad_lig.sdf,28.080448150634766,-30.374740600585938,-65.00587463378906
INHA_MYCTU_1_269_0,5g0w_B_rec.pdb,4oxy_1tn_lig.sdf,28.046112060546875,-30.144262313842773,-65.08064270019531
INHA_MYCTU_1_269_0,2ied_D_rec.pdb,4uve_nad_lig.sdf,28.154613494873047,-29.963468551635742,-64.34052276611328
INHA_MYCTU_1_269_0,5g0u_A_rec.pdb,5g0s_eeh_lig.sdf,27.862171173095703,-30.560686111450195,-64.9152603149414
INHA_MYCTU_1_269_0,4uve_A_rec.pdb,5g0u_9cv_lig.sdf,28.059419631958008,-30.113361358642578,-64.85406494140625
INHA_MYCTU_1_269_0,4oyr_B_rec.pdb,5cpf_53k_lig.sdf,27.78112030029297,-30.454814910888672,-65.13323211669922
INHA_MYCTU_1_269_0,5mtq_E_rec.pdb,3fng_nad_lig.sdf,27.98781967163086,-30.59908103942871,-65.35021209716797
INHA_MYCTU_1_269_0,1enz_A_rec.pdb,4uvh_nad_lig.sdf,28.308349609375,-29.990158081054688,-64.90560913085938
INHA_MYCTU_1_269_0,5g0t_B_rec.pdb,1bvr_nad_lig.sdf,28.65409278869629,-31.17104148864746,-65.23632049560547
INHA_MYCTU_1_269_0,3fng_A_rec.pdb,5mtq_xt3_lig.sdf,28.433170318603516,-30.081567764282227,-65.07551574707031
INHA_MYCTU_1_269_0,4trn_A_rec.pdb,3fne_8pc_lig.sdf,28.13741683959961,-30.32933235168457,-65.37334442138672
INHA_MYCTU_1_269_0,4r9r_C_rec.pdb,5ugu_xtv_lig.sdf,28.080448150634766,-30.374740600585938,-65.00587463378906
INHA_MYCTU_1_269_0,4uvh_B_rec.pdb,1p45_tcl_lig.sdf,28.578384399414062,-31.21518898010254,-65.29328155517578
INHA_MYCTU_1_269_0,4uvi_B_rec.pdb,4oim_nad_lig.sdf,28.19679832458496,-30.52086639404297,-65.33670806884766
INHA_MYCTU_1_269_0,4d0s_C_rec.pdb,2b37_8ps_lig.sdf,28.574745178222656,-31.239835739135742,-65.29495239257812
INHA_MYCTU_1_269_0,4uvh_B_rec.pdb,5g0w_9nu_lig.sdf,28.578384399414062,-31.21518898010254,-65.29328155517578
INHA_MYCTU_1_269_0,5cp8_A_rec.pdb,2b37_nad_lig.sdf,28.0135498046875,-29.83150291442871,-64.98130798339844
INHA_MYCTU_1_269_0,5mtq_E_rec.pdb,4oxn_2nv_lig.sdf,27.98781967163086,-30.59908103942871,-65.35021209716797
INHA_MYCTU_1_269_0,4r9r_C_rec.pdb,4uvd_hrw_lig.sdf,28.080448150634766,-30.374740600585938,-65.00587463378906
INHA_MYCTU_1_269_0,5ugu_A_rec.pdb,4bqr_nad_lig.sdf,28.058086395263672,-30.490148544311523,-65.22877502441406
INHA_MYCTU_1_269_0,4oxn_B_rec.pdb,4tzk_nad_lig.sdf,28.13347053527832,-30.516735076904297,-64.66314697265625
INHA_MYCTU_1_269_0,1p45_A_rec.pdb,4r9r_3kx_lig.sdf,28.25196647644043,-30.386672973632812,-65.03976440429688
INHA_MYCTU_1_269_0,1p44_A_rec.pdb,4bqp_nad_lig.sdf,27.937030792236328,-30.09098243713379,-64.8864974975586
INHA_MYCTU_1_269_0,3fne_A_rec.pdb,4uvg_nad_lig.sdf,28.30437660217285,-30.058576583862305,-65.11675262451172
INHA_MYCTU_1_269_0,4oim_A_rec.pdb,5cp8_ete_lig.sdf,28.648399353027344,-29.978464126586914,-64.49762725830078
INHA_MYCTU_1_269_0,2b36_A_rec.pdb,1p45_nad_lig.sdf,28.138029098510742,-30.4558048248291,-65.01815032958984
INHA_MYCTU_1_269_0,2pr2_A_rec.pdb,4oxk_nad_lig.sdf,28.12608528137207,-30.261167526245117,-65.14616394042969
INHA_MYCTU_1_269_0,4uvi_B_rec.pdb,2aq8_nai_lig.sdf,28.19679832458496,-30.52086639404297,-65.33670806884766
INHA_MYCTU_1_269_0,5mtq_E_rec.pdb,4d0r_nad_lig.sdf,27.98781967163086,-30.59908103942871,-65.35021209716797
INHA_MYCTU_1_269_0,4u0j_A_rec.pdb,4uvg_a0c_lig.sdf,28.228866577148438,-30.5307559967041,-65.24445343017578
INHA_MYCTU_1_269_0,5cp8_A_rec.pdb,4r9r_nad_lig.sdf,28.0135498046875,-29.83150291442871,-64.98130798339844
INHA_MYCTU_1_269_0,4bqp_A_rec.pdb,5coq_tcu_lig.sdf,28.257963180541992,-30.680957794189453,-65.07870483398438
INHA_MYCTU_1_269_0,1p45_A_rec.pdb,4d0s_9g4_lig.sdf,28.25196647644043,-30.386672973632812,-65.03976440429688
INHA_MYCTU_1_269_0,5cp8_A_rec.pdb,5ugs_nad_lig.sdf,28.0135498046875,-29.83150291442871,-64.98130798339844
INHA_MYCTU_1_269_0,4d0s_C_rec.pdb,4trj_665_lig.sdf,28.574745178222656,-31.239835739135742,-65.29495239257812
INHA_MYCTU_1_269_0,2ntv_A_rec.pdb,5mtr_xt0_lig.sdf,28.092618942260742,-30.155517578125,-64.85608673095703
INHA_MYCTU_1_269_0,4trn_A_rec.pdb,4ohu_nad_lig.sdf,28.13741683959961,-30.32933235168457,-65.37334442138672
INHA_MYCTU_1_269_0,4cod_D_rec.pdb,4dqu_nai_lig.sdf,28.047256469726562,-30.367341995239258,-65.30394744873047
INHA_MYCTU_1_269_0,4r9r_C_rec.pdb,2aqh_nai_lig.sdf,28.080448150634766,-30.374740600585938,-65.00587463378906
INHA_MYCTU_1_269_0,1p45_A_rec.pdb,4uvi_kxu_lig.sdf,28.25196647644043,-30.386672973632812,-65.03976440429688
INHA_MYCTU_1_269_0,4dqu_A_rec.pdb,5g0w_nad_lig.sdf,28.16503143310547,-30.324312210083008,-65.36598205566406
INHA_MYCTU_1_269_0,5g0t_B_rec.pdb,3fnh_jpj_lig.sdf,28.65409278869629,-31.17104148864746,-65.23632049560547
INHA_MYCTU_1_269_0,4tro_A_rec.pdb,4oyr_1us_lig.sdf,28.052227020263672,-30.398582458496094,-65.02584838867188
INHA_MYCTU_1_269_0,1p44_A_rec.pdb,3fne_nad_lig.sdf,27.937030792236328,-30.09098243713379,-64.8864974975586
INHA_MYCTU_1_269_0,5g0w_B_rec.pdb,5ugt_nad_lig.sdf,28.046112060546875,-30.144262313842773,-65.08064270019531
INHA_MYCTU_1_269_0,1p45_A_rec.pdb,4trn_nad_lig.sdf,28.25196647644043,-30.386672973632812,-65.03976440429688
INHA_MYCTU_1_269_0,2nsd_A_rec.pdb,2h9i_ead_lig.sdf,28.343141555786133,-30.18990707397461,-64.74027252197266
INHA_MYCTU_1_269_0,4bqr_A_rec.pdb,5ugu_nad_lig.sdf,27.949277877807617,-30.22617530822754,-64.87532043457031
INHA_MYCTU_1_269_0,5ugu_A_rec.pdb,4cod_nad_lig.sdf,28.058086395263672,-30.490148544311523,-65.22877502441406
INHA_MYCTU_1_269_0,4d0r_A_rec.pdb,4d0s_nad_lig.sdf,28.351871490478516,-30.31199836730957,-65.11304473876953
INHA_MYCTU_1_269_0,4bii_A_rec.pdb,4oxy_nad_lig.sdf,28.53327178955078,-31.37579345703125,-64.46800994873047
INHA_MYCTU_1_269_0,2idz_A_rec.pdb,4oxk_1s5_lig.sdf,28.348018646240234,-30.515188217163086,-65.09100341796875
INHA_MYCTU_1_269_0,2ie0_A_rec.pdb,2nv6_zid_lig.sdf,28.370393753051758,-30.491003036499023,-64.94629669189453
INHA_MYCTU_1_269_0,2ie0_A_rec.pdb,1bvr_tht_lig.sdf,28.370393753051758,-30.491003036499023,-64.94629669189453
INHA_MYCTU_1_269_0,4uvd_A_rec.pdb,2idz_zid_lig.sdf,28.046552658081055,-30.110692977905273,-64.85838317871094
INHA_MYCTU_1_269_0,4dqu_A_rec.pdb,4d0r_41i_lig.sdf,28.16503143310547,-30.324312210083008,-65.36598205566406
INHA_MYCTU_1_269_0,5ugs_A_rec.pdb,4qxm_713_lig.sdf,27.778980255126953,-30.20368003845215,-65.56484985351562
INHA_MYCTU_1_269_0,4d0s_C_rec.pdb,4uvd_nad_lig.sdf,28.574745178222656,-31.239835739135742,-65.29495239257812
INHA_MYCTU_1_269_0,3fne_A_rec.pdb,4oim_jus_lig.sdf,28.30437660217285,-30.058576583862305,-65.11675262451172
INHA_MYCTU_1_269_0,2b36_A_rec.pdb,4trj_nad_lig.sdf,28.138029098510742,-30.4558048248291,-65.01815032958984
INHA_MYCTU_1_269_0,4oxk_D_rec.pdb,4tzt_468_lig.sdf,28.075654983520508,-30.194698333740234,-65.04834747314453
INHA_MYCTU_1_269_0,5g0t_B_rec.pdb,4bge_pyw_lig.sdf,28.65409278869629,-31.17104148864746,-65.23632049560547
INHA_MYCTU_1_269_0,1enz_A_rec.pdb,5mtr_nad_lig.sdf,28.308349609375,-29.990158081054688,-64.90560913085938
INHA_MYCTU_1_269_0,5mtr_A_rec.pdb,5mtp_53k_lig.sdf,28.032804489135742,-30.582839965820312,-65.39292907714844
INHA_MYCTU_1_269_0,5g0w_B_rec.pdb,5g0s_nad_lig.sdf,28.046112060546875,-30.144262313842773,-65.08064270019531
INHA_MYCTU_1_269_0,4trm_A_rec.pdb,5ugs_xt5_lig.sdf,28.593975067138672,-31.37697982788086,-63.68692398071289
INHA_MYCTU_1_269_0,3fne_A_rec.pdb,4bgi_i4i_lig.sdf,28.30437660217285,-30.058576583862305,-65.11675262451172
INHA_MYCTU_1_269_0,4bge_B_rec.pdb,4bqp_vmy_lig.sdf,28.331815719604492,-30.807424545288086,-64.65174865722656
INHA_MYCTU_1_269_0,4tzt_A_rec.pdb,4u0j_nad_lig.sdf,28.198856353759766,-30.503368377685547,-65.23062133789062
INHA_MYCTU_1_269_0,1p44_A_rec.pdb,5ugt_xtw_lig.sdf,27.937030792236328,-30.09098243713379,-64.8864974975586
INHA_MYCTU_1_269_0,2aqh_A_rec.pdb,2ntv_p1h_lig.sdf,28.47285270690918,-30.589019775390625,-64.92381286621094
INHA_MYCTU_1_269_0,4uve_A_rec.pdb,5g0v_jdd_lig.sdf,28.059419631958008,-30.113361358642578,-64.85406494140625
INHA_MYCTU_1_269_0,1p45_A_rec.pdb,4uve_ki5_lig.sdf,28.25196647644043,-30.386672973632812,-65.03976440429688
INHA_MYCTU_1_269_0,2pr2_A_rec.pdb,2ie0_zid_lig.sdf,28.12608528137207,-30.261167526245117,-65.14616394042969
INHA_MYCTU_1_269_0,2b36_A_rec.pdb,1p44_nad_lig.sdf,28.138029098510742,-30.4558048248291,-65.01815032958984
INHA_MYCTU_1_269_0,2h9i_A_rec.pdb,4tzt_nad_lig.sdf,28.085966110229492,-30.257152557373047,-65.11112213134766
INHA_MYCTU_1_269_0,5jfo_C_rec.pdb,5g0u_nad_lig.sdf,27.905168533325195,-30.368600845336914,-65.02838134765625
INHA_MYCTU_1_269_0,5jfo_C_rec.pdb,5coq_nad_lig.sdf,27.905168533325195,-30.368600845336914,-65.02838134765625
INHA_MYCTU_1_269_0,4uve_A_rec.pdb,4u0j_566_lig.sdf,28.059419631958008,-30.113361358642578,-64.85406494140625
INHA_MYCTU_1_269_0,4oim_A_rec.pdb,1p44_geq_lig.sdf,28.648399353027344,-29.978464126586914,-64.49762725830078
INHA_MYCTU_1_269_0,5mtq_E_rec.pdb,2nsd_4pi_lig.sdf,27.98781967163086,-30.59908103942871,-65.35021209716797
INHA_MYCTU_1_269_0,1bvr_C_rec.pdb,5cp8_tcu_lig.sdf,28.072824478149414,-30.42408561706543,-64.55133819580078
INHA_MYCTU_1_269_0,4oxk_D_rec.pdb,2b36_5pp_lig.sdf,28.075654983520508,-30.194698333740234,-65.04834747314453
INHA_MYCTU_1_269_0,2aqk_A_rec.pdb,5g0v_nad_lig.sdf,28.34699821472168,-30.502897262573242,-65.0277328491211
INHA_MYCTU_1_269_0,4r9s_E_rec.pdb,2ntj_p1h_lig.sdf,28.093809127807617,-30.573509216308594,-65.46336364746094
INHA_MYCTU_1_269_0,5ugs_A_rec.pdb,4r9s_nad_lig.sdf,27.778980255126953,-30.20368003845215,-65.56484985351562
INHA_MYCTU_1_269_0,4tzt_A_rec.pdb,4cod_kv1_lig.sdf,28.198856353759766,-30.503368377685547,-65.23062133789062
INHA_MYCTU_1_269_0,4d0r_A_rec.pdb,4u0k_744_lig.sdf,28.351871490478516,-30.31199836730957,-65.11304473876953
INHA_MYCTU_1_269_0,1bvr_C_rec.pdb,3fnf_jpm_lig.sdf,28.072824478149414,-30.42408561706543,-64.55133819580078
INHA_MYCTU_1_269_0,5mtq_E_rec.pdb,2x23_tcu_lig.sdf,27.98781967163086,-30.59908103942871,-65.35021209716797
INHA_MYCTU_1_269_0,5ugs_A_rec.pdb,4oyr_nad_lig.sdf,27.778980255126953,-30.20368003845215,-65.56484985351562
INHA_MYCTU_1_269_0,4bqp_A_rec.pdb,2pr2_dg1_lig.sdf,28.257963180541992,-30.680957794189453,-65.07870483398438
INHA_MYCTU_1_269_0,4bii_A_rec.pdb,4r9s_3ky_lig.sdf,28.53327178955078,-31.37579345703125,-64.46800994873047
INHA_MYCTU_1_269_0,4d0s_C_rec.pdb,5mtp_nad_lig.sdf,28.574745178222656,-31.239835739135742,-65.29495239257812
INHA_MYCTU_1_269_0,3fne_A_rec.pdb,3fnf_nad_lig.sdf,28.30437660217285,-30.058576583862305,-65.11675262451172
GABR_BACSU_108_477_0,4mgr_A_rec.pdb,5t4k_76u_lig.sdf,-23.890201568603516,-11.056999206542969,10.220048904418945
CP2C9_HUMAN_20_490_catalytic_0,5x24_A_rec.pdb,5w0c_9w6_lig.sdf,27.123960494995117,12.173245429992676,25.430883407592773
CP2C9_HUMAN_20_490_catalytic_0,1og2_A_rec.pdb,1r9o_flp_lig.sdf,27.14470100402832,12.416105270385742,25.32810401916504
CP2C9_HUMAN_20_490_catalytic_0,5x23_A_rec.pdb,1og5_swf_lig.sdf,26.900121688842773,12.519021034240723,25.655349731445312
CP2C9_HUMAN_20_490_catalytic_0,1og2_A_rec.pdb,5a5i_xi1_lig.sdf,27.14470100402832,12.416105270385742,25.32810401916504
CP2C9_HUMAN_20_490_catalytic_0,5a5j_A_rec.pdb,4nz2_2qj_lig.sdf,27.738191604614258,13.204436302185059,25.505111694335938
CP2C9_HUMAN_20_490_catalytic_0,5a5j_A_rec.pdb,5k7k_6rj_lig.sdf,27.738191604614258,13.204436302185059,25.505111694335938
CP2C9_HUMAN_20_490_catalytic_0,5a5i_A_rec.pdb,5x23_lsn_lig.sdf,27.370304107666016,12.834792137145996,25.939556121826172
CP2C9_HUMAN_20_490_catalytic_0,5x24_A_rec.pdb,5xxi_lsn_lig.sdf,27.123960494995117,12.173245429992676,25.430883407592773
CP2C9_HUMAN_20_490_catalytic_0,5a5i_A_rec.pdb,5x24_lsn_lig.sdf,27.370304107666016,12.834792137145996,25.939556121826172
CP2C9_HUMAN_20_490_catalytic_0,5x23_A_rec.pdb,5a5j_6yf_lig.sdf,26.900121688842773,12.519021034240723,25.655349731445312
CYB2_YEAST_181_591_0,1szf_A_rec.pdb,1kbi_fmn_lig.sdf,66.70819854736328,57.134368896484375,0.4364285469055176
CYB2_YEAST_181_591_0,1kbj_A_rec.pdb,1lco_fmn_lig.sdf,66.61227416992188,57.372684478759766,0.29568547010421753
CYB2_YEAST_181_591_0,1ldc_A_rec.pdb,1sze_173_lig.sdf,66.83415985107422,56.96752166748047,0.71278977394104
CYB2_YEAST_181_591_0,1ltd_A_rec.pdb,1ldc_fmn_lig.sdf,66.82154083251953,56.769325256347656,0.5378915667533875
CYB2_YEAST_181_591_0,1ltd_A_rec.pdb,1kbj_fmn_lig.sdf,66.82154083251953,56.769325256347656,0.5378915667533875
CYB2_YEAST_181_591_0,2oz0_A_rec.pdb,1sze_fmn_lig.sdf,66.7681884765625,56.85159683227539,0.42981067299842834
CYB2_YEAST_181_591_0,1qcw_A_rec.pdb,1fcb_fmn_lig.sdf,66.87311553955078,57.30979537963867,0.25337138772010803
CYB2_YEAST_181_591_0,1fcb_B_rec.pdb,1szf_fmn_lig.sdf,66.46420288085938,57.41097640991211,-0.18164706230163574
CYB2_YEAST_181_591_0,1kbj_A_rec.pdb,2oz0_fmn_lig.sdf,66.61227416992188,57.372684478759766,0.29568547010421753
CYB2_YEAST_181_591_0,1fcb_B_rec.pdb,1szg_fns_lig.sdf,66.46420288085938,57.41097640991211,-0.18164706230163574
CYB2_YEAST_181_591_0,1szf_A_rec.pdb,1ldc_pyr_lig.sdf,66.70819854736328,57.134368896484375,0.4364285469055176
CYB2_YEAST_181_591_0,1ltd_A_rec.pdb,1lco_ppy_lig.sdf,66.82154083251953,56.769325256347656,0.5378915667533875
CYB2_YEAST_181_591_0,1kbj_A_rec.pdb,1fcb_pyr_lig.sdf,66.61227416992188,57.372684478759766,0.29568547010421753
CYB2_YEAST_181_591_0,1szg_A_rec.pdb,1qcw_fns_lig.sdf,66.966552734375,57.08683776855469,0.29799991846084595
CYB2_YEAST_181_591_0,1fcb_B_rec.pdb,2oz0_pyr_lig.sdf,66.46420288085938,57.41097640991211,-0.18164706230163574
CYB2_YEAST_181_591_0,1kbj_A_rec.pdb,1szf_pyr_lig.sdf,66.61227416992188,57.372684478759766,0.29568547010421753
HOD_PAENT_1_276_0,2wj6_A_rec.pdb,2wj4_hqd_lig.sdf,6.431210994720459,74.9435806274414,21.60673713684082
HOD_PAENT_1_276_0,2wj6_A_rec.pdb,4cfs_hqd_lig.sdf,6.431210994720459,74.9435806274414,21.60673713684082
HOD_PAENT_1_276_0,2wj3_A_rec.pdb,2wj6_zz8_lig.sdf,6.384578704833984,74.98162841796875,21.595474243164062
MIF_HUMAN_2_115_0,4gum_B_rec.pdb,4gru_dio_lig.sdf,39.53042221069336,24.450315475463867,32.13241958618164
ISPS_POPCN_51_595_0,3n0f_A_rec.pdb,3n0g_dst_lig.sdf,48.23446273803711,19.420000076293945,42.797603607177734
CHIA1_ASPFM_28_337_0,2xvp_A_rec.pdb,2xtk_azm_lig.sdf,-10.946500778198242,47.048641204833984,50.83885955810547
CHIA1_ASPFM_28_337_0,2xtk_B_rec.pdb,2xvn_kls_lig.sdf,-10.929929733276367,47.09942626953125,50.85306930541992
FABI_STAAR_1_256_0,4d44_A_rec.pdb,4cuz_aew_lig.sdf,-15.27803897857666,1.0413076877593994,26.56607437133789
FABI_STAAR_1_256_0,4nz9_B_rec.pdb,4d42_w0i_lig.sdf,-15.262216567993164,0.6151738166809082,27.04378318786621
FABI_STAAR_1_256_0,4d44_A_rec.pdb,4bnl_w1g_lig.sdf,-15.27803897857666,1.0413076877593994,26.56607437133789
FABI_STAAR_1_256_0,4alm_A_rec.pdb,4bnf_pv4_lig.sdf,-14.837045669555664,-1.020727276802063,27.067955017089844
FABI_STAAR_1_256_0,4nz9_B_rec.pdb,4d41_ja1_lig.sdf,-15.262216567993164,0.6151738166809082,27.04378318786621
FABI_STAAR_1_256_0,4cv1_A_rec.pdb,4bnj_mj5_lig.sdf,-14.904637336730957,0.27676013112068176,26.678001403808594
FABI_STAAR_1_256_0,4bnj_A_rec.pdb,4fs3_0we_lig.sdf,-14.967517852783203,0.8922592997550964,26.409852981567383
FABI_STAAR_1_256_0,4bnm_A_rec.pdb,4bnh_6pn_lig.sdf,-14.880422592163086,0.6796925067901611,26.60684585571289
FABI_STAAR_1_256_0,4ali_A_rec.pdb,4bnk_fpl_lig.sdf,-15.074837684631348,0.7360400557518005,26.86380386352539
FABI_STAAR_1_256_0,4d42_A_rec.pdb,4alj_ch8_lig.sdf,-14.996925354003906,0.9018147587776184,26.399850845336914
FABI_STAAR_1_256_0,4bnj_A_rec.pdb,4cv1_pt6_lig.sdf,-14.967517852783203,0.8922592997550964,26.409852981567383
FABI_STAAR_1_256_0,4bnh_A_rec.pdb,4alk_e9p_lig.sdf,-15.011924743652344,0.9121851325035095,26.398969650268555
FABI_STAAR_1_256_0,4bnl_A_rec.pdb,4bnm_tcu_lig.sdf,-15.247461318969727,1.0404614210128784,26.545114517211914
FABI_STAAR_1_256_0,4d45_A_rec.pdb,4bng_5pp_lig.sdf,-15.086280822753906,0.7697600722312927,26.856760025024414
FABI_STAAR_1_256_0,4ali_A_rec.pdb,4bnn_jus_lig.sdf,-15.074837684631348,0.7360400557518005,26.86380386352539
FABI_STAAR_1_256_0,4bnk_B_rec.pdb,4d45_j47_lig.sdf,-15.192036628723145,1.0308462381362915,26.55088233947754
FABI_STAAR_1_256_0,4d45_A_rec.pdb,4d43_9w7_lig.sdf,-15.086280822753906,0.7697600722312927,26.856760025024414
FABI_STAAR_1_256_0,4cv1_A_rec.pdb,4ali_tcl_lig.sdf,-14.904637336730957,0.27676013112068176,26.678001403808594
FABI_STAAR_1_256_0,4d45_A_rec.pdb,4bni_p1f_lig.sdf,-15.086280822753906,0.7697600722312927,26.856760025024414
FABI_STAAR_1_256_0,4bnm_A_rec.pdb,4d44_ja3_lig.sdf,-14.880422592163086,0.6796925067901611,26.60684585571289
NAR2B_RAT_21_246_0,1gxy_A_rec.pdb,1og4_nai_lig.sdf,54.75910949707031,24.133275985717773,23.581621170043945
NAR2B_RAT_21_246_0,1og1_A_rec.pdb,1gxz_brt_lig.sdf,54.841793060302734,24.595966339111328,24.249448776245117
NAR2B_RAT_21_246_0,1og4_A_rec.pdb,1og1_tad_lig.sdf,54.82524108886719,24.59306526184082,24.275209426879883
NAR2B_RAT_21_246_0,1og1_A_rec.pdb,1og3_nad_lig.sdf,54.841793060302734,24.595966339111328,24.249448776245117
FUMC_ECOLI_1_467_0,1fur_B_rec.pdb,1fup_pma_lig.sdf,88.58958435058594,158.016357421875,44.5344123840332
GAPN_STRMU_1_475_0,1qi6_A_rec.pdb,2qe0_g3h_lig.sdf,17.31757164001465,132.89649963378906,1.199285626411438
GAPN_STRMU_1_475_0,1qi6_A_rec.pdb,1qi1_g3p_lig.sdf,17.31757164001465,132.89649963378906,1.199285626411438
GAPN_STRMU_1_475_0,2qe0_B_rec.pdb,1qi1_g3h_lig.sdf,17.96000099182129,133.6417999267578,0.8930714726448059
ODBB_THET8_1_324_0,1umb_D_rec.pdb,1umc_4mv_lig.sdf,36.58758544921875,32.20738220214844,58.17490768432617
ODBB_THET8_1_324_0,1umc_D_rec.pdb,1umb_tdp_lig.sdf,36.64954376220703,32.35260009765625,57.84345245361328
ODBB_THET8_1_324_0,1umb_D_rec.pdb,1umc_tdp_lig.sdf,36.58758544921875,32.20738220214844,58.17490768432617
LKHA4_YEAST_40_671_0,2xpy_A_rec.pdb,2xq0_bes_lig.sdf,-22.329936981201172,-0.9518749713897705,14.169937133789062
SILD_PODPE_1_278_0,2bgk_A_rec.pdb,2bgl_naj_lig.sdf,7.500896453857422,11.063101768493652,18.290620803833008
NPC2_BOVIN_20_149_0,1nep_A_rec.pdb,2hka_c3s_lig.sdf,-22.73775863647461,-37.86552429199219,45.09791946411133
DDAH1_HUMAN_2_285_0,2ci6_A_rec.pdb,2jai_cir_lig.sdf,-2.248650074005127,-3.2186999320983887,17.110349655151367
DDAH1_HUMAN_2_285_0,2ci6_A_rec.pdb,2c6z_cir_lig.sdf,-2.248650074005127,-3.2186999320983887,17.110349655151367
DDAH1_HUMAN_2_285_0,2ci6_A_rec.pdb,2jaj_d20_lig.sdf,-2.248650074005127,-3.2186999320983887,17.110349655151367
HPDL_CLOSL_1_897_0,2y8n_A_rec.pdb,2yaj_4hp_lig.sdf,23.990951538085938,72.68958282470703,47.032630920410156
LDH_PLAFD_1_316_0,2a92_B_rec.pdb,1t2e_oxm_lig.sdf,30.91716957092285,18.261199951171875,10.08006477355957
LDH_PLAFD_1_316_0,2x8l_A_rec.pdb,1t2e_nai_lig.sdf,31.37516212463379,18.646697998046875,10.425046920776367
LDH_PLAFD_1_316_0,2aa3_B_rec.pdb,4b7u_bcn_lig.sdf,30.901735305786133,18.137065887451172,10.28136920928955
LDH_PLAFD_1_316_0,2x8l_A_rec.pdb,4plz_oxm_lig.sdf,31.37516212463379,18.646697998046875,10.425046920776367
LDH_PLAFD_1_316_0,4b7u_A_rec.pdb,4plz_nai_lig.sdf,30.941146850585938,19.020341873168945,10.278169631958008
ACTB_HUMAN_1_375_ATPsite_0,1d4x_A_rec.pdb,2hf3_adp_lig.sdf,13.438932418823242,5.469516754150391,15.336311340332031
ACTB_HUMAN_1_375_ATPsite_0,1nlv_A_rec.pdb,1d4x_atp_lig.sdf,13.407899856567383,5.277432918548584,15.201132774353027
ACTB_HUMAN_1_375_ATPsite_0,4efh_A_rec.pdb,1nlv_atp_lig.sdf,13.211812019348145,5.210625171661377,14.749529838562012
ACTB_HUMAN_1_375_ATPsite_0,1nlv_A_rec.pdb,2a5x_anp_lig.sdf,13.407899856567383,5.277432918548584,15.201132774353027
HSD_MYCTU_1_260_0,1nfr_D_rec.pdb,1nfq_aoi_lig.sdf,6.919133186340332,48.026329040527344,1.9659332036972046
KCSA_STRCO_83_123_0,2dwd_C_rec.pdb,1s5h_dga_lig.sdf,160.31900024414062,140.1078338623047,-32.619667053222656
KCSA_STRCO_83_123_0,2dwd_C_rec.pdb,5ebw_dga_lig.sdf,160.31900024414062,140.1078338623047,-32.619667053222656
KCSA_STRCO_83_123_0,2ih3_C_rec.pdb,1r3j_dga_lig.sdf,160.3264923095703,140.00050354003906,-32.57833480834961
KCSA_STRCO_83_123_0,1r3j_C_rec.pdb,2ih3_1em_lig.sdf,160.4313201904297,140.0206756591797,-32.4813346862793
TRPM7_MOUSE_1549_1828_0,1iaj_A_rec.pdb,1iah_adp_lig.sdf,56.538265228271484,48.76104736328125,56.426944732666016
TRPM7_MOUSE_1549_1828_0,1iah_A_rec.pdb,1ia9_anp_lig.sdf,57.28849792480469,47.13383102416992,56.70399856567383
GSTA3_CHICK_1_229_0,1vf1_A_rec.pdb,1vf3_gdn_lig.sdf,25.759521484375,11.78412914276123,34.72382736206055
GSTA3_CHICK_1_229_0,1vf3_A_rec.pdb,1vf2_gtx_lig.sdf,26.118040084838867,12.453718185424805,34.74223709106445
GSTA3_CHICK_1_229_0,1vf2_A_rec.pdb,1vf1_gsh_lig.sdf,25.6907958984375,11.60254192352295,35.01250076293945
FABI_BRANA_80_382_0,1eno_A_rec.pdb,1d7o_tcl_lig.sdf,22.216716766357422,45.6502571105957,5.352086067199707
FABI_BRANA_80_382_0,1cwu_B_rec.pdb,1d7o_nad_lig.sdf,21.763816833496094,45.802608489990234,3.9128148555755615
FABI_BRANA_80_382_0,1eno_A_rec.pdb,1cwu_nad_lig.sdf,22.216716766357422,45.6502571105957,5.352086067199707
FABI_BRANA_80_382_0,1cwu_B_rec.pdb,1eno_nad_lig.sdf,21.763816833496094,45.802608489990234,3.9128148555755615
BLA1_KLEPN_19_286_tazobactam2_0,1n9b_A_rec.pdb,4fcf_tau_lig.sdf,33.18799591064453,63.37321853637695,5.754912853240967
BHMT1_HUMAN_1_406_0,1umy_D_rec.pdb,1lt8_cbh_lig.sdf,28.14118766784668,11.421187400817871,-4.988812446594238
BHMT1_HUMAN_1_406_0,1umy_D_rec.pdb,4m3p_hcs_lig.sdf,28.14118766784668,11.421187400817871,-4.988812446594238
ERAP1_HUMAN_39_529_0,3qnf_B_rec.pdb,2yd0_bes_lig.sdf,8.624736785888672,72.20698547363281,21.69478988647461
ULAD_ECOLI_1_216_0,1so3_A_rec.pdb,1q6r_lx1_lig.sdf,41.74251937866211,7.738478183746338,13.10226058959961
ULAD_ECOLI_1_216_0,1kv8_A_rec.pdb,1xby_5rp_lig.sdf,41.91349792480469,7.987375259399414,12.874458312988281
ULAD_ECOLI_1_216_0,1so6_A_rec.pdb,1so5_tx4_lig.sdf,42.12812423706055,7.787998676300049,12.932292938232422
ULAD_ECOLI_1_216_0,1so6_A_rec.pdb,1q6l_tx4_lig.sdf,42.12812423706055,7.787998676300049,12.932292938232422
ULAD_ECOLI_1_216_0,1xbv_A_rec.pdb,1xbx_5rp_lig.sdf,41.3489990234375,8.19472599029541,12.440271377563477
ULAD_ECOLI_1_216_0,1kv8_A_rec.pdb,1xbz_lx1_lig.sdf,41.91349792480469,7.987375259399414,12.874458312988281
ULAD_ECOLI_1_216_0,1q6r_A_rec.pdb,1so3_tx4_lig.sdf,41.08679962158203,8.009284973144531,12.5875244140625
ULAD_ECOLI_1_216_0,1xbz_B_rec.pdb,1xbv_5rp_lig.sdf,41.69472885131836,7.512090682983398,12.738818168640137
ULAD_ECOLI_1_216_0,1xbx_B_rec.pdb,1so6_tx4_lig.sdf,41.05394744873047,8.142333984375,12.589191436767578
ULAD_ECOLI_1_216_0,1q6r_A_rec.pdb,1xbx_hms_lig.sdf,41.08679962158203,8.009284973144531,12.5875244140625
ULAD_ECOLI_1_216_0,1q6l_B_rec.pdb,1q6q_lxp_lig.sdf,41.71565628051758,7.875259876251221,12.995131492614746
ULAD_ECOLI_1_216_0,1kv8_A_rec.pdb,1kw1_lg6_lig.sdf,41.91349792480469,7.987375259399414,12.874458312988281
ULAD_ECOLI_1_216_0,1kv8_A_rec.pdb,1so4_tx4_lig.sdf,41.91349792480469,7.987375259399414,12.874458312988281
VRK2_HUMAN_12_335_0,2v62_B_rec.pdb,5uu1_7dz_lig.sdf,2.1382498741149902,-16.394100189208984,-12.231599807739258
PNAE_RAUSE_4_264_0,2wfl_A_rec.pdb,3gzj_evs_lig.sdf,-24.862350463867188,-2.0241003036499023,50.2245979309082
CYH2_HUMAN_53_252_0,1r8m_E_rec.pdb,4jxh_hrc_lig.sdf,26.35799789428711,10.436938285827637,56.23749542236328
CYH2_HUMAN_53_252_0,1r8m_E_rec.pdb,4jmo_jaf_lig.sdf,26.35799789428711,10.436938285827637,56.23749542236328
ODBA_THET8_1_367_0,1umd_A_rec.pdb,1umc_4mv_lig.sdf,36.661048889160156,32.55717468261719,58.10614013671875
ODBA_THET8_1_367_0,1umd_A_rec.pdb,1umb_tdp_lig.sdf,36.661048889160156,32.55717468261719,58.10614013671875
ODBA_THET8_1_367_0,1um9_A_rec.pdb,1umc_tdp_lig.sdf,37.59284591674805,32.72874069213867,58.625816345214844
PAL_ANAVT_15_565_0,3czo_B_rec.pdb,5ltm_hci_lig.sdf,-25.837352752685547,55.440120697021484,-24.741823196411133
THYX_PBCV1_1_216_0,2cfa_A_rec.pdb,4fzb_0vj_lig.sdf,21.178667068481445,4.31077766418457,-2.098222017288208
NDOB_PSEPU_1_449_0,4hm7_A_rec.pdb,4hm6_16q_lig.sdf,13.436588287353516,51.1167106628418,79.43647003173828
NDOB_PSEPU_1_449_0,4hm4_A_rec.pdb,4hkv_unu_lig.sdf,13.43270492553711,51.1148796081543,79.41952514648438
NDOB_PSEPU_1_449_0,4hm3_A_rec.pdb,1o7p_ndh_lig.sdf,12.923944473266602,51.63883972167969,79.63805389404297
NDOB_PSEPU_1_449_0,1o7w_A_rec.pdb,2hmn_an3_lig.sdf,13.397587776184082,51.10935592651367,79.38253021240234
NDOB_PSEPU_1_449_0,2hmn_A_rec.pdb,2hmo_3nt_lig.sdf,13.231165885925293,51.527217864990234,79.14205932617188
NDOB_PSEPU_1_449_0,2hmk_A_rec.pdb,1o7g_npy_lig.sdf,13.425704956054688,51.088531494140625,79.39642333984375
NDOB_PSEPU_1_449_0,2hmk_A_rec.pdb,4hm2_16m_lig.sdf,13.425704956054688,51.088531494140625,79.39642333984375
NDOB_PSEPU_1_449_0,4hm8_A_rec.pdb,4hm1_1on_lig.sdf,13.428705215454102,51.107826232910156,79.43148040771484
NDOB_PSEPU_1_449_0,2hmo_A_rec.pdb,4hm7_syn_lig.sdf,13.439764022827148,51.08893966674805,79.41735076904297
NDOB_PSEPU_1_449_0,4hjl_A_rec.pdb,4hm8_16r_lig.sdf,13.436235427856445,51.11958694458008,79.41712188720703
NDOB_PSEPU_1_449_0,4hkv_A_rec.pdb,4hm4_16n_lig.sdf,13.429471015930176,51.10658645629883,79.42387390136719
NDOB_PSEPU_1_449_0,1o7p_A_rec.pdb,2hmm_an3_lig.sdf,13.415529251098633,51.103057861328125,79.37628936767578
NDOB_PSEPU_1_449_0,4hm1_A_rec.pdb,1eg9_ind_lig.sdf,12.921442985534668,51.644775390625,79.64260864257812
NDOB_PSEPU_1_449_0,4hm7_A_rec.pdb,2hml_pey_lig.sdf,13.436588287353516,51.1167106628418,79.43647003173828
NDOB_PSEPU_1_449_0,2hmo_A_rec.pdb,2hmk_pey_lig.sdf,13.439764022827148,51.08893966674805,79.41735076904297
NDOB_PSEPU_1_449_0,1o7w_A_rec.pdb,4hm3_pyj_lig.sdf,13.397587776184082,51.10935592651367,79.38253021240234
NDOB_PSEPU_1_449_0,1eg9_A_rec.pdb,4hm0_iac_lig.sdf,13.419469833374023,51.08070755004883,79.3980712890625
NDOB_PSEPU_1_449_0,4hm4_A_rec.pdb,4hjl_15o_lig.sdf,13.43270492553711,51.1148796081543,79.41952514648438
GGPP1_ARATH_73_371_0,5e8l_A_rec.pdb,2j1p_grg_lig.sdf,5.928242206573486,20.48337745666504,5.34034538269043
FKB1A_HUMAN_2_108_0,1tco_C_rec.pdb,1a7x_fka_lig.sdf,4.20647668838501,1.8862855434417725,-3.9447617530822754
ST2B1_HUMAN_18_312_0,1q1z_A_rec.pdb,1q22_and_lig.sdf,14.018866539001465,15.147998809814453,28.07740020751953
ST2B1_HUMAN_18_312_0,1q1z_A_rec.pdb,1q20_plo_lig.sdf,14.018866539001465,15.147998809814453,28.07740020751953
APX1_PEA_2_250_ascorbate_0,2y6b_A_rec.pdb,2vcf_isz_lig.sdf,18.535999298095703,65.34054565429688,25.448728561401367
APX1_PEA_2_250_ascorbate_0,2vcf_X_rec.pdb,1oaf_asc_lig.sdf,17.837800979614258,64.72090148925781,25.82219886779785
VIBB_VIBCH_1_215_0,3tg2_A_rec.pdb,3tb4_bog_lig.sdf,36.45330810546875,-25.65804100036621,14.775422096252441
VIBB_VIBCH_1_215_0,3tb4_A_rec.pdb,3tg2_isc_lig.sdf,35.61000442504883,-26.028318405151367,14.475363731384277
CYPX_BACSU_1_405_0,3nc5_A_rec.pdb,3nc7_piy_lig.sdf,36.853694915771484,9.539300918579102,28.052499771118164
CYPX_BACSU_1_405_0,3nc7_B_rec.pdb,3nc6_piw_lig.sdf,37.26618194580078,7.6650004386901855,28.254911422729492
PCKG_MYCTU_2_606_0,4wpu_A_rec.pdb,4wiu_oxl_lig.sdf,20.992359161376953,-24.604787826538086,-1.7429287433624268
PCKG_MYCTU_2_606_0,4wie_A_rec.pdb,4wpu_pep_lig.sdf,20.76128578186035,-24.7348575592041,-2.5057854652404785
FZD8_HUMAN_28_151_0,1ijy_A_rec.pdb,4f0a_pam_lig.sdf,-23.51300048828125,-28.305500030517578,-6.961900234222412
LDT2_MYCTU_250_408_0,3tx4_B_rec.pdb,4gsu_dwz_lig.sdf,2.3803043365478516,8.34839153289795,57.0894889831543
LDT2_MYCTU_250_408_0,3u1p_B_rec.pdb,5e1g_t8g_lig.sdf,2.363304376602173,8.42052173614502,57.040611267089844
LEC1_ULEEU_1_243_0,1jxn_B_rec.pdb,1fx5_mrd_lig.sdf,20.444997787475586,5.255714416503906,56.50471115112305
LEC1_ULEEU_1_243_0,1fx5_A_rec.pdb,1jxn_mfu_lig.sdf,19.782228469848633,5.293846130371094,56.61107635498047
TRT14_ASPTN_2_142_0,5wqg_C_rec.pdb,5wqi_7x0_lig.sdf,149.94631958007812,38.25366973876953,43.2894287109375
TRT14_ASPTN_2_142_0,5wqg_C_rec.pdb,5wqh_7wx_lig.sdf,149.94631958007812,38.25366973876953,43.2894287109375
TRT14_ASPTN_2_142_0,5wqf_A_rec.pdb,5wqh_7wu_lig.sdf,149.7690887451172,38.21791076660156,43.0902214050293
TRT14_ASPTN_2_142_0,5wqh_D_rec.pdb,5wqg_7mi_lig.sdf,149.98077392578125,38.369476318359375,43.36366653442383
DYR_THEMA_2_169_0,1cz3_A_rec.pdb,1d1g_mtx_lig.sdf,9.951998710632324,46.64889907836914,50.206050872802734
PYRC_AQUAE_1_422_0,1xrt_A_rec.pdb,4bjh_dor_lig.sdf,-1.6166250705718994,-57.18137741088867,-27.143999099731445
CP21A_HUMAN_27_494_0,5vbu_A_rec.pdb,4y8w_str_lig.sdf,-34.63042068481445,7.23968505859375,31.33647346496582
CP21A_HUMAN_27_494_0,4y8w_C_rec.pdb,5vbu_3qz_lig.sdf,-34.75271987915039,6.742277145385742,31.209442138671875
PDXS_GEOKA_1_294_0,4wxy_A_rec.pdb,4wy0_r5p_lig.sdf,-52.51046371459961,-38.347862243652344,-26.202999114990234
CAR4_ARATH_1_176_0,5a4x_B_rec.pdb,5a50_pc_lig.sdf,3.8671250343322754,18.961376190185547,-31.48787498474121
DEOD1_VIBCH_1_241_0,1vhj_A_rec.pdb,1vhw_adn_lig.sdf,49.189002990722656,22.090002059936523,178.3229522705078
DEOD1_VIBCH_1_241_0,1vhj_A_rec.pdb,3of3_dih_lig.sdf,49.189002990722656,22.090002059936523,178.3229522705078
PURR_BACSU_1_285_0,1o57_C_rec.pdb,1p4a_pcp_lig.sdf,21.129667282104492,78.49029541015625,58.454280853271484
PPBI1_RAT_21_502_0,4kjd_A_rec.pdb,4kjg_4np_lig.sdf,7.960166931152344,-54.26616287231445,-9.125499725341797
DEOD_BACSU_2_233_0,4dan_A_rec.pdb,4d9h_adn_lig.sdf,-52.19076156616211,20.844942092895508,21.91688346862793
DEOD_BACSU_2_233_0,4da6_A_rec.pdb,4dao_ade_lig.sdf,-52.215118408203125,20.83799934387207,21.905235290527344
DEOD_BACSU_2_233_0,4dae_A_rec.pdb,4da0_gng_lig.sdf,-52.273006439208984,20.831233978271484,21.898056030273438
DEOD_BACSU_2_233_0,4dao_A_rec.pdb,4da7_ac2_lig.sdf,-52.13429260253906,20.8312931060791,21.872587203979492
DEOD_BACSU_2_233_0,4dan_A_rec.pdb,4dar_tbn_lig.sdf,-52.19076156616211,20.844942092895508,21.91688346862793
DEOD_BACSU_2_233_0,4dan_A_rec.pdb,4da8_bg2_lig.sdf,-52.19076156616211,20.844942092895508,21.91688346862793
DEOD_BACSU_2_233_0,4d98_B_rec.pdb,4dab_hpa_lig.sdf,-52.08066940307617,19.95222282409668,22.252723693847656
DEOD_BACSU_2_233_0,4da7_A_rec.pdb,4da6_ga2_lig.sdf,-52.21288299560547,20.788293838500977,21.91417694091797
DEOD_BACSU_2_233_0,4dab_A_rec.pdb,4dae_6cr_lig.sdf,-52.200233459472656,20.800941467285156,21.91664695739746
DEOD_BACSU_2_233_0,4da6_A_rec.pdb,4dan_2fa_lig.sdf,-52.215118408203125,20.83799934387207,21.905235290527344
TXL_EISFE_1_297_0,3zxd_D_rec.pdb,3zxg_0sm_lig.sdf,-10.821900367736816,-34.60329818725586,13.708300590515137
OBP2_BOMMO_20_160_0,2wch_A_rec.pdb,2wcm_b9m_lig.sdf,7.642375469207764,-2.4945833683013916,18.359750747680664
OBP2_BOMMO_20_160_0,2wcl_A_rec.pdb,2wc5_bom_lig.sdf,7.625291347503662,-2.483166456222534,18.356916427612305
OBP2_BOMMO_20_160_0,2wcj_A_rec.pdb,2wch_b7m_lig.sdf,7.626625061035156,-2.484708070755005,18.355792999267578
OBP2_BOMMO_20_160_0,2wck_A_rec.pdb,2wcl_b8m_lig.sdf,7.621208190917969,-2.5004165172576904,18.367582321166992
OBP2_BOMMO_20_160_0,2wch_A_rec.pdb,2wcj_m21_lig.sdf,7.642375469207764,-2.4945833683013916,18.359750747680664
URIC_ASPFL_2_302_catalytic_0,3ld4_A_rec.pdb,4pr8_urc_lig.sdf,31.843997955322266,26.65273666381836,37.73120880126953
URIC_ASPFL_2_302_catalytic_0,4cw6_A_rec.pdb,4cw3_xds_lig.sdf,31.830053329467773,26.696313858032227,37.735843658447266
URIC_ASPFL_2_302_catalytic_0,1ws2_A_rec.pdb,4cw0_mua_lig.sdf,32.22146987915039,27.195158004760742,37.60794448852539
URIC_ASPFL_2_302_catalytic_0,4cw6_A_rec.pdb,4cw3_mua_lig.sdf,31.830053329467773,26.696313858032227,37.735843658447266
URIC_ASPFL_2_302_catalytic_0,1ws3_B_rec.pdb,3l8w_xan_lig.sdf,32.24594497680664,27.176368713378906,37.597686767578125
URIC_ASPFL_2_302_catalytic_0,1wrr_A_rec.pdb,3ld4_8nx_lig.sdf,32.29694747924805,26.73061180114746,37.6022834777832
URIC_ASPFL_2_302_catalytic_0,4poe_A_rec.pdb,1ws2_urn_lig.sdf,31.821735382080078,26.625,37.6968994140625
URIC_ASPFL_2_302_catalytic_0,4n9s_A_rec.pdb,4d13_iup_lig.sdf,31.621665954589844,27.1655216217041,38.06185531616211
URIC_ASPFL_2_302_catalytic_0,2fxl_A_rec.pdb,4cw6_xds_lig.sdf,32.42252731323242,27.155048370361328,37.581417083740234
URIC_ASPFL_2_302_catalytic_0,2fxl_A_rec.pdb,3gko_aza_lig.sdf,32.42252731323242,27.155048370361328,37.581417083740234
URIC_ASPFL_2_302_catalytic_0,1ws2_A_rec.pdb,1ws3_ura_lig.sdf,32.22146987915039,27.195158004760742,37.60794448852539
URIC_ASPFL_2_302_catalytic_0,4pr8_A_rec.pdb,4cw2_xds_lig.sdf,31.584426879882812,27.202714920043945,38.03052520751953
URIC_ASPFL_2_302_catalytic_0,4cw3_A_rec.pdb,1wrr_unc_lig.sdf,31.826839447021484,26.6854190826416,37.727474212646484
URIC_ASPFL_2_302_catalytic_0,4n9v_A_rec.pdb,1xt4_gun_lig.sdf,31.4573974609375,26.878101348876953,38.088504791259766
URIC_ASPFL_2_302_catalytic_0,4cw3_A_rec.pdb,2fxl_2al_lig.sdf,31.826839447021484,26.6854190826416,37.727474212646484
URIC_ASPFL_2_302_catalytic_0,1ws3_B_rec.pdb,3lbg_8tx_lig.sdf,32.24594497680664,27.176368713378906,37.597686767578125
URIC_ASPFL_2_302_catalytic_0,4cw3_A_rec.pdb,1r4u_oxc_lig.sdf,31.826839447021484,26.6854190826416,37.727474212646484
URIC_ASPFL_2_302_catalytic_0,4d13_A_rec.pdb,4n9v_aza_lig.sdf,31.825054168701172,26.73284339904785,37.76831817626953
URIC_ASPFL_2_302_catalytic_0,4n9v_A_rec.pdb,4d17_iup_lig.sdf,31.4573974609375,26.878101348876953,38.088504791259766
MOS1T_DROMA_120_345_0,4mdb_A_rec.pdb,4mda_rlt_lig.sdf,21.413818359375,-7.525908946990967,7.8877272605896
MOS1T_DROMA_120_345_0,3hos_A_rec.pdb,4mdb_rlt_lig.sdf,22.17799949645996,-7.867583751678467,7.559083938598633
ASST_ECOL6_28_598_0,3ett_A_rec.pdb,3ets_4mu_lig.sdf,68.50614929199219,-10.875143051147461,-22.135286331176758
ASST_ECOL6_28_598_0,3ets_B_rec.pdb,4p06_mux_lig.sdf,68.50407409667969,-11.322539329528809,-22.221385955810547
ASST_ECOL6_28_598_0,4p06_A_rec.pdb,4p05_4ns_lig.sdf,68.49229431152344,-11.200499534606934,-21.136072158813477
ASST_ECOL6_28_598_0,4p06_A_rec.pdb,3ett_npo_lig.sdf,68.49229431152344,-11.200499534606934,-21.136072158813477
ACTPC_ACTFR_1_179_0,4tso_A_rec.pdb,4tsp_hxg_lig.sdf,-14.131999015808105,2.0964443683624268,9.69810962677002
ACTPC_ACTFR_1_179_0,3lim_A_rec.pdb,4tsy_hxj_lig.sdf,-13.919157028198242,2.039736747741699,9.611420631408691
ACTPC_ACTFR_1_179_0,4tsn_A_rec.pdb,4tsq_hxg_lig.sdf,-13.8788423538208,2.127157688140869,9.669316291809082
ACTPC_ACTFR_1_179_0,3w9p_B_rec.pdb,4tsn_pc_lig.sdf,-14.028401374816895,1.816849946975708,10.237349510192871
ACTPC_ACTFR_1_179_0,3w9p_B_rec.pdb,3lim_lda_lig.sdf,-14.028401374816895,1.816849946975708,10.237349510192871
ACTPC_ACTFR_1_179_0,4tsn_A_rec.pdb,4tso_hxg_lig.sdf,-13.8788423538208,2.127157688140869,9.669316291809082
FABI_PSEAE_1_265_0,4nqz_A_rec.pdb,4nr0_tcl_lig.sdf,27.84309196472168,2.9319090843200684,-16.161909103393555
COX2_RHOSH_27_282_0,2gsm_B_rec.pdb,3dtu_trd_lig.sdf,7.341666221618652,-41.301998138427734,-1.3858888149261475
DNRK_STRPE_3_355_0,5eeg_A_rec.pdb,4wxh_sah_lig.sdf,78.09645080566406,24.462759017944336,119.57305908203125
DNRK_STRPE_3_355_0,4wxh_B_rec.pdb,5eeg_s8m_lig.sdf,78.3189697265625,25.604019165039062,118.88362121582031
DNRK_STRPE_3_355_0,1tw3_A_rec.pdb,5jr3_sah_lig.sdf,78.30902099609375,25.349836349487305,118.9739761352539
DNRK_STRPE_3_355_0,1tw3_A_rec.pdb,4wxh_3vl_lig.sdf,78.30902099609375,25.349836349487305,118.9739761352539
DNRK_STRPE_3_355_0,4wxh_B_rec.pdb,5eeh_p9p_lig.sdf,78.3189697265625,25.604019165039062,118.88362121582031
DNRK_STRPE_3_355_0,5jr3_C_rec.pdb,1tw3_sah_lig.sdf,78.23893737792969,24.861478805541992,119.33378601074219
DNRK_STRPE_3_355_0,4wxh_B_rec.pdb,1tw3_ert_lig.sdf,78.3189697265625,25.604019165039062,118.88362121582031
DNRK_STRPE_3_355_0,4wxh_B_rec.pdb,5jr3_4mu_lig.sdf,78.3189697265625,25.604019165039062,118.88362121582031
DT3E_PSECI_1_290_0,4pgl_A_rec.pdb,5j8l_tgj_lig.sdf,8.069914817810059,-18.931175231933594,81.06922149658203
DT3E_PSECI_1_290_0,4ytq_A_rec.pdb,4pgl_sol_lig.sdf,8.117173194885254,-18.917957305908203,81.16248321533203
DT3E_PSECI_1_290_0,4pgl_A_rec.pdb,4xsm_tlz_lig.sdf,8.069914817810059,-18.931175231933594,81.06922149658203
DT3E_PSECI_1_290_0,4xsl_A_rec.pdb,2qum_tag_lig.sdf,8.075130462646484,-18.8996524810791,81.17195129394531
DT3E_PSECI_1_290_0,4pgl_A_rec.pdb,4yts_tgs_lig.sdf,8.069914817810059,-18.931175231933594,81.06922149658203
DT3E_PSECI_1_290_0,2qum_A_rec.pdb,4ytq_tgd_lig.sdf,8.149085998535156,-18.884523391723633,81.05200958251953
DT3E_PSECI_1_290_0,4xsm_A_rec.pdb,4pfh_fud_lig.sdf,8.112565040588379,-18.92647933959961,81.12382507324219
DT3E_PSECI_1_290_0,4pfh_B_rec.pdb,2qun_fud_lig.sdf,8.03681755065918,-18.88036346435547,80.84259033203125
DT3E_PSECI_1_290_0,4pfh_B_rec.pdb,4ytt_pud_lig.sdf,8.03681755065918,-18.88036346435547,80.84259033203125
DT3E_PSECI_1_290_0,4xsl_A_rec.pdb,4ytu_ler_lig.sdf,8.075130462646484,-18.8996524810791,81.17195129394531
NOS1_HUMAN_302_723_0,4ims_A_rec.pdb,4d7o_0gd_lig.sdf,6.034302234649658,1.8828375339508057,28.080305099487305
NOS1_HUMAN_302_723_0,3n5y_A_rec.pdb,5unt_h4b_lig.sdf,6.330043315887451,1.6442444324493408,28.05447006225586
NOS1_HUMAN_302_723_0,4imu_A_rec.pdb,4imt_h4b_lig.sdf,6.35823917388916,1.8452177047729492,28.303173065185547
NOS1_HUMAN_302_723_0,3nly_A_rec.pdb,1vag_h4b_lig.sdf,6.596999645233154,1.669226884841919,27.915271759033203
NOS1_HUMAN_302_723_0,4kcm_A_rec.pdb,3uft_h4b_lig.sdf,6.578364372253418,1.7259769439697266,27.983118057250977
NOS1_HUMAN_302_723_0,2hx4_A_rec.pdb,4ctt_s7k_lig.sdf,6.558159351348877,1.7519545555114746,27.95611000061035
NOS1_HUMAN_302_723_0,3ufo_A_rec.pdb,3n2r_h4b_lig.sdf,6.385255813598633,1.673418641090393,27.752910614013672
NOS1_HUMAN_302_723_0,4kck_A_rec.pdb,4ctt_h4b_lig.sdf,6.711902618408203,1.8207383155822754,28.404735565185547
NOS1_HUMAN_302_723_0,5vuk_A_rec.pdb,4imu_1et_lig.sdf,6.270595073699951,1.9169044494628906,28.0270938873291
NOS1_HUMAN_302_723_0,4kcj_A_rec.pdb,4jsj_qj7_lig.sdf,6.237452030181885,1.9129524230957031,28.192882537841797
NOS1_HUMAN_302_723_0,1vag_A_rec.pdb,3pnf_h4b_lig.sdf,6.480210304260254,1.7060004472732544,28.019678115844727
NOS1_HUMAN_302_723_0,4cao_A_rec.pdb,4v3x_h4b_lig.sdf,6.464348316192627,1.9742555618286133,28.194116592407227
NOS1_HUMAN_302_723_0,4imw_A_rec.pdb,4v3z_9hl_lig.sdf,6.492068767547607,2.2132728099823,28.38086700439453
NOS1_HUMAN_302_723_0,3uft_A_rec.pdb,3tyo_dxw_lig.sdf,6.628521919250488,1.8363633155822754,28.334070205688477
NOS1_HUMAN_302_723_0,4kch_A_rec.pdb,3tyo_h4b_lig.sdf,6.369068622589111,1.9776363372802734,28.513572692871094
NOS1_HUMAN_302_723_0,5vuk_A_rec.pdb,3svp_jk5_lig.sdf,6.270595073699951,1.9169044494628906,28.0270938873291
NOS1_HUMAN_302_723_0,4ctr_A_rec.pdb,4kcl_h4b_lig.sdf,6.354659557342529,1.9695682525634766,28.491273880004883
NOS1_HUMAN_302_723_0,3n2r_A_rec.pdb,4jsh_q15_lig.sdf,6.601091384887695,1.6997047662734985,27.982521057128906
NOS1_HUMAN_302_723_0,3rql_A_rec.pdb,4kcj_h4b_lig.sdf,6.14097785949707,1.8437610864639282,27.9482364654541
NOS1_HUMAN_302_723_0,3n5y_A_rec.pdb,3n5z_xfm_lig.sdf,6.330043315887451,1.6442444324493408,28.05447006225586
NOS1_HUMAN_302_723_0,3rqk_A_rec.pdb,3n5y_xfl_lig.sdf,6.628544807434082,1.6471365690231323,27.946683883666992
NOS1_HUMAN_302_723_0,4imt_A_rec.pdb,5ad4_h4b_lig.sdf,6.541162490844727,1.9543486833572388,28.167255401611328
NOS1_HUMAN_302_723_0,4kcj_A_rec.pdb,3b3p_h4b_lig.sdf,6.237452030181885,1.9129524230957031,28.192882537841797
NOS1_HUMAN_302_723_0,4imu_A_rec.pdb,3tyl_axw_lig.sdf,6.35823917388916,1.8452177047729492,28.303173065185547
NOS1_HUMAN_302_723_0,5vuk_A_rec.pdb,4v3y_h4b_lig.sdf,6.270595073699951,1.9169044494628906,28.0270938873291
NOS1_HUMAN_302_723_0,5vup_A_rec.pdb,4k5g_h4b_lig.sdf,6.607159614562988,1.7103408575057983,27.94611167907715
NOS1_HUMAN_302_723_0,4ctv_A_rec.pdb,3b3o_ji3_lig.sdf,6.52281379699707,1.8920934200286865,28.175003051757812
NOS1_HUMAN_302_723_0,4kcm_A_rec.pdb,5fvp_wos_lig.sdf,6.578364372253418,1.7259769439697266,27.983118057250977
NOS1_HUMAN_302_723_0,5vuk_A_rec.pdb,4ctr_h4b_lig.sdf,6.270595073699951,1.9169044494628906,28.0270938873291
NOS1_HUMAN_302_723_0,4kch_A_rec.pdb,3nny_59r_lig.sdf,6.369068622589111,1.9776363372802734,28.513572692871094
NOS1_HUMAN_302_723_0,4kco_A_rec.pdb,4d32_h4b_lig.sdf,6.3708600997924805,1.5496280193328857,28.000905990600586
NOS1_HUMAN_302_723_0,3tyo_A_rec.pdb,4caq_h4b_lig.sdf,6.587771415710449,1.7088408470153809,27.967954635620117
NOS1_HUMAN_302_723_0,3n5z_A_rec.pdb,3png_h4b_lig.sdf,6.621522426605225,1.6323180198669434,27.931795120239258
NOS1_HUMAN_302_723_0,4cao_A_rec.pdb,3ufr_h5w_lig.sdf,6.464348316192627,1.9742555618286133,28.194116592407227
NOS1_HUMAN_302_723_0,4uh2_A_rec.pdb,3ufw_h4b_lig.sdf,6.518742084503174,1.956070065498352,28.190465927124023
NOS1_HUMAN_302_723_0,3ufo_A_rec.pdb,5fvo_d8h_lig.sdf,6.385255813598633,1.673418641090393,27.752910614013672
NOS1_HUMAN_302_723_0,3ufs_A_rec.pdb,5fw0_h4b_lig.sdf,6.608705043792725,1.6944999694824219,27.94325065612793
NOS1_HUMAN_302_723_0,5ad6_A_rec.pdb,3rqk_x2c_lig.sdf,6.230167388916016,1.9229527711868286,28.025211334228516
NOS1_HUMAN_302_723_0,4kcm_A_rec.pdb,3pnf_8bx_lig.sdf,6.578364372253418,1.7259769439697266,27.983118057250977
NOS1_HUMAN_302_723_0,4v3x_A_rec.pdb,3svp_h4b_lig.sdf,6.515767574310303,1.9813952445983887,28.246252059936523
NOS1_HUMAN_302_723_0,4v3y_A_rec.pdb,4jsh_h4b_lig.sdf,6.534022808074951,1.9816741943359375,28.2274227142334
NOS1_HUMAN_302_723_0,4imw_A_rec.pdb,5vuk_h4b_lig.sdf,6.492068767547607,2.2132728099823,28.38086700439453
NOS1_HUMAN_302_723_0,4imu_A_rec.pdb,4v3w_h4b_lig.sdf,6.35823917388916,1.8452177047729492,28.303173065185547
NOS1_HUMAN_302_723_0,3b3o_A_rec.pdb,4kco_h4b_lig.sdf,6.662409782409668,1.6696133613586426,27.992290496826172
NOS1_HUMAN_302_723_0,4v3w_A_rec.pdb,3nlv_h4b_lig.sdf,6.610800743103027,1.8630667924880981,28.235382080078125
NOS1_HUMAN_302_723_0,4k5g_A_rec.pdb,3uft_hw7_lig.sdf,6.358957767486572,1.8480000495910645,28.36362648010254
NOS1_HUMAN_302_723_0,4v3x_A_rec.pdb,4v3w_e2z_lig.sdf,6.515767574310303,1.9813952445983887,28.246252059936523
NOS1_HUMAN_302_723_0,5unx_A_rec.pdb,3nny_h4b_lig.sdf,6.3537492752075195,1.9812953472137451,28.440454483032227
NOS1_HUMAN_302_723_0,3tym_A_rec.pdb,5ad6_h4b_lig.sdf,6.615137100219727,1.7017728090286255,27.953088760375977
NOS1_HUMAN_302_723_0,3n5v_A_rec.pdb,3nlz_h4b_lig.sdf,6.285691261291504,1.9140241146087646,28.046194076538086
NOS1_HUMAN_302_723_0,4ctv_A_rec.pdb,4d3b_h4b_lig.sdf,6.52281379699707,1.8920934200286865,28.175003051757812
NOS1_HUMAN_302_723_0,3ufr_A_rec.pdb,5unx_8f1_lig.sdf,6.485255718231201,1.9506044387817383,28.179397583007812
NOS1_HUMAN_302_723_0,3rqk_A_rec.pdb,4v3x_4e8_lig.sdf,6.628544807434082,1.6471365690231323,27.946683883666992
NOS1_HUMAN_302_723_0,3nm0_A_rec.pdb,4kcj_h36_lig.sdf,6.121821403503418,1.7152440547943115,28.368776321411133
NOS1_HUMAN_302_723_0,3pne_A_rec.pdb,3rqm_x2e_lig.sdf,6.401862621307373,1.759408950805664,28.206043243408203
NOS1_HUMAN_302_723_0,3nlw_A_rec.pdb,4v3v_s8f_lig.sdf,6.618454456329346,1.6765908002853394,27.98100471496582
NOS1_HUMAN_302_723_0,3pnf_A_rec.pdb,5unx_h4b_lig.sdf,6.328325271606445,1.8327171802520752,28.35715103149414
NOS1_HUMAN_302_723_0,3pnf_A_rec.pdb,5ad4_6m8_lig.sdf,6.328325271606445,1.8327171802520752,28.35715103149414
NOS1_HUMAN_302_723_0,3tyl_A_rec.pdb,4k5g_q13_lig.sdf,6.609500408172607,1.7164093255996704,27.965478897094727
NOS1_HUMAN_302_723_0,4k5g_A_rec.pdb,4jsj_h4b_lig.sdf,6.358957767486572,1.8480000495910645,28.36362648010254
NOS1_HUMAN_302_723_0,4ctt_A_rec.pdb,3pne_8ax_lig.sdf,6.417794704437256,1.9695910215377808,28.505338668823242
NOS1_HUMAN_302_723_0,4kch_A_rec.pdb,5vun_h4b_lig.sdf,6.369068622589111,1.9776363372802734,28.513572692871094
NOS1_HUMAN_302_723_0,4kci_A_rec.pdb,4kcn_5h3_lig.sdf,6.455804824829102,1.7811707258224487,27.975534439086914
NOS1_HUMAN_302_723_0,3ufq_A_rec.pdb,3tyl_h4b_lig.sdf,6.552432060241699,1.7439545392990112,27.955629348754883
NOS1_HUMAN_302_723_0,3tyo_A_rec.pdb,1vag_arr_lig.sdf,6.587771415710449,1.7088408470153809,27.967954635620117
NOS1_HUMAN_302_723_0,5vup_A_rec.pdb,3tyn_cxw_lig.sdf,6.607159614562988,1.7103408575057983,27.94611167907715
NOS1_HUMAN_302_723_0,4d3b_A_rec.pdb,4kco_5h4_lig.sdf,6.658182144165039,1.6473861932754517,27.95416259765625
NOS1_HUMAN_302_723_0,3nlz_A_rec.pdb,4d32_7f5_lig.sdf,6.126978397369385,1.7130669355392456,28.344663619995117
NOS1_HUMAN_302_723_0,4v3x_A_rec.pdb,4k5f_h4b_lig.sdf,6.515767574310303,1.9813952445983887,28.246252059936523
NOS1_HUMAN_302_723_0,3rqj_A_rec.pdb,4imt_1ew_lig.sdf,6.38493013381958,1.570697546005249,27.951513290405273
NOS1_HUMAN_302_723_0,4ctt_A_rec.pdb,5vup_h4b_lig.sdf,6.417794704437256,1.9695910215377808,28.505338668823242
NOS1_HUMAN_302_723_0,3nlz_A_rec.pdb,3ufs_hw6_lig.sdf,6.126978397369385,1.7130669355392456,28.344663619995117
NOS1_HUMAN_302_723_0,4kco_A_rec.pdb,3nly_3xc_lig.sdf,6.3708600997924805,1.5496280193328857,28.000905990600586
NOS1_HUMAN_302_723_0,4jsj_A_rec.pdb,4kck_h45_lig.sdf,6.612569808959961,1.7077727317810059,27.960386276245117
NOS1_HUMAN_302_723_0,5ad6_A_rec.pdb,5vuk_9p1_lig.sdf,6.230167388916016,1.9229527711868286,28.025211334228516
NOS1_HUMAN_302_723_0,3b3o_A_rec.pdb,4ctu_h4b_lig.sdf,6.662409782409668,1.6696133613586426,27.992290496826172
NOS1_HUMAN_302_723_0,3tyl_A_rec.pdb,4kcm_1qf_lig.sdf,6.609500408172607,1.7164093255996704,27.965478897094727
NOS1_HUMAN_302_723_0,4ctt_A_rec.pdb,5vus_9pm_lig.sdf,6.417794704437256,1.9695910215377808,28.505338668823242
NOS1_HUMAN_302_723_0,4kcj_A_rec.pdb,4kch_h4b_lig.sdf,6.237452030181885,1.9129524230957031,28.192882537841797
NOS1_HUMAN_302_723_0,1vag_A_rec.pdb,3pne_h4b_lig.sdf,6.480210304260254,1.7060004472732544,28.019678115844727
NOS1_HUMAN_302_723_0,3tyo_A_rec.pdb,4k5f_q14_lig.sdf,6.587771415710449,1.7088408470153809,27.967954635620117
NOS1_HUMAN_302_723_0,3nlw_A_rec.pdb,3rqk_h4b_lig.sdf,6.618454456329346,1.6765908002853394,27.98100471496582
NOS1_HUMAN_302_723_0,4kcj_A_rec.pdb,5unw_h4b_lig.sdf,6.237452030181885,1.9129524230957031,28.192882537841797
NOS1_HUMAN_302_723_0,3rqj_A_rec.pdb,3ufs_h4b_lig.sdf,6.38493013381958,1.570697546005249,27.951513290405273
NOS1_HUMAN_302_723_0,3ufw_A_rec.pdb,5vuo_9os_lig.sdf,6.535578727722168,1.6516001224517822,28.269115447998047
NOS1_HUMAN_302_723_0,5ad6_A_rec.pdb,3rql_h4b_lig.sdf,6.230167388916016,1.9229527711868286,28.025211334228516
NOS1_HUMAN_302_723_0,3tyn_A_rec.pdb,4ims_12s_lig.sdf,6.601114273071289,1.7094775438308716,27.944908142089844
NOS1_HUMAN_302_723_0,4v3y_A_rec.pdb,5vup_9p4_lig.sdf,6.534022808074951,1.9816741943359375,28.2274227142334
NOS1_HUMAN_302_723_0,4v3x_A_rec.pdb,4kci_h4b_lig.sdf,6.515767574310303,1.9813952445983887,28.246252059936523
NOS1_HUMAN_302_723_0,3nlw_A_rec.pdb,3b3o_h4b_lig.sdf,6.618454456329346,1.6765908002853394,27.98100471496582
NOS1_HUMAN_302_723_0,3png_A_rec.pdb,5unv_8j7_lig.sdf,6.182977676391602,1.725886583328247,27.797595977783203
NOS1_HUMAN_302_723_0,4kcl_A_rec.pdb,4cao_h4b_lig.sdf,6.358022212982178,1.5842556953430176,27.975282669067383
NOS1_HUMAN_302_723_0,4ctt_A_rec.pdb,4caq_m68_lig.sdf,6.417794704437256,1.9695910215377808,28.505338668823242
NOS1_HUMAN_302_723_0,4v3z_A_rec.pdb,3nm0_h4b_lig.sdf,6.54237174987793,1.9885812997817993,28.2123966217041
NOS1_HUMAN_302_723_0,5unw_A_rec.pdb,5vuo_h4b_lig.sdf,6.622766494750977,1.8502789735794067,28.6575870513916
NOS1_HUMAN_302_723_0,4d3b_A_rec.pdb,3tym_08r_lig.sdf,6.658182144165039,1.6473861932754517,27.95416259765625
NOS1_HUMAN_302_723_0,4ctu_A_rec.pdb,4imw_h4b_lig.sdf,6.529418468475342,1.9345812797546387,28.18172264099121
NOS1_HUMAN_302_723_0,5vus_A_rec.pdb,3nlz_3xd_lig.sdf,6.432046413421631,2.015209674835205,28.213092803955078
NOS1_HUMAN_302_723_0,3ufo_A_rec.pdb,3b3p_ji7_lig.sdf,6.385255813598633,1.673418641090393,27.752910614013672
NOS1_HUMAN_302_723_0,4caq_A_rec.pdb,4v3z_h4b_lig.sdf,6.497347831726074,1.9722791910171509,28.207792282104492
NOS1_HUMAN_302_723_0,4k5f_A_rec.pdb,4ctr_s20_lig.sdf,6.612953186035156,1.6995002031326294,27.92729377746582
NOS1_HUMAN_302_723_0,3nly_A_rec.pdb,3ufr_h4b_lig.sdf,6.596999645233154,1.669226884841919,27.915271759033203
NOS1_HUMAN_302_723_0,3rql_A_rec.pdb,4d3b_6j0_lig.sdf,6.14097785949707,1.8437610864639282,27.9482364654541
NOS1_HUMAN_302_723_0,4jsh_A_rec.pdb,3ufq_h4b_lig.sdf,6.335865497589111,2.273022174835205,28.47667121887207
NOS1_HUMAN_302_723_0,3pne_A_rec.pdb,4ctu_s42_lig.sdf,6.401862621307373,1.759408950805664,28.206043243408203
NOS1_HUMAN_302_723_0,3rqj_A_rec.pdb,5unt_8j1_lig.sdf,6.38493013381958,1.570697546005249,27.951513290405273
NOS1_HUMAN_302_723_0,4ctt_A_rec.pdb,3rqm_h4b_lig.sdf,6.417794704437256,1.9695910215377808,28.505338668823242
NOS1_HUMAN_302_723_0,1vag_A_rec.pdb,3svq_h4b_lig.sdf,6.480210304260254,1.7060004472732544,28.019678115844727
NOS1_HUMAN_302_723_0,3ufo_A_rec.pdb,3rqj_h4b_lig.sdf,6.385255813598633,1.673418641090393,27.752910614013672
NOS1_HUMAN_302_723_0,3tyo_A_rec.pdb,5ad6_7m3_lig.sdf,6.587771415710449,1.7088408470153809,27.967954635620117
NOS1_HUMAN_302_723_0,4imu_A_rec.pdb,4uh2_s84_lig.sdf,6.35823917388916,1.8452177047729492,28.303173065185547
NOS1_HUMAN_302_723_0,4kcj_A_rec.pdb,4ctv_7s7_lig.sdf,6.237452030181885,1.9129524230957031,28.192882537841797
NOS1_HUMAN_302_723_0,4ctt_A_rec.pdb,2hx4_h4b_lig.sdf,6.417794704437256,1.9695910215377808,28.505338668823242
NOS1_HUMAN_302_723_0,4ctu_A_rec.pdb,4uh2_h4b_lig.sdf,6.529418468475342,1.9345812797546387,28.18172264099121
NOS1_HUMAN_302_723_0,4v3x_A_rec.pdb,2hx4_4hx_lig.sdf,6.515767574310303,1.9813952445983887,28.246252059936523
NOS1_HUMAN_302_723_0,4d32_A_rec.pdb,3n5z_h4b_lig.sdf,6.610702991485596,1.883000135421753,28.404640197753906
NOS1_HUMAN_302_723_0,3svq_A_rec.pdb,3nly_h4b_lig.sdf,6.231022834777832,1.9205228090286255,28.318819046020508
NOS1_HUMAN_302_723_0,4cao_A_rec.pdb,3svq_jk4_lig.sdf,6.464348316192627,1.9742555618286133,28.194116592407227
NOS1_HUMAN_302_723_0,5vun_A_rec.pdb,3nlv_3xa_lig.sdf,6.643249988555908,1.6098636388778687,27.96538543701172
NOS1_HUMAN_302_723_0,4v3z_A_rec.pdb,3rqj_y2b_lig.sdf,6.54237174987793,1.9885812997817993,28.2123966217041
NOS1_HUMAN_302_723_0,3ufo_A_rec.pdb,5fvo_h4b_lig.sdf,6.385255813598633,1.673418641090393,27.752910614013672
NOS1_HUMAN_302_723_0,3nlz_A_rec.pdb,4cao_m46_lig.sdf,6.126978397369385,1.7130669355392456,28.344663619995117
NOS1_HUMAN_302_723_0,3uft_A_rec.pdb,3tyn_h4b_lig.sdf,6.628521919250488,1.8363633155822754,28.334070205688477
NOS1_HUMAN_302_723_0,4kci_A_rec.pdb,5unw_8f7_lig.sdf,6.455804824829102,1.7811707258224487,27.975534439086914
NOS1_HUMAN_302_723_0,5vuo_A_rec.pdb,3nlw_3xf_lig.sdf,6.462204456329346,1.7566819190979004,28.205543518066406
NOS1_HUMAN_302_723_0,3n5z_A_rec.pdb,3ufq_hw5_lig.sdf,6.621522426605225,1.6323180198669434,27.931795120239258
NOS1_HUMAN_302_723_0,3png_A_rec.pdb,4d7o_h4b_lig.sdf,6.182977676391602,1.725886583328247,27.797595977783203
NOS1_HUMAN_302_723_0,3uft_A_rec.pdb,4kch_h38_lig.sdf,6.628521919250488,1.8363633155822754,28.334070205688477
NOS1_HUMAN_302_723_0,4caq_A_rec.pdb,3nm0_3xe_lig.sdf,6.497347831726074,1.9722791910171509,28.207792282104492
NOS1_HUMAN_302_723_0,3nny_A_rec.pdb,5vun_9om_lig.sdf,6.359091758728027,1.576604962348938,27.959815979003906
NOS1_HUMAN_302_723_0,4k5f_A_rec.pdb,3ufw_hw0_lig.sdf,6.612953186035156,1.6995002031326294,27.92729377746582
NOS1_HUMAN_302_723_0,2hx4_A_rec.pdb,5fw0_w30_lig.sdf,6.558159351348877,1.7519545555114746,27.95611000061035
NOS1_HUMAN_302_723_0,5unv_A_rec.pdb,4jsi_q05_lig.sdf,6.718358516693115,1.8705713748931885,28.362571716308594
NOS1_HUMAN_302_723_0,4d3b_A_rec.pdb,3n5v_xfh_lig.sdf,6.658182144165039,1.6473861932754517,27.95416259765625
NOS1_HUMAN_302_723_0,3pnf_A_rec.pdb,4kcn_h4b_lig.sdf,6.328325271606445,1.8327171802520752,28.35715103149414
NOS1_HUMAN_302_723_0,4kch_A_rec.pdb,4d2y_h4b_lig.sdf,6.369068622589111,1.9776363372802734,28.513572692871094
NOS1_HUMAN_302_723_0,3b3p_A_rec.pdb,3nlw_h4b_lig.sdf,6.647636413574219,1.6893634796142578,27.984590530395508
NOS1_HUMAN_302_723_0,3rqm_A_rec.pdb,4d2y_l5z_lig.sdf,6.626710414886475,1.911933183670044,28.21529197692871
NOS1_HUMAN_302_723_0,5vun_A_rec.pdb,4kci_1qe_lig.sdf,6.643249988555908,1.6098636388778687,27.96538543701172
NOS1_HUMAN_302_723_0,3svp_A_rec.pdb,4imw_1ev_lig.sdf,6.7424445152282715,1.5463554859161377,28.115997314453125
NOS1_HUMAN_302_723_0,4cao_A_rec.pdb,3png_8cx_lig.sdf,6.464348316192627,1.9742555618286133,28.194116592407227
NOS1_HUMAN_302_723_0,5ad4_A_rec.pdb,4ctv_h4b_lig.sdf,6.279499053955078,1.8785240650177002,27.99185562133789
NOS1_HUMAN_302_723_0,3n2r_A_rec.pdb,4v3y_hlw_lig.sdf,6.601091384887695,1.6997047662734985,27.982521057128906
NOS1_HUMAN_302_723_0,4v3x_A_rec.pdb,3n5v_h4b_lig.sdf,6.515767574310303,1.9813952445983887,28.246252059936523
NOS1_HUMAN_302_723_0,3nny_A_rec.pdb,4kck_h4b_lig.sdf,6.359091758728027,1.576604962348938,27.959815979003906
NOS1_HUMAN_302_723_0,3pnf_A_rec.pdb,4jsi_h4b_lig.sdf,6.328325271606445,1.8327171802520752,28.35715103149414
NOS1_HUMAN_302_723_0,5vus_A_rec.pdb,4imu_h4b_lig.sdf,6.432046413421631,2.015209674835205,28.213092803955078
NOS1_HUMAN_302_723_0,3n2r_A_rec.pdb,5unv_h4b_lig.sdf,6.601091384887695,1.6997047662734985,27.982521057128906
NOS1_HUMAN_302_723_0,4jsh_A_rec.pdb,4kcl_h44_lig.sdf,6.335865497589111,2.273022174835205,28.47667121887207
NOS1_HUMAN_302_723_0,3tyo_A_rec.pdb,4kcm_h4b_lig.sdf,6.587771415710449,1.7088408470153809,27.967954635620117
NOS1_HUMAN_302_723_0,3tyl_A_rec.pdb,3n5y_h4b_lig.sdf,6.609500408172607,1.7164093255996704,27.965478897094727
NOS1_HUMAN_302_723_0,5fvp_A_rec.pdb,3ufo_h4b_lig.sdf,6.50758171081543,1.9814188480377197,28.162324905395508
NOS1_HUMAN_302_723_0,4kco_A_rec.pdb,5vus_h4b_lig.sdf,6.3708600997924805,1.5496280193328857,28.000905990600586
NOS1_HUMAN_302_723_0,1vag_A_rec.pdb,5fvp_h4b_lig.sdf,6.480210304260254,1.7060004472732544,28.019678115844727
NOS1_HUMAN_302_723_0,4v3w_A_rec.pdb,4v3v_h4b_lig.sdf,6.610800743103027,1.8630667924880981,28.235382080078125
NOS1_HUMAN_302_723_0,3pne_A_rec.pdb,3ufo_hw4_lig.sdf,6.401862621307373,1.759408950805664,28.206043243408203
NOS1_HUMAN_302_723_0,3nny_A_rec.pdb,3rql_x2d_lig.sdf,6.359091758728027,1.576604962348938,27.959815979003906
NOS1_HUMAN_302_723_0,3rqj_A_rec.pdb,3tym_h4b_lig.sdf,6.38493013381958,1.570697546005249,27.951513290405273
NOS1_HUMAN_302_723_0,5fvp_A_rec.pdb,3n2r_xjh_lig.sdf,6.50758171081543,1.9814188480377197,28.162324905395508
CYH3_HUMAN_63_258_0,2r0d_A_rec.pdb,2r09_pe5_lig.sdf,60.665313720703125,89.96794128417969,0.9585261940956116
CRY2_MOUSE_6_512_0,4i6e_A_rec.pdb,4mlp_2cx_lig.sdf,28.940160751342773,-10.989774703979492,10.55577278137207
CRY2_MOUSE_6_512_0,4i6e_A_rec.pdb,4i6g_fad_lig.sdf,28.940160751342773,-10.989774703979492,10.55577278137207
NFSB_ECOLI_1_217_0,1oon_A_rec.pdb,1oo6_sn2_lig.sdf,-8.723043441772461,-14.672174453735352,50.26047134399414
NFSB_ECOLI_1_217_0,1yki_C_rec.pdb,1icr_nio_lig.sdf,-8.571874618530273,-14.739956855773926,49.1699104309082
NFSB_ECOLI_1_217_0,1oon_A_rec.pdb,1yki_nfz_lig.sdf,-8.723043441772461,-14.672174453735352,50.26047134399414
NFSB_ECOLI_1_217_0,1icr_B_rec.pdb,1oon_bel_lig.sdf,-8.732773780822754,-14.98622989654541,49.134273529052734
NFSB_ECOLI_1_217_0,1ylr_B_rec.pdb,1idt_cb1_lig.sdf,-8.667869567871094,-14.777740478515625,49.66987228393555
NFSB_ECOLI_1_217_0,1oon_A_rec.pdb,1ooq_dtc_lig.sdf,-8.723043441772461,-14.672174453735352,50.26047134399414
XYLA_ACTM4_2_394_0,9xim_D_rec.pdb,1xim_xyl_lig.sdf,12.472052574157715,54.598106384277344,187.80615234375
XYLA_ACTM4_2_394_0,3xin_A_rec.pdb,5xim_sor_lig.sdf,11.898998260498047,54.64189147949219,187.80828857421875
XYLA_ACTM4_2_394_0,9xim_D_rec.pdb,1xin_xyl_lig.sdf,12.472052574157715,54.598106384277344,187.80615234375
XYLA_ACTM4_2_394_0,5xim_B_rec.pdb,5xin_xls_lig.sdf,11.886333465576172,54.64555358886719,187.77745056152344
XYLA_ACTM4_2_394_0,4xim_A_rec.pdb,9xim_xls_lig.sdf,12.489683151245117,54.594791412353516,187.83099365234375
MIAA_ECOLI_1_316_0,3foz_A_rec.pdb,2zxu_dst_lig.sdf,9.147470474243164,54.48311996459961,82.79835510253906
ASQJ_EMENI_109_416_0,5dax_A_rec.pdb,5daq_58d_lig.sdf,-24.272001266479492,-21.38468360900879,-4.174157619476318
ASQJ_EMENI_109_416_0,5dap_A_rec.pdb,5daw_58k_lig.sdf,-24.262474060058594,-21.36005210876465,-4.1757893562316895
ASQJ_EMENI_109_416_0,5daw_A_rec.pdb,5dax_58l_lig.sdf,-24.298526763916016,-21.398475646972656,-4.160578727722168
ASQJ_EMENI_109_416_0,5daw_A_rec.pdb,5dav_58j_lig.sdf,-24.298526763916016,-21.398475646972656,-4.160578727722168
EPN1_HUMAN_12_156_0,5lp0_A_rec.pdb,1h0a_i3p_lig.sdf,24.088666915893555,30.68866729736328,10.461666107177734
CP17A_HUMAN_22_508_catalytic_0,3swz_A_rec.pdb,4nkx_str_lig.sdf,17.007041931152344,33.99616622924805,30.331960678100586
CP17A_HUMAN_22_508_catalytic_0,5irv_A_rec.pdb,5irq_7d6_lig.sdf,16.58503532409668,33.87803649902344,30.5750732421875
CP17A_HUMAN_22_508_catalytic_0,3ruk_A_rec.pdb,3swz_tok_lig.sdf,17.083168029785156,34.04246139526367,30.746458053588867
CP17A_HUMAN_22_508_catalytic_0,5irv_A_rec.pdb,4nkw_plo_lig.sdf,16.58503532409668,33.87803649902344,30.5750732421875
CP17A_HUMAN_22_508_catalytic_0,5irq_C_rec.pdb,5irv_6d8_lig.sdf,16.919343948364258,33.673423767089844,30.472843170166016
CP17A_HUMAN_22_508_catalytic_0,5irv_A_rec.pdb,4nky_3qz_lig.sdf,16.58503532409668,33.87803649902344,30.5750732421875
CP17A_HUMAN_22_508_catalytic_0,4nkw_A_rec.pdb,4nkv_aer_lig.sdf,17.128040313720703,34.0467643737793,30.33788299560547
CP17A_HUMAN_22_508_catalytic_0,4nkz_A_rec.pdb,3ruk_aer_lig.sdf,17.11467933654785,33.959720611572266,30.302841186523438
CP17A_HUMAN_22_508_catalytic_0,4nky_A_rec.pdb,4nkz_lzz_lig.sdf,16.980308532714844,33.70500183105469,30.072307586669922
CP17A_HUMAN_22_508_catalytic_0,4nky_A_rec.pdb,5irq_6d7_lig.sdf,16.980308532714844,33.70500183105469,30.072307586669922
ALDA_ECOLI_1_479_0,2hg2_A_rec.pdb,2opx_dxc_lig.sdf,-55.40570068359375,19.731201171875,-14.029699325561523
GCST_HUMAN_29_403_0,1wsr_A_rec.pdb,1wsv_thh_lig.sdf,8.041046142578125,18.74818229675293,11.718728065490723
CDC20_HUMAN_162_495_0,4ggc_A_rec.pdb,4n14_wr7_lig.sdf,-26.760581970214844,-9.650750160217285,71.56866455078125
CDC20_HUMAN_162_495_0,4gga_A_rec.pdb,4ggc_mrd_lig.sdf,-26.596088409423828,-9.016727447509766,71.44145965576172
CCPR_YEAST_69_361_0,4jmt_A_rec.pdb,1cci_dmi_lig.sdf,20.971712112426758,2.4592857360839844,-3.926952600479126
CCPR_YEAST_69_361_0,1cci_A_rec.pdb,1aeb_3mt_lig.sdf,21.055727005004883,2.6665456295013428,-3.920363664627075
CCPR_YEAST_69_361_0,1cck_A_rec.pdb,4nvm_2o0_lig.sdf,20.76630401611328,3.300086259841919,-3.6557390689849854
CCPR_YEAST_69_361_0,1a2g_A_rec.pdb,4jmv_1ly_lig.sdf,20.85900115966797,3.228217363357544,-3.680565595626831
CCPR_YEAST_69_361_0,1cpe_A_rec.pdb,4jmz_1m2_lig.sdf,20.817781448364258,3.3003041744232178,-3.6479129791259766
CCPR_YEAST_69_361_0,4jqk_A_rec.pdb,1aeq_2ez_lig.sdf,20.506500244140625,3.2204501628875732,-3.6339499950408936
CCPR_YEAST_69_361_0,1aeu_A_rec.pdb,4jqk_1ln_lig.sdf,20.551042556762695,3.100817918777466,-3.853318214416504
CCPR_YEAST_69_361_0,1aet_A_rec.pdb,4jqj_1lm_lig.sdf,20.826305389404297,3.312434434890747,-3.6733474731445312
CCPR_YEAST_69_361_0,4nvl_A_rec.pdb,4nvk_2ny_lig.sdf,20.667526245117188,2.938368320465088,-3.8525266647338867
CCPR_YEAST_69_361_0,1aeu_A_rec.pdb,4nvg_2n9_lig.sdf,20.551042556762695,3.100817918777466,-3.853318214416504
CCPR_YEAST_69_361_0,5u5z_A_rec.pdb,4nvn_2o1_lig.sdf,20.940784454345703,2.777521848678589,-4.341217517852783
CCPR_YEAST_69_361_0,1bem_A_rec.pdb,1aev_amt_lig.sdf,20.675046920776367,2.7462856769561768,-3.565999746322632
CCPR_YEAST_69_361_0,4nvl_A_rec.pdb,1cmp_dmi_lig.sdf,20.667526245117188,2.938368320465088,-3.8525266647338867
CCPR_YEAST_69_361_0,4jmz_A_rec.pdb,4nvl_2nz_lig.sdf,20.73862075805664,2.9457616806030273,-3.8656187057495117
CCPR_YEAST_69_361_0,1aeg_A_rec.pdb,1aeu_2mz_lig.sdf,20.545000076293945,3.1219542026519775,-3.8512725830078125
CCPR_YEAST_69_361_0,1aet_A_rec.pdb,1aeo_2ap_lig.sdf,20.826305389404297,3.312434434890747,-3.6733474731445312
CCPR_YEAST_69_361_0,5u5w_A_rec.pdb,5u5y_7w4_lig.sdf,20.850086212158203,2.8948261737823486,-4.206782817840576
CCPR_YEAST_69_361_0,4nvj_B_rec.pdb,5u5v_7wa_lig.sdf,20.76723861694336,2.979095220565796,-3.9949049949645996
CCPR_YEAST_69_361_0,1a2g_A_rec.pdb,1aet_1mz_lig.sdf,20.85900115966797,3.228217363357544,-3.680565595626831
CCPR_YEAST_69_361_0,1cmu_A_rec.pdb,1aef_3ap_lig.sdf,20.50086212158203,3.1295907497406006,-3.8024544715881348
CCPR_YEAST_69_361_0,1aeo_A_rec.pdb,1aeh_24t_lig.sdf,20.551042556762695,3.100817918777466,-3.853318214416504
CCPR_YEAST_69_361_0,1cck_A_rec.pdb,4jms_1lx_lig.sdf,20.76630401611328,3.300086259841919,-3.6557390689849854
CCPR_YEAST_69_361_0,4jmz_A_rec.pdb,1aee_anl_lig.sdf,20.73862075805664,2.9457616806030273,-3.8656187057495117
CCPR_YEAST_69_361_0,1ccc_A_rec.pdb,1aej_nvi_lig.sdf,20.83204460144043,3.130521297454834,-3.6781303882598877
CCPR_YEAST_69_361_0,1bes_A_rec.pdb,4nvh_2nb_lig.sdf,20.223947525024414,2.8756000995635986,-3.6910500526428223
CCPR_YEAST_69_361_0,4nvj_B_rec.pdb,4jmt_1lz_lig.sdf,20.76723861694336,2.979095220565796,-3.9949049949645996
CCPR_YEAST_69_361_0,1cyf_A_rec.pdb,4jmb_1lw_lig.sdf,20.73000144958496,3.2354347705841064,-3.59386944770813
CCPR_YEAST_69_361_0,4nvl_A_rec.pdb,4jpt_q24_lig.sdf,20.667526245117188,2.938368320465088,-3.8525266647338867
CCPR_YEAST_69_361_0,4nvo_B_rec.pdb,4jn0_1mj_lig.sdf,20.450700759887695,3.1381499767303467,-3.7036004066467285
CCPR_YEAST_69_361_0,5u5v_A_rec.pdb,1aed_dti_lig.sdf,20.709287643432617,3.040095090866089,-3.838904857635498
CCPR_YEAST_69_361_0,1z53_A_rec.pdb,5u5z_7vp_lig.sdf,21.131698608398438,2.942086935043335,-3.923478603363037
CCPR_YEAST_69_361_0,4jms_A_rec.pdb,5u5w_7w1_lig.sdf,20.77950096130371,2.739727258682251,-3.5845000743865967
CCPR_YEAST_69_361_0,1aeh_A_rec.pdb,5cic_51r_lig.sdf,20.545000076293945,3.1219542026519775,-3.8512725830078125
CCPR_YEAST_69_361_0,4nvn_B_rec.pdb,5ug2_86j_lig.sdf,20.607580184936523,2.9080002307891846,-3.8571054935455322
CCPR_YEAST_69_361_0,1ccg_A_rec.pdb,5u60_7vs_lig.sdf,21.005952835083008,3.160773277282715,-3.8653180599212646
CCPR_YEAST_69_361_0,4jqk_A_rec.pdb,4nvd_1lq_lig.sdf,20.506500244140625,3.2204501628875732,-3.6339499950408936
CCPR_YEAST_69_361_0,1ac8_A_rec.pdb,4nvo_556_lig.sdf,20.544912338256836,3.1217269897460938,-3.8501365184783936
CCPR_YEAST_69_361_0,1aee_A_rec.pdb,4nvi_2nw_lig.sdf,20.571044921875,3.1281816959381104,-3.8226816654205322
CCPR_YEAST_69_361_0,1aev_A_rec.pdb,4nvj_2nx_lig.sdf,20.49486541748047,3.0882270336151123,-3.840045213699341
CCPR_YEAST_69_361_0,1aem_A_rec.pdb,1ac4_tmt_lig.sdf,20.545000076293945,3.1219542026519775,-3.8512725830078125
CCPR_YEAST_69_361_0,1aen_A_rec.pdb,1aek_idm_lig.sdf,20.551042556762695,3.100817918777466,-3.853318214416504
CCPR_YEAST_69_361_0,1aeb_A_rec.pdb,1aen_25t_lig.sdf,20.545000076293945,3.1219542026519775,-3.8512725830078125
CCPR_YEAST_69_361_0,4nvj_B_rec.pdb,1aeg_4ap_lig.sdf,20.76723861694336,2.979095220565796,-3.9949049949645996
CCPR_YEAST_69_361_0,1cmu_A_rec.pdb,1ac8_tmz_lig.sdf,20.50086212158203,3.1295907497406006,-3.8024544715881348
CCPR_YEAST_69_361_0,1ccc_A_rec.pdb,1aem_mpi_lig.sdf,20.83204460144043,3.130521297454834,-3.6781303882598877
SABP2_TOBAC_1_260_0,1y7h_B_rec.pdb,1y7i_sal_lig.sdf,-6.118874549865723,-3.108999729156494,28.041439056396484
GLDSA_BACCI_1_418_0,2c81_A_rec.pdb,5w71_9ym_lig.sdf,-9.787280082702637,-3.456480026245117,15.099520683288574
GLDSA_BACCI_1_418_0,2c81_A_rec.pdb,5w71_plp_lig.sdf,-9.787280082702637,-3.456480026245117,15.099520683288574
GLDSA_BACCI_1_418_0,5w71_A_rec.pdb,2c81_pmp_lig.sdf,-9.489768981933594,-4.019423007965088,14.96346378326416
ANKX_LEGPH_1_484_0,4bep_A_rec.pdb,4bes_c5p_lig.sdf,-10.262577056884766,28.126888275146484,2.588038921356201
ANKX_LEGPH_1_484_0,4bes_A_rec.pdb,4bet_cdc_lig.sdf,-10.422359466552734,27.750001907348633,2.8378000259399414
ANKX_LEGPH_1_484_0,4bet_A_rec.pdb,4bes_pc_lig.sdf,-10.020999908447266,26.969160079956055,3.1477200984954834
ANKX_LEGPH_1_484_0,4bes_A_rec.pdb,4ber_c5p_lig.sdf,-10.422359466552734,27.750001907348633,2.8378000259399414
DAPD_YERPE_1_270_0,3tdt_A_rec.pdb,1kgt_pml_lig.sdf,58.166748046875,93.64938354492188,-3.6082496643066406
DAPD_YERPE_1_270_0,1kgt_A_rec.pdb,3tdt_26p_lig.sdf,58.089874267578125,93.67787170410156,-3.519749879837036
DAPD_YERPE_1_270_0,3gos_B_rec.pdb,2tdt_npi_lig.sdf,57.92642593383789,94.19385528564453,-2.0884287357330322
KATG2_HALMA_1_731_0,3vlk_A_rec.pdb,3vlj_ddj_lig.sdf,134.44900512695312,-12.234472274780273,46.11182403564453
KATG2_HALMA_1_731_0,3uw8_A_rec.pdb,3vll_sha_lig.sdf,134.49070739746094,-12.308175086975098,46.07999801635742
MYCF_MICGR_2_254_0,4x7x_B_rec.pdb,4x7v_miv_lig.sdf,54.94686508178711,105.52336883544922,49.117095947265625
MYCF_MICGR_2_254_0,4x7x_B_rec.pdb,4x81_mvi_lig.sdf,54.94686508178711,105.52336883544922,49.117095947265625
MYCF_MICGR_2_254_0,4x7v_A_rec.pdb,4x7z_zm3_lig.sdf,54.94966506958008,105.43785095214844,49.10771179199219
MYCF_MICGR_2_254_0,4xvz_A_rec.pdb,4x7x_3zp_lig.sdf,54.15220260620117,99.63130187988281,46.13309860229492
MYCF_MICGR_2_254_0,4x7z_A_rec.pdb,4x7w_mvi_lig.sdf,55.114097595214844,105.72456359863281,48.696250915527344
MYCF_MICGR_2_254_0,4x81_A_rec.pdb,4x7u_zm3_lig.sdf,55.08915328979492,105.70140075683594,48.69910430908203
TRFE_CHICK_110_268_0,2d3i_A_rec.pdb,1nft_nta_lig.sdf,24.69216537475586,74.99561309814453,56.81850051879883
ADA33_HUMAN_204_410_0,1r54_A_rec.pdb,1r55_097_lig.sdf,10.686065673828125,17.115999221801758,26.512134552001953
ODBA_PSEPU_1_410_0,2bp7_A_rec.pdb,1qs0_tdp_lig.sdf,-6.700560092926025,-13.786799430847168,103.46783447265625
NRK1_HUMAN_1_197_0,2qg6_A_rec.pdb,2ql6_adp_lig.sdf,-25.167301177978516,2.5432000160217285,-9.040067672729492
NRK1_HUMAN_1_197_0,2p0e_A_rec.pdb,2qsy_adp_lig.sdf,-25.818098068237305,2.846066474914551,-9.523966789245605
NRK1_HUMAN_1_197_0,2p0e_A_rec.pdb,2ql6_tiz_lig.sdf,-25.818098068237305,2.846066474914551,-9.523966789245605
NRK1_HUMAN_1_197_0,2qg6_A_rec.pdb,2qt0_nnr_lig.sdf,-25.167301177978516,2.5432000160217285,-9.040067672729492
NRK1_HUMAN_1_197_0,2qt1_A_rec.pdb,2qg6_nmn_lig.sdf,-25.814363479614258,2.7820000648498535,-9.385699272155762
NRK1_HUMAN_1_197_0,2qt0_A_rec.pdb,2p0e_tiz_lig.sdf,-25.40268325805664,2.784656047821045,-9.073312759399414
NRK1_HUMAN_1_197_0,2ql6_A_rec.pdb,2qt1_nnr_lig.sdf,-25.521512985229492,2.5668277740478516,-9.57182788848877
NRK1_HUMAN_1_197_0,2qg6_A_rec.pdb,2qt0_anp_lig.sdf,-25.167301177978516,2.5432000160217285,-9.040067672729492
TPIS_STAAR_1_253_0,3uww_B_rec.pdb,3uwv_2pg_lig.sdf,-3.3666000366210938,19.375099182128906,23.615001678466797
TPIS_STAAR_1_253_0,3uwz_A_rec.pdb,3uwu_g3p_lig.sdf,-2.5628230571746826,20.111236572265625,22.61541175842285
TPIS_STAAR_1_253_0,3uwz_A_rec.pdb,3uww_3pg_lig.sdf,-2.5628230571746826,20.111236572265625,22.61541175842285
TPIS_STAAR_1_253_0,3uww_B_rec.pdb,3uwz_g2h_lig.sdf,-3.3666000366210938,19.375099182128906,23.615001678466797
TSPO_BACCR_1_153_0,4rym_A_rec.pdb,4ryn_pge_lig.sdf,36.603004455566406,46.998382568359375,10.218238830566406
TSPO_BACCR_1_153_0,4ryo_A_rec.pdb,4ryi_pka_lig.sdf,36.35995101928711,47.79004669189453,10.604047775268555
RIBB_METJA_1_227_0,1pvw_A_rec.pdb,1snn_5rp_lig.sdf,-1.262823462486267,-4.582881927490234,11.6314697265625
