pdb_id,ligand_smiles,neglog_aff,protein_filename,pocket_filename,ligand_filename
1ugx,COC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1NC(C)=O,5.91,1ugx_protein.pt,1ugx_pocket.pt,1ugx_ligand.pt
5ey0,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,2.65,5ey0_protein.pt,5ey0_pocket.pt,5ey0_ligand.pt
3sus,CC1[NH2+]C2C(OC(CO)C(O)C2O)S1,4.15,3sus_protein.pt,3sus_pocket.pt,3sus_ligand.pt
1qbr,O=C(NC1=NC=CS1)C1C=C(C=CC=1)CN1C(=O)N(CC2C=CC=C(C=2)C(=O)NC2=NC=CS2)C(CC2C=CC=CC=2)C(O)C(O)C1CC1C=CC=CC=1,10.57,1qbr_protein.pt,1qbr_pocket.pt,1qbr_ligand.pt
1c86,O=C([O-])C(=O)NC1SC2COCCC=2C=1C(=O)[O-],4.7,1c86_protein.pt,1c86_pocket.pt,1c86_ligand.pt
2ydw,CC1=NN=C2C(N=C(C3C=CC=CC=3)C3=CC=CC=C3N12)NC(=O)OCC1C=CC=CC=1,7.34,2ydw_protein.pt,2ydw_pocket.pt,2ydw_ligand.pt
5d3l,CCC1=C(NC(C)=C1C(C)=O)C(=O)NC1=CC(=C(C)C=C1O)S(=O)(=O)N(CC)CC,6.06,5d3l_protein.pt,5d3l_pocket.pt,5d3l_ligand.pt
1nq7,CC(C=CC=C(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)=CC(=O)[O-],6.8,1nq7_protein.pt,1nq7_pocket.pt,1nq7_ligand.pt
1d4i,O=C(NC1C2=CC=CC=C2CC1O)C(CC(O)C(OCC1C=CC=CC=1)C(=O)NC1C2=CC=CC=C2CC1O)OCC1C=CC=CC=1,8.85,1d4i_protein.pt,1d4i_pocket.pt,1d4i_ligand.pt
3t09,O=C1OC(CO)C(O)C(O)C1O,3.8,3t09_protein.pt,3t09_pocket.pt,3t09_ligand.pt
4djr,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OCC1CCC(=O)N1)S(=O)(=O)C1C=C2SC=NC2=CC=1,11.52,4djr_protein.pt,4djr_pocket.pt,4djr_ligand.pt
3tvc,NC(=O)C(CCC(=O)[O-])NC(=O)CCC1C=CC(=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1,7.74,3tvc_protein.pt,3tvc_pocket.pt,3tvc_ligand.pt
5vkc,CC(=O)N1CCN(CC1)C1C=CC(=CC=1)OCC1=NN(C)C(C)=C1C1C=CC=C2C(CCCOC3=CC=CC4=CC=CC=C43)=C(C(=O)[O-])N(CC3C=NC=CC=3)C=12,8.74,5vkc_protein.pt,5vkc_pocket.pt,5vkc_ligand.pt
1g30,CCOC(=O)CON=C(C1=CC=CC=N1)C1(CC1)C1C=CC2=C(C=1)N=C(CNC1C=CC(=CC=1)[C+](=N)=N)N2C,6.85,1g30_protein.pt,1g30_pocket.pt,1g30_ligand.pt
6fnq,C[N+](C)(C)C(CC1=CN=CN1)C(=O)[O-],4.59,6fnq_protein.pt,6fnq_pocket.pt,6fnq_ligand.pt
2gvj,O=C(C=CC1C=NC=CC=1)NCCCCC1CCN(CC1)C(=O)C1C=CC=CC=1,9.52,2gvj_protein.pt,2gvj_pocket.pt,2gvj_ligand.pt
4yc0,O=C([O-])CC1=NNC(=O)C2=CC=CC=C21,4.13,4yc0_protein.pt,4yc0_pocket.pt,4yc0_ligand.pt
5jy3,CC(C)(O)C1=CN(C2=CC=C(C=C2F)C2=CC(F)=C(CO)C(=C2)S(C)(=O)=O)C(=N1)C(C)(C)C1C(Cl)=CC=CC=1Cl,7.92,5jy3_protein.pt,5jy3_pocket.pt,5jy3_ligand.pt
4gr8,CC(NC(=O)C(C)NC(=O)C(CC1=CC(=NO1)C1C=CC=CC=1)C[P](=O)(=O)C1C=CC(Br)=CC=1)C(N)=O,7.83,4gr8_protein.pt,4gr8_pocket.pt,4gr8_ligand.pt
1ebw,CCC(C)C(NC(=O)C(OCC1C=CC=CC=1)C(O)C(O)C(OCC1=CCC=CC1)C(=O)NC(C(=O)NC)C(C)CC)C(=O)NC,9.05,1ebw_protein.pt,1ebw_pocket.pt,1ebw_ligand.pt
2wq5,CN(C)C1=CC=C(O)C2C(=O)C3=C(O)C4(O)C(=O)C(C(N)=O)C(O)C(C4CC3CC=21)[NH+](C)C,3.74,2wq5_protein.pt,2wq5_pocket.pt,2wq5_ligand.pt
3dyo,CC(C)SC1OC(CO)C(O)C(O)C1O,2.3,3dyo_protein.pt,3dyo_pocket.pt,3dyo_ligand.pt
2psu,CNC(=O)CCC(=O)NC(CC1C=CC=CC=1)C(O)CN(CC1CC1)S(=O)(=O)C1C=CC=C(C=1)OC,7.62,2psu_protein.pt,2psu_pocket.pt,2psu_ligand.pt
1dzk,COC1N=CC=NC=1CC(C)C,6.1,1dzk_protein.pt,1dzk_pocket.pt,1dzk_ligand.pt
2bys,C[NH+]1C(CCCC1CC(O)C1C=CC=CC=1)CC(=O)C1C=CC=CC=1,9.52,2bys_protein.pt,2bys_pocket.pt,2bys_ligand.pt
4ivc,CC(O)C1=NC2C=NC3NC=CC=3C=2N1C1CCC(CC#N)CC1,10.0,4ivc_protein.pt,4ivc_pocket.pt,4ivc_ligand.pt
3oy0,CCCC(C(=O)NC1C=CC(=CC=1)S(N)(=O)=O)C(C)(C)C,8.0,3oy0_protein.pt,3oy0_pocket.pt,3oy0_ligand.pt
1b8y,O=C([O-])CNS(=O)(=O)C1C=CC(=CC=1)N1CCC(CC1)C1C=CC=CC=1,7.85,1b8y_protein.pt,1b8y_pocket.pt,1b8y_ligand.pt
4jwk,N=[C+]1C=CN(C(=O)N1)C1OC(CO)C(O)C1O,8.32,4jwk_protein.pt,4jwk_pocket.pt,4jwk_ligand.pt
3c84,N#CN=C1SCCN1CC1C=CC(Cl)=NC=1,7.85,3c84_protein.pt,3c84_pocket.pt,3c84_ligand.pt
4d7b,CC1C=CC(=CC=1)C(=O)C1=CC(O)=C(O)C(=C1)[N+](=O)[O-],7.68,4d7b_protein.pt,4d7b_pocket.pt,4d7b_ligand.pt
5kma,CCN[P](=O)(=O)OCC1OC(C(O)C1O)N1C=NC2C(=O)N[C+](=N)NC=21,4.71,5kma_protein.pt,5kma_pocket.pt,5kma_ligand.pt
4zbi,O=C([O-])C1=C(CCCOC2=CC=CC3=CC=CC=C32)C2=CC=CC3CCCN1C=32,6.51,4zbi_protein.pt,4zbi_pocket.pt,4zbi_ligand.pt
5iyy,NC(=[NH2+])NCCCC(NC(=O)OCC1C=CC=CC=1)C(=O)[O-],4.77,5iyy_protein.pt,5iyy_pocket.pt,5iyy_ligand.pt
4or6,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.31,4or6_protein.pt,4or6_pocket.pt,4or6_ligand.pt
3gvu,CC1C=CC(=CC=1NC1N=CC=C(N=1)C1C=CC=NC=1)NC(=O)C1C=CC(=CC=1)C[NH+]1CC[NH+](C)CC1,8.0,3gvu_protein.pt,3gvu_pocket.pt,3gvu_ligand.pt
2iuz,CN1C=NC2=C1C(=O)N(CCN1C(=O)C3=C(N=CN3C)N(C)C1=O)C(=O)N2C,5.55,2iuz_protein.pt,2iuz_pocket.pt,2iuz_ligand.pt
4csd,COC1OC(C)C(O)C(O)C1O,5.91,4csd_protein.pt,4csd_pocket.pt,4csd_ligand.pt
4b33,OC1C=CC=C2C=CC=CC=12,3.37,4b33_protein.pt,4b33_pocket.pt,4b33_ligand.pt
6gf9,CCCCCCCCCCCCCCCCC(=O)[O-],6.39,6gf9_protein.pt,6gf9_pocket.pt,6gf9_ligand.pt
5l2s,CC[NH+]1CC[NH+](CC1)CC1C=CC(=NC=1)NC1N=CC(F)=C(N=1)C1C=C(F)C2N=C(C)N(C=2C=1)C(C)C,7.08,5l2s_protein.pt,5l2s_pocket.pt,5l2s_ligand.pt
2yay,O=C1NC(O)=CCN1C1CC(O)C(CO[P](=O)(=O)N[P](=O)(=O)OP(=O)(=O)=O)O1,6.1,2yay_protein.pt,2yay_pocket.pt,2yay_ligand.pt
3igp,COC1C=C2CCN(CC2=CC=1OC)S(N)(=O)=O,7.02,3igp_protein.pt,3igp_pocket.pt,3igp_ligand.pt
1bwa,O=C(NC1=NC=CS1)C1C=C(C=CC=1)CN1C(=O)N(CC2C=CC=C(C=2)C(=O)NC2=NC=CS2)C(CC2C=CC=CC=2)C(O)C(O)C1CC1C=CC=CC=1,8.6,1bwa_protein.pt,1bwa_pocket.pt,1bwa_ligand.pt
5evb,O=C([O-])C1CSC2CSC(CS)[NH+]21,5.0,5evb_protein.pt,5evb_pocket.pt,5evb_ligand.pt
2w5g,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.07,2w5g_protein.pt,2w5g_pocket.pt,2w5g_ligand.pt
5tcy,O=C(NCCCCCNC(=O)C1C=CC=C(O)C=1O)C1C=CC=C(O)C=1O,7.66,5tcy_protein.pt,5tcy_pocket.pt,5tcy_ligand.pt
1f8c,CC(=O)NC1C([NH3+])C=C(OC1C(O)C(O)CO)C(=O)[O-],7.4,1f8c_protein.pt,1f8c_pocket.pt,1f8c_ligand.pt
5t7s,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,4.1,5t7s_protein.pt,5t7s_pocket.pt,5t7s_ligand.pt
4ly9,CC1COCC[NH+]1CC1CN(CCN1C1C=CC(=CC=1)C(C)(O)C(F)(F)F)S(=O)(=O)C1=CC=CS1,8.15,4ly9_protein.pt,4ly9_pocket.pt,4ly9_ligand.pt
1a4k,CC(=O)NC1C=CC(=CC=1)N1C(=O)C2C3CCC(CC3)(NC(=O)OCC(=O)[O-])C2C1=O,8.0,1a4k_protein.pt,1a4k_pocket.pt,1a4k_ligand.pt
3liw,N=[C+](=N)C1C=CC=C(C=1)CC(NC(=O)NC1C2CC3CC(C2)CC1C3)C(=O)NCCC1C=CC=CC=1,7.6,3liw_protein.pt,3liw_pocket.pt,3liw_ligand.pt
4xy8,COC1C=CC(Br)=CC=1C1=NC(N)=NC2NC=NC=21,6.4,4xy8_protein.pt,4xy8_pocket.pt,4xy8_ligand.pt
3fv1,C[NH2+]C1C(O)COC2CC(CC([NH3+])C(=O)[O-])(OC21)C(=O)[O-],9.3,3fv1_protein.pt,3fv1_pocket.pt,3fv1_ligand.pt
2reg,C[N+](C)(C)CCO,5.64,2reg_protein.pt,2reg_pocket.pt,2reg_ligand.pt
4cws,NC1=N[N+]2C(CC3C=CC4OCOC=4C=3)=NC3=CC(=CC=C3C=2N1)NCCO,7.92,4cws_protein.pt,4cws_pocket.pt,4cws_ligand.pt
4nnr,CCCC1CC(C)CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(O)C(=O)N2CCCCC2C(=O)OC(C(C)=CC2CCC(O)C(C2)OC)C(C)C(O)CC1O,7.26,4nnr_protein.pt,4nnr_pocket.pt,4nnr_ligand.pt
5zae,NC(=[NH2+])NC(=O)C1N=C(C2=CC=CO2)C(=NC=1N)N1CCCCCC1,6.81,5zae_protein.pt,5zae_pocket.pt,5zae_ligand.pt
2nn7,CCOC(=O)CCC1C=CC(=CC=1)S(N)(=O)=O,6.52,2nn7_protein.pt,2nn7_pocket.pt,2nn7_ligand.pt
2f7i,O=C([O-])C1C=CC(=CC=1)C1C(F)=CC=CC=1F,7.1,2f7i_protein.pt,2f7i_pocket.pt,2f7i_ligand.pt
1hmr,CCCCCCCCCCCCCCCCCC(=O)[O-],6.55,1hmr_protein.pt,1hmr_pocket.pt,1hmr_ligand.pt
3ga5,OCC(O)COC1OC(CO)C(O)C(O)C1O,5.49,3ga5_protein.pt,3ga5_pocket.pt,3ga5_ligand.pt
5gmh,CCOCC1=NC2C(N)=NC3=CC=CC=C3C=2N1CC(C)(C)O,6.31,5gmh_protein.pt,5gmh_pocket.pt,5gmh_ligand.pt
4xaq,[NH3+]C1(CCC2C(C(=O)[O-])C21)C(=O)[O-],7.14,4xaq_protein.pt,4xaq_pocket.pt,4xaq_ligand.pt
1e66,CCC1=CC2CC3N=C4C=C(Cl)C=CC4=C(N)C=3C(C1)C2,9.89,1e66_protein.pt,1e66_pocket.pt,1e66_ligand.pt
4u5n,CC(O)C(NC(=O)CNC(=O)C(CCCC[NH3+])[NH2+]CC1C=CC(=CC=1)C1C=NC=CC=1)C(O)[NH2+]C(CC1C=CC=CC=1)C(N)=O,2.48,4u5n_protein.pt,4u5n_pocket.pt,4u5n_ligand.pt
2v59,COC1=CC=CC(OC)=C1C1=CC2C=NC(N)=NC=2N=C1N,7.74,2v59_protein.pt,2v59_pocket.pt,2v59_ligand.pt
2gst,[NH3+]C(CCC(=O)NC(CSC1C2=CC=CC=C2C2=CC=CC=C2C1O)C(=O)NCC(=O)[O-])C(=O)[O-],6.07,2gst_protein.pt,2gst_pocket.pt,2gst_ligand.pt
4ghi,O=[N+]([O-])C1C2=NON=C2C=CC=1NC1C=C(Cl)C=C(F)C=1,7.09,4ghi_protein.pt,4ghi_pocket.pt,4ghi_ligand.pt
3own,CC(C)CNC(=O)C(CC(O)C1COCC2=CC=CC(=C2)C(NC(=O)C2=CC(=CC(=C2)C(=O)N1)N(C)S(C)(=O)=O)C1C=CC=CC=1)C(C)C,7.47,3own_protein.pt,3own_pocket.pt,3own_ligand.pt
4llp,CC1=CC(N)=CC=C1O,4.8,4llp_protein.pt,4llp_pocket.pt,4llp_ligand.pt
5m04,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.34,5m04_protein.pt,5m04_pocket.pt,5m04_ligand.pt
1qbu,O=C(NC1=NC=CS1)C1C=C(C=CC=1)CN1C(=O)N(CC2CC2)C(CC2C=CC=CC=2)C(O)C(O)C1CC1C=CC=CC=1,10.24,1qbu_protein.pt,1qbu_pocket.pt,1qbu_ligand.pt
1tsy,O=C1C=CN(C(=O)N1)C1CC(O)C(COP(=O)(=O)=O)O1,4.96,1tsy_protein.pt,1tsy_pocket.pt,1tsy_ligand.pt
2yki,O=C(NC1C2C=CC=CC=2C2C(=CC=CC=21)C1=NC2=CC=NC=C2N1)C1=CC=NC2NC=CC=21,9.46,2yki_protein.pt,2yki_pocket.pt,2yki_ligand.pt
2wnc,C[NH+]1C2CCC1CC(C2)OC(=O)C1=CNC2C=CC=CC=21,6.32,2wnc_protein.pt,2wnc_pocket.pt,2wnc_ligand.pt
4aoi,N#CC1C=CC(=CC=1)C1C=NC2=NN=C(CC3=CNC4=NC=CC=C34)N2N=1,8.4,4aoi_protein.pt,4aoi_pocket.pt,4aoi_ligand.pt
4x8u,O=C([O-])C1=CC2C=C(Cl)C=CC=2N1,2.46,4x8u_protein.pt,4x8u_pocket.pt,4x8u_ligand.pt
5nze,CCC(CC)OC1C=C(CC([NH3+])C1NC(C)=O)C(=O)[O-],6.39,5nze_protein.pt,5nze_pocket.pt,5nze_ligand.pt
2ccb,CC1=CC2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)C=2C=C1C,7.45,2ccb_protein.pt,2ccb_pocket.pt,2ccb_ligand.pt
2wc3,CCCCCCCCN=C1OCC2C(O)C(O)C(O)C(O)N12,6.08,2wc3_protein.pt,2wc3_pocket.pt,2wc3_ligand.pt
5ct2,O=S(=O)([O-])CCC[NH2+]C1CCCCC1,2.92,5ct2_protein.pt,5ct2_pocket.pt,5ct2_ligand.pt
4zb6,[NH3+]C(CCC(=O)NC(CSSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-],6.28,4zb6_protein.pt,4zb6_pocket.pt,4zb6_ligand.pt
3iw6,CCOC(=O)C1=C(C)C(C(=O)N2CC[NH+](CC2)CC2C=CC=CC=2)=C(C)N1CC,5.48,3iw6_protein.pt,3iw6_pocket.pt,3iw6_ligand.pt
4deu,O=C1CC(OC2C=C(O)C=C(O)C=21)C1C=CC(O)=CC=1,5.64,4deu_protein.pt,4deu_pocket.pt,4deu_ligand.pt
7upj,O=C1OC2CCCCCCC=2C(O)=C1C(C1C=C(C=CC=1)NS(=O)(=O)C1C=CC=CC=1)C1CC1,8.49,7upj_protein.pt,7upj_pocket.pt,7upj_ligand.pt
6chp,COC(=O)N1CCC(CC1)CC1=CC=CC(=C1)C(CC#N)NC1=NC2=NC(C)=CC=C2N1,10.12,6chp_protein.pt,6chp_pocket.pt,6chp_ligand.pt
5lle,NS(=O)(=O)C1C(F)=C(F)C(NC23CC4CC(CC(C4)C2)C3)=C(F)C=1F,10.22,5lle_protein.pt,5lle_pocket.pt,5lle_ligand.pt
1lgt,OC1=CC=CC(=C1O)C1C=CC=CC=1Cl,6.1,1lgt_protein.pt,1lgt_pocket.pt,1lgt_ligand.pt
3t8v,CC(C)NC(=O)COCCOCCNC(=O)C(C)NC(=O)C(O)C([NH3+])CC1C=CC(=CC=1)OCC1C=CC=CC=1,6.59,3t8v_protein.pt,3t8v_pocket.pt,3t8v_ligand.pt
1nfy,N=[C+](=N)C1C=CC(=CC=1)CN1CCN(CC1=O)S(=O)(=O)C1=CC2C=CC(Cl)=CC=2S1,8.89,1nfy_protein.pt,1nfy_pocket.pt,1nfy_ligand.pt
2brb,OCCNC1=NC=NC2OC(C3C=CC=CC=3)=C(C3C=CC=CC=3)C=21,4.86,2brb_protein.pt,2brb_pocket.pt,2brb_ligand.pt
3bwj,NC(=[NH2+])NCCCC(NC(=O)C(CCCNC(N)=[NH2+])NC(=O)CCCCCNC(=O)C1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21)C(N)=O,6.5,3bwj_protein.pt,3bwj_pocket.pt,3bwj_ligand.pt
5g2g,CC12C=CC3C4C=CC(O)=CC=4C=CC=3C1=CCC2=O,6.05,5g2g_protein.pt,5g2g_pocket.pt,5g2g_ligand.pt
4dbm,CN1C(=O)C=C(OCC2=CN(N=N2)C2CC3C=CC(C2)[N+]3(C)C)C2C=CC=CC=21,7.62,4dbm_protein.pt,4dbm_pocket.pt,4dbm_ligand.pt
6b96,FC(F)(F)C1C=CC(=CC=1)C1(C=C1)NC1=NC(Cl)=NC2=NNC=C21,7.84,6b96_protein.pt,6b96_pocket.pt,6b96_ligand.pt
5o1d,CCCOC1=CC(C(=O)[O-])=C(O)C(I)=C1N1C=CC=C1,4.66,5o1d_protein.pt,5o1d_pocket.pt,5o1d_ligand.pt
1uml,NC(=O)C1=CN(C=N1)C(CO)CCN1C=CC2C=CC(=CC=21)NC(=O)CCC1C=CC=CC=1,7.52,1uml_protein.pt,1uml_pocket.pt,1uml_ligand.pt
5d3t,CCC1=C(NC(C)=C1C(C)=O)C(=O)N(C)CC1=CC=CC(=C1)C(N)=O,4.92,5d3t_protein.pt,5d3t_pocket.pt,5d3t_ligand.pt
1ai4,O=C([O-])CC1=CC=C(O)C(O)=C1,2.5,1ai4_protein.pt,1ai4_pocket.pt,1ai4_ligand.pt
1zpa,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)N1C=C(CNC(=O)C2C=CC(=CC=2)CNC(=O)OC(C)(C)C)N=N1,8.4,1zpa_protein.pt,1zpa_pocket.pt,1zpa_ligand.pt
6dh6,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,9.93,6dh6_protein.pt,6dh6_pocket.pt,6dh6_ligand.pt
2jiw,CC(=O)NC1C([NH3+])C=C(CO)C(O)C1O,4.59,2jiw_protein.pt,2jiw_pocket.pt,2jiw_ligand.pt
2vwc,COC1CC(C)C(OC)C2=CC(=O)C=C(NC(=O)C(C)=CC=CC(C)C(OC(N)=O)C(C)=CC(C)C1OC)C2=O,6.62,2vwc_protein.pt,2vwc_pocket.pt,2vwc_ligand.pt
5uez,COC1=CC(=O)N(C)N=C1C1=CC=CC=C1OC1C=CC=CC=1,6.01,5uez_protein.pt,5uez_pocket.pt,5uez_ligand.pt
4zw8,CC(C)(C)OC(=O)NC(C(=O)NO)C1C=CC(=CC=1)C1C=CC=C(C=1)[C+](=N)=NO,5.96,4zw8_protein.pt,4zw8_pocket.pt,4zw8_ligand.pt
4ovg,NC(=O)CN1C2=CC=C(Cl)C=C2C2CCC(CC=21)C(=O)[O-],3.69,4ovg_protein.pt,4ovg_pocket.pt,4ovg_ligand.pt
3l4x,O=S(=O)([O-])OC(C(O)C[S+]1CC(O)C(O)C1CO)C(O)C(O)C(O)CO,6.89,3l4x_protein.pt,3l4x_pocket.pt,3l4x_ligand.pt
3dgo,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.74,3dgo_protein.pt,3dgo_pocket.pt,3dgo_ligand.pt
3f8e,COC1=CC(O)=C(C=C1C(O)CC(C)C)CCC(=O)[O-],7.23,3f8e_protein.pt,3f8e_pocket.pt,3f8e_ligand.pt
1c5c,CC(=O)NC1=CC=C2C(=CC=CC2=C1S(=O)(=O)[O-])S(=O)(=O)[O-],6.96,1c5c_protein.pt,1c5c_pocket.pt,1c5c_ligand.pt
5ljt,NS(=O)(=O)C1C=CC(=CC=1)OCC1=CN(N=N1)C1C=CC=CC=1,8.92,5ljt_protein.pt,5ljt_pocket.pt,5ljt_ligand.pt
2j62,CC(C)C(=O)NC1C2=NC(=CN2C(CO)C(O)C1O)CCC1C=CC=CC=1,11.34,2j62_protein.pt,2j62_pocket.pt,2j62_ligand.pt
5eqy,C[NH+]1CCC[NH+](CC1)CC1C=CC(=CC=1)C1C=CC(=CC=1C#N)C[NH+]1CCC[NH+](C)CC1,8.0,5eqy_protein.pt,5eqy_pocket.pt,5eqy_ligand.pt
4gj3,N#CC1=CC(Cl)=C(C(=O)NC2C=CN=C(C=2)NC(=O)C2CC2F)C(Cl)=C1,8.85,4gj3_protein.pt,4gj3_pocket.pt,4gj3_ligand.pt
4flp,CC1=NN=C2C(CC(=O)OC(C)(C)C)N=C(C3C=CC(Cl)=CC=3)C3C(C)=C(C)SC=3N12,6.72,4flp_protein.pt,4flp_pocket.pt,4flp_ligand.pt
3zt3,O=C([O-])C1=C(C=CC2OCOC=21)C=C1C2=CC=CC=C2CC1O,2.86,3zt3_protein.pt,3zt3_pocket.pt,3zt3_ligand.pt
4jyb,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)NP(=O)(=O)=O)C(O)C1O,6.96,4jyb_protein.pt,4jyb_pocket.pt,4jyb_ligand.pt
4rlt,O=C1C2C=CC(O)=CC=2OC(C2C=C(O)C(O)=CC=2)C1O,4.96,4rlt_protein.pt,4rlt_pocket.pt,4rlt_ligand.pt
2r9x,O=C([O-])CC(CC1=CC=CC2=CC=CC=C21)N1C(=O)C2C=CC(=CC=2C1=O)C(=O)[O-],4.85,2r9x_protein.pt,2r9x_pocket.pt,2r9x_ligand.pt
3p8p,CCCCC(=[NH2+])NCCCC([NH3+])C(=O)[O-],4.55,3p8p_protein.pt,3p8p_pocket.pt,3p8p_ligand.pt
1iy7,NS(=O)(=O)NC(CC1C=CC=CC=1)C(=O)[O-],6.19,1iy7_protein.pt,1iy7_pocket.pt,1iy7_ligand.pt
3g0i,CCCC(CCC)C(N)=O,3.6,3g0i_protein.pt,3g0i_pocket.pt,3g0i_ligand.pt
2hxm,O=C1C=C(C=NOCCON=CC2C=CC(=CC=2)C(=O)[O-])NC(=O)N1,5.22,2hxm_protein.pt,2hxm_pocket.pt,2hxm_ligand.pt
1dud,O=C1C=CN(C(=O)N1)C1CC(O)C(CO[P](=O)(=O)OP(=O)(=O)=O)O1,4.82,1dud_protein.pt,1dud_pocket.pt,1dud_ligand.pt
6b59,NC1=NC=NC2=C1N=CN2CC(=O)NCCC1C=CC(=CC=1)S(N)(=O)=O,8.09,6b59_protein.pt,6b59_pocket.pt,6b59_ligand.pt
5nk3,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)NC2CC[NH2+]C2)S1,7.42,5nk3_protein.pt,5nk3_pocket.pt,5nk3_ligand.pt
4omk,CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,4.4,4omk_protein.pt,4omk_pocket.pt,4omk_ligand.pt
3pwm,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,9.1,3pwm_protein.pt,3pwm_pocket.pt,3pwm_ligand.pt
4bt4,CC(O)C(C)(O)C(=O)[O-],3.34,4bt4_protein.pt,4bt4_pocket.pt,4bt4_ligand.pt
2i19,O=P(=O)(=O)C(CNC1C=CC=CN=1)P(=O)(=O)=O,7.8,2i19_protein.pt,2i19_pocket.pt,2i19_ligand.pt
2xdx,COC1=CC=CC=C1C1=CC(Cl)=NC(N)=N1,6.46,2xdx_protein.pt,2xdx_pocket.pt,2xdx_ligand.pt
1g7g,CCCCCNC(=O)C(CC1C=CC(OCC(=O)[O-])=C(C=1)C(=O)[O-])NC(=O)C(CC1C=CC=CC=1)NC(=O)CCC(=O)[O-],6.6,1g7g_protein.pt,1g7g_pocket.pt,1g7g_ligand.pt
3h5b,COC1C=CC(=CC=1)S(=O)(=O)N(CC1CCC(=O)N1)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CC2CCOC2C1,10.0,3h5b_protein.pt,3h5b_pocket.pt,3h5b_ligand.pt
4a6s,OCC1OC(SC2C=CC3C=CC=CC=3C=2)C(O)C(O)C1O,5.2,4a6s_protein.pt,4a6s_pocket.pt,4a6s_ligand.pt
4m2u,CC[NH2+]C1CC(C)S(=O)(=O)C2SC(=CC=21)S(N)(=O)=O,8.04,4m2u_protein.pt,4m2u_pocket.pt,4m2u_ligand.pt
3g31,CC(C(=O)[O-])N1C(=O)C2C3CCC(C3)C2C1=O,2.89,3g31_protein.pt,3g31_pocket.pt,3g31_ligand.pt
5y94,CNC1=CC2ON=C(C)C=2C=C1NS(=O)(=O)C1=CC(Br)=CC=C1OC,6.79,5y94_protein.pt,5y94_pocket.pt,5y94_ligand.pt
4qge,COC1C=CC(=CC=1)NC(=O)C(C)NC1=NC2=C(C=NN2C2CCCC2)C(=O)N1,9.3,4qge_protein.pt,4qge_pocket.pt,4qge_ligand.pt
1xhy,CC(C)C1C[NH2+]C(C(=O)[O-])C1CC(=O)[O-],6.18,1xhy_protein.pt,1xhy_pocket.pt,1xhy_ligand.pt
3npc,CC1C=CC(=CC=1)N1N=C(C=C1NC(=O)NC1=CC=C(OCC[NH+]2CCOCC2)C2=CC=CC=C12)C(C)(C)C,8.34,3npc_protein.pt,3npc_pocket.pt,3npc_ligand.pt
6gl9,N#CC=CC1=CC=CC(=C1)C1=NC2=CN=C3NC=CC3=C2N1C1CCCCC1,6.87,6gl9_protein.pt,6gl9_pocket.pt,6gl9_ligand.pt
5eng,CCOC1=CC=C(C=C1NC(=O)C1=CC=C(OCC[NH+]2CC[NH2+]CC2)C(=C1)C(=O)OC)C(C)=O,5.85,5eng_protein.pt,5eng_pocket.pt,5eng_ligand.pt
1g53,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC1C(F)=CC=CC=1F,9.04,1g53_protein.pt,1g53_pocket.pt,1g53_ligand.pt
5cep,CC(C)N1N=C(C=C1C1CC[NH2+]CC1)NC1C=C(C=CN=1)C(F)(F)F,6.84,5cep_protein.pt,5cep_pocket.pt,5cep_ligand.pt
5nw7,[NH3+]NC(=O)C(O)C(O)C(O)COP(=O)(=O)=O,5.77,5nw7_protein.pt,5nw7_pocket.pt,5nw7_ligand.pt
5chk,O=C1C=CC(C=C1)=NNC1C=CC=CC=1C(=O)[O-],5.39,5chk_protein.pt,5chk_pocket.pt,5chk_ligand.pt
1hpo,N#CC1C=CC(=CC=1)S(=O)(=O)NC1C=CC=C(C=1)C(C1C(=O)OC2CCCCCCC=2C=1O)C1CC1,9.22,1hpo_protein.pt,1hpo_pocket.pt,1hpo_ligand.pt
4aje,O=C([O-])C(OC1C=CC(Br)=CC=1)C(=O)[O-],3.68,4aje_protein.pt,4aje_pocket.pt,4aje_ligand.pt
1oe8,[NH3+]C(CCC(=O)NC(CS)C(=O)NCC(=O)[O-])C(=O)[O-],5.52,1oe8_protein.pt,1oe8_pocket.pt,1oe8_ligand.pt
2nn1,NS(=O)(=O)C1C=CC(=CC=1)CCC(=O)[O-],5.82,2nn1_protein.pt,2nn1_pocket.pt,2nn1_ligand.pt
1rmz,COC1C=CC(=CC=1)S(=O)(=O)N(CC(=O)NO)CC(C)C,8.0,1rmz_protein.pt,1rmz_pocket.pt,1rmz_ligand.pt
5g17,O=C(CCCCCCC(O)(O)C(F)(F)F)NC1C=CC=CC=1,6.7,5g17_protein.pt,5g17_pocket.pt,5g17_ligand.pt
3nox,CC1=NC2=NC(=CN2C(C2=CC=C(Cl)C=C2Cl)=C1C[NH3+])C(=O)N1CCOCC1,8.66,3nox_protein.pt,3nox_pocket.pt,3nox_ligand.pt
5os2,[NH3+]CC1C=CC=CC=1N1CCC(CO)CC1,2.74,5os2_protein.pt,5os2_pocket.pt,5os2_ligand.pt
2pvk,N#CC1C=NN2C(=NC(=NC=12)NCC1C=CC(Cl)=CC=1)NC1C=CC=CC=1,8.3,2pvk_protein.pt,2pvk_pocket.pt,2pvk_ligand.pt
4asj,CN(C1C(=N)N(CC2C=CC=CC=2)C(=O)NC1=O)S(=O)(=O)C1C=CC=CC=1,7.55,4asj_protein.pt,4asj_pocket.pt,4asj_ligand.pt
1pph,CC1C=CC(=CC=1)S(=O)(=O)NC(CC1=CC=CC(=C1)[C+](=N)=N)C(=O)N1CCCCC1,5.92,1pph_protein.pt,1pph_pocket.pt,1pph_ligand.pt
3vhk,CC1OC(=NC=1COC1C=C(C=CC=1)CO)C1C=CC=CC=1,4.6,3vhk_protein.pt,3vhk_pocket.pt,3vhk_ligand.pt
1hvl,CC(C)C(NC(=O)N(C)CC1=CC=CC=N1)C(=O)NC(CC1C=CC=CC=1)C(O)C(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)N(C)CC1=CC=CC=N1)C(C)C,9.95,1hvl_protein.pt,1hvl_pocket.pt,1hvl_ligand.pt
3su4,CCC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(C)(C)CCCCC1=CC=CC3=CN(C=C31)C(=O)O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1,6.26,3su4_protein.pt,3su4_pocket.pt,3su4_ligand.pt
3owj,CC1=C2C=CNC(=O)C2=C(C)C2C3=CC(O)=CC=C3NC=21,6.07,3owj_protein.pt,3owj_pocket.pt,3owj_ligand.pt
2pvl,CC[NH+]1CCN(CC1)C1=NC2=C(C#N)C=NN2C(=N1)NC1C=CC=CC=1,7.62,2pvl_protein.pt,2pvl_pocket.pt,2pvl_ligand.pt
5meh,OCC1[NH2+]CC(O)C(O)C1O,6.32,5meh_protein.pt,5meh_pocket.pt,5meh_ligand.pt
3tt4,CC1=CC=C(S1)C1C=CC(=CC=1)CCC(=O)NC(CCC(=O)[O-])C(N)=O,8.28,3tt4_protein.pt,3tt4_pocket.pt,3tt4_ligand.pt
3gc4,CNC1=NC2=CC3C(=O)N[C+](=N)NC=3C(CC[NH2+]CC3C=CC=CC=3)=C2N1,7.6,3gc4_protein.pt,3gc4_pocket.pt,3gc4_ligand.pt
2aj8,CN1C(=O)C2=C(N=C(N3CC[NH2+]CC3)N2CC2C=CC=CC=2)N(C)C1=O,6.2,2aj8_protein.pt,2aj8_pocket.pt,2aj8_ligand.pt
2xde,CC1NC2=CC=CC=C2C=1CC(=O)NC(CC1C=CC=CC=1)C(=O)N(C)C1C=CC=CC=1,5.47,2xde_protein.pt,2xde_pocket.pt,2xde_ligand.pt
5fhn,CC1=CC=CC(=C1)CN1N=NC(=N1)C1ONC(=O)C=1CC([NH3+])C(=O)[O-],5.9,5fhn_protein.pt,5fhn_pocket.pt,5fhn_ligand.pt
1utl,[NH3+]CCCC1C=CC=CC=1,2.47,1utl_protein.pt,1utl_pocket.pt,1utl_ligand.pt
2p95,O=C(NC1CCCC1NC(=O)C1=CC=C(Cl)S1)C1C=CC(=CC=1)N1C=CC=CC1=O,9.37,2p95_protein.pt,2p95_pocket.pt,2p95_ligand.pt
5c8n,COC1(CC[NH3+])CCN(CC1)C1N=CC=C(N=1)NC1C=C2C(=CN=1)N=C(C)N2C(C)C,7.55,5c8n_protein.pt,5c8n_pocket.pt,5c8n_ligand.pt
6ge7,CCCCCCCCCCCCCCCCCCC(=O)[O-],6.06,6ge7_protein.pt,6ge7_pocket.pt,6ge7_ligand.pt
4rpn,OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,6.96,4rpn_protein.pt,4rpn_pocket.pt,4rpn_ligand.pt
1xka,NC(=[NH2+])C1=CC=CC(=C1)C1C=CC=C(C=1)C(CCCNC1C=CN=CC=1)C(=O)[O-],6.88,1xka_protein.pt,1xka_pocket.pt,1xka_ligand.pt
2vw2,O=S(=O)([O-])CC[NH2+]C1CCCCC1,3.3,2vw2_protein.pt,2vw2_pocket.pt,2vw2_ligand.pt
4zt8,N=[C+]1CC=NC(=O)N1,4.39,4zt8_protein.pt,4zt8_pocket.pt,4zt8_ligand.pt
5nn5,OCC1[NH2+]CC(O)C(O)C1O,5.47,5nn5_protein.pt,5nn5_pocket.pt,5nn5_ligand.pt
2zc9,[NH3+]C(CC1C=CC=CC=1)C(=O)N1CCCC1C(=O)NCC1C=CC=C(Cl)C=1,6.74,2zc9_protein.pt,2zc9_pocket.pt,2zc9_ligand.pt
6g2m,O=C1NC(=O)N(C=C1C=CCP(=O)(=O)=O)C1CC2OC(OCC2O1)(C1C=CC=CC=1)P(=O)(=O)=O,7.82,6g2m_protein.pt,6g2m_pocket.pt,6g2m_ligand.pt
4lm4,O=C1NC=NC2=CC=CC=C12,3.04,4lm4_protein.pt,4lm4_pocket.pt,4lm4_ligand.pt
4ge1,[NH3+]CCC1=CNC2C=CC=CC=21,6.43,4ge1_protein.pt,4ge1_pocket.pt,4ge1_ligand.pt
4w97,CC(C)(CO[P](=O)(=O)O[P](=O)(=O)OCC1OC(C(O)C1OP(=O)(=O)=O)N1C=NC2C1=NC=NC=2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1C(=O)CCC2(C)C(=O)CCC12,7.1,4w97_protein.pt,4w97_pocket.pt,4w97_ligand.pt
3uz5,ClC1=CC2N=NNC=2C(Cl)=C1,7.22,3uz5_protein.pt,3uz5_pocket.pt,3uz5_ligand.pt
4u70,[NH3+]C(CC1CCCCC1)P(=O)(=O)=O,5.02,4u70_protein.pt,4u70_pocket.pt,4u70_ligand.pt
4q90,CC1C=CN=C(S)C=1,2.15,4q90_protein.pt,4q90_pocket.pt,4q90_ligand.pt
1ppl,COC(=O)C(CC1C=CC=CC=1)O[P](=O)(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C,8.55,1ppl_protein.pt,1ppl_pocket.pt,1ppl_ligand.pt
2vnp,C[NH+](C)CCO[P](=O)(=O)OP(=O)(=O)=O,9.92,2vnp_protein.pt,2vnp_pocket.pt,2vnp_ligand.pt
2q63,CC1C(=CC=CC=1O)C(=O)NC(CSC1C=CC=CC=1)C(O)C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C,7.18,2q63_protein.pt,2q63_pocket.pt,2q63_ligand.pt
3el4,CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C(CC1C=CC=CC=1)NC(=O)C(CC(N)=O)NC(=O)C1C=CC2=CC=CC=C2N=1,7.17,3el4_protein.pt,3el4_pocket.pt,3el4_ligand.pt
3bkk,O=C(CCC(O)(O)C(CC1C=CC=CC=1)NC(=O)C1C=CC=CC=1)NC(CC1C=CC=CC=1)C(=O)[O-],6.08,3bkk_protein.pt,3bkk_pocket.pt,3bkk_ligand.pt
4dko,C[NH+]1C(C)(C)CC(CC1(C)C)NC(=O)C(=O)NC1=CC=C(Cl)C(F)=C1,6.52,4dko_protein.pt,4dko_pocket.pt,4dko_ligand.pt
4mq6,COC1=CC=C2C(=C1)C=C(C(=O)NS(=O)(=O)C1C=CC(C)=CC=1)N2CC(=O)[O-],6.47,4mq6_protein.pt,4mq6_pocket.pt,4mq6_ligand.pt
2zft,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)C1CCCN1C(=O)C[NH2+]C1CCCC1,6.52,2zft_protein.pt,2zft_pocket.pt,2zft_ligand.pt
2ovv,COC1=CC2N=CN=C(C=2C=C1OC)N1CCC(C1)OC1=CC=C2C=CC=CC2=C1,7.92,2ovv_protein.pt,2ovv_pocket.pt,2ovv_ligand.pt
4ih7,CC(C)(C)C1C=CC=C(C=1)C1C=CC=NC1=O,5.24,4ih7_protein.pt,4ih7_pocket.pt,4ih7_ligand.pt
6ey9,CC1C=CC=C(C=1)CC1=NNC2=CC(O)=C(C=C21)C(=O)N(C)CC1C=CC(Cl)=CC=1,5.91,6ey9_protein.pt,6ey9_pocket.pt,6ey9_ligand.pt
1qb1,CN1C=CN=C1C1C=CC=C(C=1)OC1=NC(OC2=CC(=CC=C2O)C(N)=[NH2+])=C(F)C(=C1F)N1CCCC(C1)C(=O)[O-],6.77,1qb1_protein.pt,1qb1_pocket.pt,1qb1_ligand.pt
4l4z,CC(=O)C(O)(O)C(O)COP(=O)(=O)=O,5.68,4l4z_protein.pt,4l4z_pocket.pt,4l4z_ligand.pt
2qi1,COC1C=CC=C(C=1)S(=O)(=O)N(CC1=CC=CS1)CC(O)C(CC1C=CC=CC=1)NC(=O)C1C=C(O)C(O)=CC=1,7.3,2qi1_protein.pt,2qi1_pocket.pt,2qi1_ligand.pt
5nxi,NS(=O)(=O)C1C=CC(=CC=1)NS(=O)(=O)C1C=CC(Br)=CC=1,6.66,5nxi_protein.pt,5nxi_pocket.pt,5nxi_ligand.pt
1fcx,CC1(C)CCC(C)(C)C2C=C(C=CC=21)C(O)C1C=CC2C=C(C=CC=2C=1)C(=O)[O-],7.19,1fcx_protein.pt,1fcx_pocket.pt,1fcx_ligand.pt
4fzj,CC1=NN(C)C2SC(=CC=21)C(=O)[O-],3.15,4fzj_protein.pt,4fzj_pocket.pt,4fzj_ligand.pt
3fvl,O=C(CO)CC(CC1C=CC=CC=1)C(=O)[O-],6.07,3fvl_protein.pt,3fvl_pocket.pt,3fvl_ligand.pt
4wa9,CNC(=O)C1=CC=CC=C1SC1=CC=C2C(=C1)NN=C2C=CC1C=CC=CN=1,8.42,4wa9_protein.pt,4wa9_pocket.pt,4wa9_ligand.pt
1avn,[NH3+]CCC1=CN=CN1,3.9,1avn_protein.pt,1avn_pocket.pt,1avn_ligand.pt
3pd8,O=C1NOC2=C1CC[NH2+]C2C(=O)[O-],6.46,3pd8_protein.pt,3pd8_pocket.pt,3pd8_ligand.pt
4cra,NC1C=CC2C(=CC=CC=2CNC(=O)C(CC2C=CC=CC=2)NC(=O)C2=CC=C3NC(=O)C=C(O)C3=C2)N=1,7.22,4cra_protein.pt,4cra_pocket.pt,4cra_ligand.pt
3cyw,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,7.77,3cyw_protein.pt,3cyw_pocket.pt,3cyw_ligand.pt
1q7a,CCCCC1C(=O)N(C2C=CC=CC=2)N(C1=O)C1C=CC(O)=CC=1,7.19,1q7a_protein.pt,1q7a_pocket.pt,1q7a_ligand.pt
1hih,CC(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C[NH+](CC1CCCCC1)NC(=O)C(NC(C)=O)C(C)C)C(C)C,8.05,1hih_protein.pt,1hih_pocket.pt,1hih_ligand.pt
6cbf,O=C([O-])C1=CC(=CC=C1OC1C=CC=CC=1)C1C=NNC=1,5.17,6cbf_protein.pt,6cbf_pocket.pt,6cbf_ligand.pt
3pwd,CC1=CC(=O)OC2=CC3C(=CC=C(O)C=3[N+](=O)[O-])C=C12,6.66,3pwd_protein.pt,3pwd_pocket.pt,3pwd_ligand.pt
6g39,NC1=NC=NC2=C1C(I)=CN2C1OC(CO)C(O)C1O,8.34,6g39_protein.pt,6g39_pocket.pt,6g39_ligand.pt
4k6i,C=C(C1C=CC(=CC=1)C(=O)[O-])C1C=C2C(=CC=1C)C(C)(C)CCC2(C)C,6.2,4k6i_protein.pt,4k6i_pocket.pt,4k6i_ligand.pt
4wkp,NC1N=CN=C2C(=CNC=12)C[NH+]1CC(O)C(CCSCCOCCO)C1,9.55,4wkp_protein.pt,4wkp_pocket.pt,4wkp_ligand.pt
6elp,OC1=CC(O)=C(C=C1C1=CC=NN1C1C=CC=CC=1Cl)CCC1C=CC=CN=1,6.63,6elp_protein.pt,6elp_pocket.pt,6elp_ligand.pt
5wcm,NS(=O)(=O)C1C=CC(=CC=1)[N+](=O)[O-],4.0,5wcm_protein.pt,5wcm_pocket.pt,5wcm_ligand.pt
4q7s,CC1C=CN(O)C(=S)C=1,4.42,4q7s_protein.pt,4q7s_pocket.pt,4q7s_ligand.pt
4ty7,NC1NN=C2C=C(C=CC=12)C1N=C(NC=1Cl)C(CC1C=CC=CC=1)NC(=O)C1CCC(C[NH3+])CC1,9.52,4ty7_protein.pt,4ty7_pocket.pt,4ty7_ligand.pt
4dq2,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OCC=CCCC2SCC3NC(=O)NC32)C(O)C1O,7.52,4dq2_protein.pt,4dq2_pocket.pt,4dq2_ligand.pt
3lvw,[NH3+]C(CCC(=O)NC(CS)C(=O)NCC(=O)[O-])C(=O)[O-],2.67,3lvw_protein.pt,3lvw_pocket.pt,3lvw_ligand.pt
4x5r,C[NH+]1CCN(CC1)C1C(=O)C(=O)C=1NC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(Cl)=C1,7.85,4x5r_protein.pt,4x5r_pocket.pt,4x5r_ligand.pt
1c84,O=C([O-])C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)[O-],5.0,1c84_protein.pt,1c84_pocket.pt,1c84_ligand.pt
4y8x,COC(=O)NC1C=CC(=CC=1)C1NC(=NC=1Cl)C(CC1C=CC=CC=1)NC(=O)C=CC1=CC(Cl)=CC=C1N1C=NN=N1,8.43,4y8x_protein.pt,4y8x_pocket.pt,4y8x_ligand.pt
6b1k,CN1C=CC2C=CC(=NC=2C1=O)C1=CN(N=N1)C1C=CC(O)=CC=1,6.67,6b1k_protein.pt,6b1k_pocket.pt,6b1k_ligand.pt
2xab,CC(C)C1=CC(C(=O)N2C=C3C=CC=CC3=C2)=C(O)C=C1O,9.27,2xab_protein.pt,2xab_pocket.pt,2xab_ligand.pt
4jz1,N=[C+](=N)C1C=CC(=CC=1)OC1=CC=C(NS(=O)(=O)C2C=CC(F)=CC=2)C(=N1)OC1C=CC(=CC=1)[C+](=N)=N,6.7,4jz1_protein.pt,4jz1_pocket.pt,4jz1_ligand.pt
4io5,CC([NH3+])C(=O)[O-],5.03,4io5_protein.pt,4io5_pocket.pt,4io5_ligand.pt
4aqh,CC(C)(C)OC(=O)N1CC(C1)N=[C+]1NC(=O)C2=CC=CN=C2N1,6.54,4aqh_protein.pt,4aqh_pocket.pt,4aqh_ligand.pt
3ta0,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,3.47,3ta0_protein.pt,3ta0_pocket.pt,3ta0_ligand.pt
4pzv,CC1(C)NC2N=C(N)NC(=O)C=2N=C1C(=O)NCC(=O)NCCS(=O)(=O)CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,5.7,4pzv_protein.pt,4pzv_pocket.pt,4pzv_ligand.pt
3lpl,CCO[P](=O)(=O)OP(=O)(=O)=O,5.62,3lpl_protein.pt,3lpl_pocket.pt,3lpl_ligand.pt
2wca,CCCC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,5.6,2wca_protein.pt,2wca_pocket.pt,2wca_ligand.pt
5ipj,CC1NC(=O)C2C=C(NC=21)C1=CC=CC2C(=O)N(C)[C+](=NC(C)(C)C)NC=21,8.89,5ipj_protein.pt,5ipj_pocket.pt,5ipj_ligand.pt
6gnm,O=C(C1=CC=C(O)C=C1O)C1=CC=C(O)C=C1O,4.26,6gnm_protein.pt,6gnm_pocket.pt,6gnm_ligand.pt
3b92,CC#CCOC1C=CC(=CC=1)S(=O)(=O)CCCS,8.0,3b92_protein.pt,3b92_pocket.pt,3b92_ligand.pt
3arq,CC(=O)C1(O)CC2C(O)=C3C(=O)C4C=CC=CC=4C(=O)C3=C(O)C=2C(C1)OC1CC([NH3+])C(O)C(C)O1,6.4,3arq_protein.pt,3arq_pocket.pt,3arq_ligand.pt
4m0f,COC1=CC(=CC(OC)=C1OC)C1=CC2OC3(C)CCC4(O)C(C)(C)C=CC(=O)C4(C)C3(O)CC=2C(=O)O1,8.77,4m0f_protein.pt,4m0f_pocket.pt,4m0f_ligand.pt
4nja,COC1C=C(C2C=CC3C4=C(C=CC=1C=24)C(=CC=3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],6.22,4nja_protein.pt,4nja_pocket.pt,4nja_ligand.pt
1gnn,CC(=O)NC(CC1CCCCC1)C(O)CC(C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=[NH2+])C(N)=O)C(C)C,5.68,1gnn_protein.pt,1gnn_pocket.pt,1gnn_ligand.pt
2q8h,O=C([O-])C(Cl)Cl,3.0,2q8h_protein.pt,2q8h_pocket.pt,2q8h_ligand.pt
1m2r,NC1=CC=C(N)C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C=21,6.46,1m2r_protein.pt,1m2r_pocket.pt,1m2r_ligand.pt
6fuh,CC(C)C(NC1=NC(NC2C=CC=C(C=2)C[NH3+])=C2C=CC=CC2=N1)C(=O)[O-],3.77,6fuh_protein.pt,6fuh_pocket.pt,6fuh_ligand.pt
1ogx,CC12CCC3C4C=CC(O)=CC=4C=CC=3C1CCC2=O,6.09,1ogx_protein.pt,1ogx_pocket.pt,1ogx_ligand.pt
2cgr,N#CC1C=CC(=CC=1)NC(NC(C1C=CC=CC=1)C1C=CC=CC=1)=[NH+]CC(=O)[O-],7.28,2cgr_protein.pt,2cgr_pocket.pt,2cgr_ligand.pt
5x74,O=C1C2=CC=CC=C2NC(C2C=CC=CC=2F)N1CC[NH+]1CCC(CC1)N1C(=O)C2=CC=CC=C2NC1C1=CC=CC=C1F,8.64,5x74_protein.pt,5x74_pocket.pt,5x74_ligand.pt
5bwc,ON=CC1=CCC=CN1CCCCCCCN1C=CC=CC1C=NO,7.21,5bwc_protein.pt,5bwc_pocket.pt,5bwc_ligand.pt
5mz8,O=C([O-])CCC(=O)[O-],2.31,5mz8_protein.pt,5mz8_pocket.pt,5mz8_ligand.pt
3mhm,NS(=O)(=O)C1C=CC(=CC=1)CNC1=NC=NC(NCC2C=CC=CC=2)=C1[N+](=O)[O-],7.0,3mhm_protein.pt,3mhm_pocket.pt,3mhm_ligand.pt
1u0g,O=P(=O)(=O)OCC(O)C(O)CO,6.15,1u0g_protein.pt,1u0g_pocket.pt,1u0g_ligand.pt
1mmr,CC(C)CC(CS(C)(=N)=N)C(=O)NC1CC2=CN(CCCCCCNC1=O)C1=CC=CC=C21,5.4,1mmr_protein.pt,1mmr_pocket.pt,1mmr_ligand.pt
4x5z,N#CC1=CC2C=C(C=CC=2N1)C[NH+]1CCC(CC1)NC1=NC=NC2SC(=CC=21)CC(F)(F)F,7.63,4x5z_protein.pt,4x5z_pocket.pt,4x5z_ligand.pt
2q5k,CC1=CC=CC(C)=C1OCC(=O)NC(CC1C=CC=CC=1)C(O)CC(CC1C=CC=CC=1)NC(=O)C(C(C)C)N1CCCNC1=O,11.3,2q5k_protein.pt,2q5k_pocket.pt,2q5k_ligand.pt
3i60,CC1=CN=C(N=C1C1=CNC(=C1)C(=O)NC(CO)C1C=CC=CC=1)NC1=CC=CC=C1Cl,8.7,3i60_protein.pt,3i60_pocket.pt,3i60_ligand.pt
4und,CN1N=CN=C1C1C2=NNC(=O)C3=CC(F)=CC(NC1C1C=CC(F)=CC=1)=C32,8.96,4und_protein.pt,4und_pocket.pt,4und_ligand.pt
5cbs,[NH3+]C(CC1C=CC=C(C=1)C1C=C(O)C=CC=1)C(=O)[O-],5.41,5cbs_protein.pt,5cbs_pocket.pt,5cbs_ligand.pt
5d48,CC1=NNC(C)=C1C1C2C=C(C=CC=2N(CCC(=O)[O-])C=1C1C=C(C=CC=1)OC(C)C)C1CC1,7.52,5d48_protein.pt,5d48_pocket.pt,5d48_ligand.pt
3h78,NC1C=CC=CC=1C(=O)[O-],4.24,3h78_protein.pt,3h78_pocket.pt,3h78_ligand.pt
2x2r,CCC(C)C(SCC([NH3+])C(=O)[O-])(C1C=CC=CC=1)C1C=CC=CC=1,7.12,2x2r_protein.pt,2x2r_pocket.pt,2x2r_ligand.pt
4xya,NC1=NC2N=CNC=2C(=N1)C1=CC(Br)=CC2C=COC=21,5.86,4xya_protein.pt,4xya_pocket.pt,4xya_ligand.pt
4gzt,CCC(CC)OC1CC(CC([NH3+])C1NC(C)=O)C(=O)[O-],7.77,4gzt_protein.pt,4gzt_pocket.pt,4gzt_ligand.pt
3rf5,O=C([O-])C1=CC=CC=C1NCC1=CC=CO1,5.63,3rf5_protein.pt,3rf5_pocket.pt,3rf5_ligand.pt
3gst,[NH3+]C(CCC(=O)NC(CSC1C2=CC=CC=C2C2=CC=CC=C2C1O)C(=O)NCC(=O)[O-])C(=O)[O-],6.72,3gst_protein.pt,3gst_pocket.pt,3gst_ligand.pt
3n7o,C[P](=O)(=O)C(C(=O)NC=CC1C=CC(F)=C(F)C=1)C1=CSC2C=CC(Cl)=CC=21,7.14,3n7o_protein.pt,3n7o_pocket.pt,3n7o_ligand.pt
3vvy,CCN1C2C=C(N)C=CC=2C2=CC=C(N)C=C2C1C1C=CC=CC=1,4.84,3vvy_protein.pt,3vvy_pocket.pt,3vvy_ligand.pt
2ole,[NH3+]C(CC(=O)N1CCCCCN1C(=O)C1C=CC=CC=1)CC1=CC(F)=C(F)C=C1F,7.25,2ole_protein.pt,2ole_pocket.pt,2ole_ligand.pt
5ii2,O=C1C=C(OC2C=C(O)C=C(O)C=21)C1C=CC(O)=C(O)C=1,4.89,5ii2_protein.pt,5ii2_pocket.pt,5ii2_ligand.pt
2v54,CC1=CN(C(=O)NC1=O)C1CC(O)C(CO[P](=O)(=O)OP(=O)(=O)=O)O1,4.6,2v54_protein.pt,2v54_pocket.pt,2v54_ligand.pt
5kz0,CC1=NN(C)C=C1C1C=NC(N)=C(C=1)OC(C)C1C=C(F)C=CC=1C(=O)N(C)C,7.66,5kz0_protein.pt,5kz0_pocket.pt,5kz0_ligand.pt
4ndu,COC1OC(CO)C(O)C(O)C1O,2.74,4ndu_protein.pt,4ndu_pocket.pt,4ndu_ligand.pt
5n1z,N#CC1C=NN2C3=CC(=NC=12)N1CC(CC1CO)OCC=CCOC1C=C(C=C2CCC(=O)NC=12)N3,8.19,5n1z_protein.pt,5n1z_pocket.pt,5n1z_ligand.pt
4lbu,CNC1=NC2C=C3C(=O)N[C+](=N)NC3=C(CCC3OC(OC)C(OC)C3O)C=2N1,6.56,4lbu_protein.pt,4lbu_pocket.pt,4lbu_ligand.pt
6fnf,CC1C=CC(=CC=1NC1=NC(=NC2=C1C=NN2C)C1C=CC=NC=1)C(=O)NC1=CC=CC(=C1)C(F)(F)F,7.89,6fnf_protein.pt,6fnf_pocket.pt,6fnf_ligand.pt
1oyq,CCOC(=O)CON=C(C1=CC=CC=N1)C1(CC1)C1C=CC2=C(C=1)N=C(CNC1C=CC(=CC=1)[C+](=N)=N)N2C,6.96,1oyq_protein.pt,1oyq_pocket.pt,1oyq_ligand.pt
4qem,O=C([O-])C=CC1C=CC(O)=CC=1,7.8,4qem_protein.pt,4qem_pocket.pt,4qem_ligand.pt
4jx9,O=C1C=CN(C(=O)N1)C1OC(CO)C(O)C1O,8.62,4jx9_protein.pt,4jx9_pocket.pt,4jx9_ligand.pt
2wn9,COC1C=C(O)C=CC=1C=C1CCCN=C1C1C=CC=NC=1,8.52,2wn9_protein.pt,2wn9_pocket.pt,2wn9_ligand.pt
1y6r,CSCC1[NH2+]C(C2=CNC3C(N)=NC=NC=32)C(O)C1O,10.11,1y6r_protein.pt,1y6r_pocket.pt,1y6r_ligand.pt
3l59,CC1(C)N[C+](=N)N(CC2C=C(Cl)C=CC=2)C1=O,3.7,3l59_protein.pt,3l59_pocket.pt,3l59_ligand.pt
4wiv,CC1=NOC(C)=C1C1C=CC(=CC=1)C1NC2C=NC=C[N+]=2C=1NC(C)(C)C,6.26,4wiv_protein.pt,4wiv_pocket.pt,4wiv_ligand.pt
2vj8,[NH3+]C(CC1C=CC(=CC=1)OCC1C=CC=CC=1)CN(O)C(=O)CCCCC(=O)[O-],8.7,2vj8_protein.pt,2vj8_pocket.pt,2vj8_ligand.pt
4zcs,C[N+](C)(C)CCO[P](=O)(=O)O[P](=O)(=O)OCC1OC(C(O)C1O)N1C=CC(=N)NC1=O,4.33,4zcs_protein.pt,4zcs_pocket.pt,4zcs_ligand.pt
4c2v,CC[NH+](CCO)CCCOC1C=CC2C(=NC=NC=2C=1)NC1C=C(CC(=O)NC2C=C(F)C=CC=2)NN=1,9.0,4c2v_protein.pt,4c2v_pocket.pt,4c2v_ligand.pt
3o9e,CCC(CC)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,11.3,3o9e_protein.pt,3o9e_pocket.pt,3o9e_ligand.pt
6el5,C#CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2Cl)=NC2C1=NC(F)=NC=2N,6.88,6el5_protein.pt,6el5_pocket.pt,6el5_ligand.pt
2a8g,NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,3.69,2a8g_protein.pt,2a8g_pocket.pt,2a8g_ligand.pt
4rfr,O=C([O-])C1C=C(O)C2=C(O)C3C(=CC=CC=3O)C(O)=C2C=1,6.54,4rfr_protein.pt,4rfr_pocket.pt,4rfr_ligand.pt
5l4j,O=S(=O)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,4.28,5l4j_protein.pt,5l4j_pocket.pt,5l4j_ligand.pt
2jds,CC1=NNC2C=CC(=CC=21)C1C=C(C=NC=1)OCC([NH3+])CC1=CNC2C=CC=CC=21,8.2,2jds_protein.pt,2jds_pocket.pt,2jds_ligand.pt
3ozt,O=C1C=CN(C=C1)C1OC(C=CCNC(=O)C2C=C(C=C(O)C=2O)[N+](=O)[O-])C(O)C1O,4.13,3ozt_protein.pt,3ozt_pocket.pt,3ozt_ligand.pt
3iob,NC1N=CN=C2C=1N=CN2C1OC(CS)C(O)C1O,3.42,3iob_protein.pt,3iob_pocket.pt,3iob_ligand.pt
5irr,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)S)C(O)C1O,5.27,5irr_protein.pt,5irr_pocket.pt,5irr_ligand.pt
1f4x,COC1OC(C)C(NC(=O)C(O)CCO)C(O)C1OC,5.59,1f4x_protein.pt,1f4x_pocket.pt,1f4x_ligand.pt
5o9y,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(C3O)N3C=C(CCCN4C=CC=CC4)N=N3)C2O)C(O)C(O)C1O,5.34,5o9y_protein.pt,5o9y_pocket.pt,5o9y_ligand.pt
4ruy,CCCOC1C=CC(=CC=1)S(N)(=O)=O,7.89,4ruy_protein.pt,4ruy_pocket.pt,4ruy_ligand.pt
4ffs,CCCCSCC1C[NH+](CC2=CNC3C(N)=NC=NC=32)CC1O,10.44,4ffs_protein.pt,4ffs_pocket.pt,4ffs_ligand.pt
3b3x,[NH3+]C(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],3.6,3b3x_protein.pt,3b3x_pocket.pt,3b3x_ligand.pt
5n3v,CC(C)CC(N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1)C(=O)NC[NH3+],4.34,5n3v_protein.pt,5n3v_pocket.pt,5n3v_ligand.pt
4ayu,CC(=O)N1CCCC1C(=O)[O-],4.73,4ayu_protein.pt,4ayu_pocket.pt,4ayu_ligand.pt
4zb8,[NH3+]C(CCC(=O)NC(CSSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-],6.03,4zb8_protein.pt,4zb8_pocket.pt,4zb8_ligand.pt
4b5w,CC(O)C(=O)[O-],3.33,4b5w_protein.pt,4b5w_pocket.pt,4b5w_ligand.pt
4m12,CCOC1C=CC2C=CC=C(C=2C=1)N1C=C(NC(N)=O)C(=N1)C(N)=O,6.05,4m12_protein.pt,4m12_pocket.pt,4m12_ligand.pt
4p6c,O=C(NO)C(O)C(O)COP(=O)(=O)=O,4.0,4p6c_protein.pt,4p6c_pocket.pt,4p6c_ligand.pt
3g34,O=C1C2=C(N=CN1CC1N=NNN=1)SC1CCCCC=12,2.96,3g34_protein.pt,3g34_pocket.pt,3g34_ligand.pt
1j01,O=C1NCCC(OC2OCC(O)C(O)C2O)C1O,6.47,1j01_protein.pt,1j01_pocket.pt,1j01_ligand.pt
2dw7,O=C([O-])C(O)C(O)C(=O)[O-],4.7,2dw7_protein.pt,2dw7_pocket.pt,2dw7_ligand.pt
4q19,CCCC1SC(=NC=1CSC1N=C(N)C=C(N)N=1)C1C=CC(OC)=C(O)C=1,8.05,4q19_protein.pt,4q19_pocket.pt,4q19_ligand.pt
5vb5,CC(C)CCC(=O)NC(CC1C=CC(=CC=1)NC(=O)CCC1C=CC(Cl)=CC=1)C(=O)N1CCC(C)CC1,6.46,5vb5_protein.pt,5vb5_pocket.pt,5vb5_ligand.pt
1ghw,N=[C+](=N)C1C=C2N=C(NC2=CC=1)C1=CC=CC=C1O,4.2,1ghw_protein.pt,1ghw_pocket.pt,1ghw_ligand.pt
3tfu,CC1N=CC(COP(=O)(=O)=O)=C(CN=C2C=CC(CCCO)=NC2=O)C=1O,3.28,3tfu_protein.pt,3tfu_pocket.pt,3tfu_ligand.pt
4o2b,COC1=CC=C2C(=CC1=O)C(CCC1C=C(OC)C(OC)=C(OC)C=12)NC(C)=O,5.74,4o2b_protein.pt,4o2b_pocket.pt,4o2b_ligand.pt
5hcy,CC(C)N1C=C(C(=O)NC2CCOCC2)C2C=NC(=CC=21)NC1=CC=NC(=N1)C1C=NN(C=1)S(=O)(=O)C1CC1,8.92,5hcy_protein.pt,5hcy_pocket.pt,5hcy_ligand.pt
4o97,N=[C+](=N)C1C=C(C=CC=1)COC1C=C(C=C(C=1)C(=O)NC1CCC([NH3+])CC1)OCC1=CC=CC(=C1)[C+](=N)=N,8.52,4o97_protein.pt,4o97_pocket.pt,4o97_ligand.pt
2doo,CN(C)C1=CC=CC2C1=CC=CC=2S(=O)(=O)NCCCCNC(=O)CCS,7.17,2doo_protein.pt,2doo_pocket.pt,2doo_ligand.pt
5tbe,O=C(NC=CN1CCOCC1)C1C=CC2CCC3=CC(=CC=C3C(=O)C=2C=1)NC1=CC(NC(=O)C2=CC=CS2)=C(F)C=C1F,8.97,5tbe_protein.pt,5tbe_pocket.pt,5tbe_ligand.pt
3hkq,NS(=O)(=O)C1OC(CO)C(O)C(O)C1O,5.34,3hkq_protein.pt,3hkq_pocket.pt,3hkq_ligand.pt
3huc,C=CC(=O)NC1C=CC2C(C=1)=NC(=NC=2NC1=CC=NN1)C1C=CC=CC=1,5.99,3huc_protein.pt,3huc_pocket.pt,3huc_ligand.pt
4ht0,CC1=CC(C)=NC(=N1)SC1C(F)=C(F)C(=C(F)C=1F)S(N)(=O)=O,8.0,4ht0_protein.pt,4ht0_pocket.pt,4ht0_ligand.pt
4q7v,CC1C=CC(=S)N(O)C=1,3.59,4q7v_protein.pt,4q7v_pocket.pt,4q7v_ligand.pt
3ies,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)OC(=O)C2=CC=CC(=C2)C2=NOC(=N2)C2=CC=CC=C2F)C(O)C1O,9.92,3ies_protein.pt,3ies_pocket.pt,3ies_ligand.pt
3ryv,CCNC(=O)C1C=CC(=CC=1)S(N)(=O)=O,7.07,3ryv_protein.pt,3ryv_pocket.pt,3ryv_ligand.pt
5i9x,COC1=CC(NC2C3=CC(OC)=C(C=C3N=CC=2C#N)OCCC[NH+]2CC[NH+](C)CC2)=C(Cl)C=C1Cl,7.52,5i9x_protein.pt,5i9x_pocket.pt,5i9x_ligand.pt
4ygf,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,7.68,4ygf_protein.pt,4ygf_pocket.pt,4ygf_ligand.pt
5e2l,[NH3+]C(CC1C=CC=CC=1)C(=O)[O-],4.03,5e2l_protein.pt,5e2l_pocket.pt,5e2l_ligand.pt
3d51,OCC1NC(=NO)C(O)C(O)C1O,4.15,3d51_protein.pt,3d51_pocket.pt,3d51_ligand.pt
3rsx,NC1C=CC2=CC(=CC=C2N=1)C1C=CSC=1,4.41,3rsx_protein.pt,3rsx_pocket.pt,3rsx_ligand.pt
4i8x,O=C([O-])C1C=CC(=NC=1)C1C=CC=CC=1,2.64,4i8x_protein.pt,4i8x_pocket.pt,4i8x_ligand.pt
4epy,O=C(NC1=CCC2NC(CC3=CNC4C=CC=CC=43)=NC=2C1)C1CCC[NH2+]1,3.47,4epy_protein.pt,4epy_pocket.pt,4epy_ligand.pt
4p58,CC1=NN(C)C=C1C1=CC=NN1,4.6,4p58_protein.pt,4p58_pocket.pt,4p58_ligand.pt
5l9l,NC(=O)CCC([NH2+]CC(O)C(O)C(O)C(O)CO)C(=O)[O-],7.1,5l9l_protein.pt,5l9l_pocket.pt,5l9l_ligand.pt
1t32,CN(C(=O)C1=CC2C=CC=CC=2C=C1C(=O)C(C1=CC=CC2C=CC=CC=21)P(=O)(=O)=O)C1CCN(CC1)C(=O)C1C=CC2C=CC=CC=2C=1,7.42,1t32_protein.pt,1t32_pocket.pt,1t32_ligand.pt
3l3n,[NH3+]CCCCC([NH2+]C(CCC1C=CC=CC=1)C(=O)[O-])C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-],8.18,3l3n_protein.pt,3l3n_pocket.pt,3l3n_ligand.pt
5efh,[NH3+]CCC[NH2+]CCCCCC(O)(O)C(F)(F)F,6.1,5efh_protein.pt,5efh_pocket.pt,5efh_ligand.pt
1uw6,C[NH+]1CCCC1C1C=NC=CC=1,7.34,1uw6_protein.pt,1uw6_pocket.pt,1uw6_ligand.pt
5wa8,COC(=O)C(C)N[P](=O)(=O)OCC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,6.23,5wa8_protein.pt,5wa8_pocket.pt,5wa8_ligand.pt
1wvj,[NH3+]C(CC1=CCCCC2ONC(=O)C=21)C(=O)[O-],6.73,1wvj_protein.pt,1wvj_pocket.pt,1wvj_ligand.pt
2r38,NC(=O)C1C=CC(=CC=1)S(=O)(=O)N(CC1C=CC=CC=1)C1C[NH2+]CC1N(CC1C=CC=CC=1)S(=O)(=O)C1C=CC(=CC=1)C(N)=O,7.44,2r38_protein.pt,2r38_pocket.pt,2r38_ligand.pt
3w07,O=C1C=CN(C(=O)N1)C1OC(COP(=O)(=O)=O)C(O)C1O,3.38,3w07_protein.pt,3w07_pocket.pt,3w07_ligand.pt
4io4,[NH3+]C(CO)C(=O)[O-],4.61,4io4_protein.pt,4io4_pocket.pt,4io4_ligand.pt
4etz,NC1=NC2=C(N=CN2C2OC3CO[P](=O)(=O)OC4C(CO[P](=O)(=O)OC3C2O)OC(C4O)N2C=NC3C(=O)NC(N)=NC=32)C(=O)N1,6.3,4etz_protein.pt,4etz_pocket.pt,4etz_ligand.pt
1o3j,CC1=CC(Br)=C(O)C(=C1)C1=NC2=CC(=CC=C2N1)[C+](=N)=N,6.77,1o3j_protein.pt,1o3j_pocket.pt,1o3j_ligand.pt
5mgk,CCC(=O)C1=CNC(=C1)C(=O)OC,4.0,5mgk_protein.pt,5mgk_pocket.pt,5mgk_ligand.pt
3nes,CC1=CC(=CC(C)=C1CC1C=CC(O)=C(C=1)C(C)C)OCC(=O)[O-],5.62,3nes_protein.pt,3nes_pocket.pt,3nes_ligand.pt
5el9,O=P(=O)(=O)CC(O)CN1C=NC=N1,7.64,5el9_protein.pt,5el9_pocket.pt,5el9_ligand.pt
1a94,CCCCC(NC(=O)C(C)NC(=O)C(CCC(=O)[O-])NC(=O)C(CC1C=CC=CC=1)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C([NH3+])CCCNC(N)=[NH2+])C(C)C)C(N)=O,7.85,1a94_protein.pt,1a94_pocket.pt,1a94_ligand.pt
3a1d,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.12,3a1d_protein.pt,3a1d_pocket.pt,3a1d_ligand.pt
3rr4,CNC1=NC2=CC3NC(=NC=3C=C2C(=O)N1)NC,4.55,3rr4_protein.pt,3rr4_pocket.pt,3rr4_ligand.pt
4o3c,[NH3+]C(CC(=O)[O-])C(=O)[O-],2.59,4o3c_protein.pt,4o3c_pocket.pt,4o3c_ligand.pt
4arw,CCCCN1C(=N)C(C(=O)NC1=O)N(C)S(=O)(=O)C1C=CC=CC=1,7.13,4arw_protein.pt,4arw_pocket.pt,4arw_ligand.pt
2oxd,O=C1NC2C(Br)=C(Br)C(Br)=C(Br)C=2N1,6.82,2oxd_protein.pt,2oxd_pocket.pt,2oxd_ligand.pt
2weo,NS(=O)(=O)C1C=CC=C(F)C=1,6.93,2weo_protein.pt,2weo_pocket.pt,2weo_ligand.pt
1w7g,NC(=[NH2+])NCCCC(NS(=O)(=O)C1C=C(C=CC=1)C(F)(F)F)C(=O)N1CC[NH+](CCC[NH3+])CC1,5.1,1w7g_protein.pt,1w7g_pocket.pt,1w7g_ligand.pt
4jpy,[NH3+]C(CC1C=CC=CC=1)C(=O)[O-],4.43,4jpy_protein.pt,4jpy_pocket.pt,4jpy_ligand.pt
1rpf,N=C1C=CN(C(=O)N1)C1OC(CO)C(OP(=O)(=O)=O)C1O,3.99,1rpf_protein.pt,1rpf_pocket.pt,1rpf_ligand.pt
3bft,[NH3+]C(CC1=NSNC1=O)C(=O)[O-],6.49,3bft_protein.pt,3bft_pocket.pt,3bft_ligand.pt
4cu7,OCC1C[NH2+]CC(O)C1O,7.59,4cu7_protein.pt,4cu7_pocket.pt,4cu7_ligand.pt
4re2,OCC1C(O)C(O)C(O)C2=NC=CN21,4.98,4re2_protein.pt,4re2_pocket.pt,4re2_ligand.pt
5ko5,N=[C+]1CC=NC(=O)N1,4.57,5ko5_protein.pt,5ko5_pocket.pt,5ko5_ligand.pt
8a3h,OCC1OC(OC2C(O)C(O)C3NC=C[N+]=3C2CO)C(O)C(O)C1O,4.06,8a3h_protein.pt,8a3h_pocket.pt,8a3h_ligand.pt
1jzs,CC(=CC(=O)OCCCCCCCCC(=O)[O-])CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O,6.6,1jzs_protein.pt,1jzs_pocket.pt,1jzs_ligand.pt
1ogd,OC1COC(O)C(O)C1O,3.03,1ogd_protein.pt,1ogd_pocket.pt,1ogd_ligand.pt
1v7a,CC(O)C(CCOC1C=CC2C=CC=CC=2C=1)N1C=NC(=C1)C(N)=O,8.01,1v7a_protein.pt,1v7a_pocket.pt,1v7a_ligand.pt
4att,COC1C=CC(C#CCOC2OC(CO)C(O)C(O)C2O)=CC=1,6.98,4att_protein.pt,4att_pocket.pt,4att_ligand.pt
2ez7,[NH3+]C(CC1=CNC=N1)C(=O)[O-],4.36,2ez7_protein.pt,2ez7_pocket.pt,2ez7_ligand.pt
2yge,COC1C(=O)C=C2NC(=O)C(C)=CC=CC(OC)C(OC(N)=O)C(C)=CC(C)C(O)C(CC(C)CC=1C2=O)OC,5.06,2yge_protein.pt,2yge_pocket.pt,2yge_ligand.pt
5ivc,O=C([O-])C1=CC=NC(=C1)C1=CC(=CC=N1)C(=O)NCCC1C=CC=CC=1,5.92,5ivc_protein.pt,5ivc_pocket.pt,5ivc_ligand.pt
5cqu,[NH3+]CCCCN1C=C(CCN2N=C3C(=N2)C(Br)=C(Br)C(Br)=C3Br)N=N1,6.54,5cqu_protein.pt,5cqu_pocket.pt,5cqu_ligand.pt
4a4w,COC1C=C(CCC2C=CC=CC=2)C(C(=O)[O-])=C(O)C=1CC=C(C)CCC=C(C)C,7.72,4a4w_protein.pt,4a4w_pocket.pt,4a4w_ligand.pt
4b35,COC(=O)C1=CC=CC2NC=CC=21,2.89,4b35_protein.pt,4b35_pocket.pt,4b35_ligand.pt
4gki,CC(C)(C)N1N=C(CC2=CC=CC3=CC=CC=C32)C2C1=NC=NC=2N,4.46,4gki_protein.pt,4gki_pocket.pt,4gki_ligand.pt
2zn7,O=C([O-])COC1C(Br)=C(SC=1C(=O)[O-])C1C=CC=C(C=1)N(C(=O)C1C=CC=CC=1)C1CCCCC1,7.89,2zn7_protein.pt,2zn7_pocket.pt,2zn7_ligand.pt
2xb8,COC1C=CC(=CC=1)CC1C(=O)C(O)C(O)CC1(O)C(=O)[O-],7.59,2xb8_protein.pt,2xb8_pocket.pt,2xb8_ligand.pt
4mjp,CC(C(=O)[O-])C1C=CC(=C2C=CC=CC=12)C1CCCCC1,3.88,4mjp_protein.pt,4mjp_pocket.pt,4mjp_ligand.pt
4tte,COC(=O)C1=CC(N)=CC(=C1)C1C(C)=NOC=1C,3.69,4tte_protein.pt,4tte_pocket.pt,4tte_ligand.pt
6b97,CC(NC1=NC(Cl)=NC2=C1C=NN2C)C1C=CC(=CC=1)C(F)(F)F,6.63,6b97_protein.pt,6b97_pocket.pt,6b97_ligand.pt
3n7a,O=C([O-])C1(O)C=CC(O)C(O)C1,3.7,3n7a_protein.pt,3n7a_pocket.pt,3n7a_ligand.pt
5h5f,C[S+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,4.43,5h5f_protein.pt,5h5f_pocket.pt,5h5f_ligand.pt
3sio,CC[NH+]1CC2(CCC(OC)C34C5CC6C(CC(O)(C5C6OC)C(O)(C(OC)C23)C14)OC)COC(=O)C1=CC=CC=C1N1C(=O)CC(C)C1=O,8.0,3sio_protein.pt,3sio_pocket.pt,3sio_ligand.pt
2ylc,O=C1C=CN(C(=O)N1)C1OC(COP(=O)=O)C(O)C1O,7.89,2ylc_protein.pt,2ylc_pocket.pt,2ylc_ligand.pt
1w5x,O=C(NC1C2=CC=CC=C2CC1O)C(OCC1=CC=CC(F)=C1F)C(O)C(O)C(OCC1C=CC=C(F)C=1F)C(=O)NC1C2=CC=CC=C2CC1O,8.4,1w5x_protein.pt,1w5x_pocket.pt,1w5x_ligand.pt
3aau,NC(=[NH2+])NC1=CC=C(O)C(C=NCC=NCC2C=C(C=CC=2O)NC(N)=[NH2+])=C1,5.05,3aau_protein.pt,3aau_pocket.pt,3aau_ligand.pt
1drv,CC(=O)C1=CN(C=CC1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2O)N2C=NC3C(N)=NC=NC=32)C(O)C1O,6.54,1drv_protein.pt,1drv_pocket.pt,1drv_ligand.pt
2b1i,O=C1NS(=O)(=O)NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,6.82,2b1i_protein.pt,2b1i_pocket.pt,2b1i_ligand.pt
3fl5,O=C1C2C=CC(O)=C(O)C=2C(=O)C2C(O)=CC=C(O)C=21,7.28,3fl5_protein.pt,3fl5_pocket.pt,3fl5_ligand.pt
5t19,CNC1C=CC(=CC=1)C1=CC=C(C)C(=C1)N1CC(=O)NS1(=O)=O,4.49,5t19_protein.pt,5t19_pocket.pt,5t19_ligand.pt
5xva,CC1C=C(NN=1)NC1N=C(N=C2C=CC(Cl)=CC=12)C(=O)N1CC[NH2+]C(C)C1,7.29,5xva_protein.pt,5xva_pocket.pt,5xva_ligand.pt
6dj1,CC1=CC=CC(C)=C1OCC(=O)NC(CC1C=CC=CC=1)C(O)CC(CC1C=CC=CC=1)NC(=O)C(C(C)C)N1CCCNC1=O,10.51,6dj1_protein.pt,6dj1_pocket.pt,6dj1_ligand.pt
3ap4,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,3.92,3ap4_protein.pt,3ap4_pocket.pt,3ap4_ligand.pt
2xj2,C[NH+]1CCCN(CC1)C1=CN=CC(=N1)C1C=C(C=CC=1)C=CC(=O)[O-],7.18,2xj2_protein.pt,2xj2_pocket.pt,2xj2_ligand.pt
1li6,CC1C=CNC=1,3.8,1li6_protein.pt,1li6_pocket.pt,1li6_ligand.pt
4kwo,CNC1=NC2C=C3C(=O)N[C+](=N)NC3=C(CCC3OC(OC)C(O)C3OC)C=2N1,6.45,4kwo_protein.pt,4kwo_pocket.pt,4kwo_ligand.pt
5g1a,O=C(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1C=CC=CC=1,6.57,5g1a_protein.pt,5g1a_pocket.pt,5g1a_ligand.pt
4fai,COC1C=CC(=CC=1OC)NC(=S)NCCCN1C=CN=C1,6.99,4fai_protein.pt,4fai_pocket.pt,4fai_ligand.pt
4ruz,CCOC1C=CC(=CC=1)S(N)(=O)=O,7.64,4ruz_protein.pt,4ruz_pocket.pt,4ruz_ligand.pt
5zaf,NC(=[NH2+])NC(=O)C1N=C(C2C=COC=2)C(=NC=1N)N1CCCCCC1,6.78,5zaf_protein.pt,5zaf_pocket.pt,5zaf_ligand.pt
2vmc,CC(=O)NC1C(O)OC(CO)C(O)C1O,2.94,2vmc_protein.pt,2vmc_pocket.pt,2vmc_ligand.pt
6f9v,CS(=O)(=O)NC(CCCC[NH3+])C(=O)NCC(CC1(CCCC1)C(=O)NC(CC1C=CC(O)=CC=1)C(=O)[O-])C(=O)[O-],6.76,6f9v_protein.pt,6f9v_pocket.pt,6f9v_ligand.pt
2x0y,CN1C(=O)C2=C(N=CN2CC(O)CO)N(C)C1=O,4.6,2x0y_protein.pt,2x0y_pocket.pt,2x0y_ligand.pt
5jox,OCC1[NH2+]CC(O)C1O,4.46,5jox_protein.pt,5jox_pocket.pt,5jox_ligand.pt
4alx,COC1CC=C2CC[NH+]3CCC4COC(=O)CC=4C23C1,7.28,4alx_protein.pt,4alx_pocket.pt,4alx_ligand.pt
3qqs,O=C([O-])C1=CC=CC=C1NC1=CC=CC=C1C(=O)[O-],5.82,3qqs_protein.pt,3qqs_pocket.pt,3qqs_ligand.pt
4cg9,C[N+](C)=C1C=CN(C=C1)CC1C=CC(=CC=1)C1C=CC=CC=1,6.21,4cg9_protein.pt,4cg9_pocket.pt,4cg9_ligand.pt
2p3c,CC(NC(=O)OCC1C=CC=CC=1)C(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)C(C)NC(=O)OCC1C=CC=CC=1)C(C)C)C(C)C,7.62,2p3c_protein.pt,2p3c_pocket.pt,2p3c_ligand.pt
4b5t,CCC(=O)C(=O)[O-],3.33,4b5t_protein.pt,4b5t_pocket.pt,4b5t_ligand.pt
3mzc,NS(=O)(=O)C1C=CC(=CC=1)NC(=O)NC1CCCC1,6.65,3mzc_protein.pt,3mzc_pocket.pt,3mzc_ligand.pt
3wz8,O=C(CCNC1C=CC=CC=1)NC1SC=C(C2C=CC=CC=2)C=1C(=O)NCC1C=CC=CC=1,5.82,3wz8_protein.pt,3wz8_pocket.pt,3wz8_ligand.pt
3ddf,O=C1NC(C[NH2+]C(CO)C2C=CC=CC=2)C(O)C1O,4.66,3ddf_protein.pt,3ddf_pocket.pt,3ddf_ligand.pt
3g32,O=C1C2=CC=CC=C2C(=O)N1CCC1N=NNN=1,3.71,3g32_protein.pt,3g32_pocket.pt,3g32_ligand.pt
1nwl,CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)C1=NC=CN=C1C(=O)[O-],2.39,1nwl_protein.pt,1nwl_pocket.pt,1nwl_ligand.pt
6dil,CCCC1(CCC2C=CC=CC=2)CC(O)=C(C(=O)O1)C(CC)C1C=C(C=CC=1)NS(=O)(=O)C1C=CC(=CN=1)C(F)(F)F,8.12,6dil_protein.pt,6dil_pocket.pt,6dil_ligand.pt
1nvr,C[NH2+]C1CC2OC(C)(C1OC)N1C3C=CC=CC=3C3=C4CNC(=O)C4=C4C5C=CC=CC=5N2C4=C31,8.11,1nvr_protein.pt,1nvr_pocket.pt,1nvr_ligand.pt
4zek,CC(C)O[P](=O)(=O)OC1C(O)OCC(O)C1O,5.66,4zek_protein.pt,4zek_pocket.pt,4zek_ligand.pt
5oss,OCC1C2NC=NC=2C(O)C(O)C1O,4.55,5oss_protein.pt,5oss_pocket.pt,5oss_ligand.pt
3da9,CCCNC(=O)C1CCCN1C(=O)C([NH3+])C(C1C=CC=CC=1)C1C=CC=CC=1,5.51,3da9_protein.pt,3da9_pocket.pt,3da9_ligand.pt
1lke,CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(CCC12O)C1=CC(=O)OC1,7.52,1lke_protein.pt,1lke_pocket.pt,1lke_ligand.pt
2j47,CC(=O)NC1C2=NC(=CN2C(CO)C(O)C1O)C(=O)NC1C=CC=CC=1,5.41,2j47_protein.pt,2j47_pocket.pt,2j47_ligand.pt
3tao,O=C(COP(=O)(=O)=O)NO,5.14,3tao_protein.pt,3tao_pocket.pt,3tao_ligand.pt
5fut,CN(C)C1C=CN(CC=1)CC1C=CC(=CC=1)CCCCC1C=CC(=CC=1)CN1C=CC(=CC1)N1CCCC1,6.45,5fut_protein.pt,5fut_pocket.pt,5fut_ligand.pt
5ny1,CC1=CC=C2C(C)=C(OC2=C1C)C(=O)NCC1C=CC(=CC=1)S(N)(=O)=O,6.44,5ny1_protein.pt,5ny1_pocket.pt,5ny1_ligand.pt
3m6r,CCCCCC(CC(=O)NO)C(=O)NC(C(=O)N1CCCC1CO)C(C)C,7.49,3m6r_protein.pt,3m6r_pocket.pt,3m6r_ligand.pt
3roc,CC1C=CC(=CC=1N1C=NC(OCC2C=CC(F)=CC=2F)=C(Cl)C1=O)C(=O)NCCO,8.19,3roc_protein.pt,3roc_pocket.pt,3roc_ligand.pt
5jhk,NC(=[NH2+])NCCCC(NC(=O)CNC(=O)C1C=CC=CC=1)C(=O)[O-],4.64,5jhk_protein.pt,5jhk_pocket.pt,5jhk_ligand.pt
5cc2,O=C([O-])C1CC(=O)C2C=CC(Cl)=CC=2N=1,4.1,5cc2_protein.pt,5cc2_pocket.pt,5cc2_ligand.pt
6ma2,COC1C=CC=CC=1C(NS(=O)(=O)C1C=CC2NC(=O)C=CC=2C=1)C(=O)N(CC(=O)[O-])CC1=CC=CS1,5.39,6ma2_protein.pt,6ma2_pocket.pt,6ma2_ligand.pt
3mhc,NS(=O)(=O)C1=NN=C(NC(=O)C23CC4CC(CC(C4)C2)C3)S1,7.96,3mhc_protein.pt,3mhc_pocket.pt,3mhc_ligand.pt
4ag8,CNC(=O)C1=CC=CC=C1SC1=CC=C2C(=C1)NN=C2C=CC1C=CC=CN=1,8.96,4ag8_protein.pt,4ag8_pocket.pt,4ag8_ligand.pt
4rlw,OC1C=CC(=C(O)C=1)C(O)C=CC1C=CC(O)=C(O)C=1,4.87,4rlw_protein.pt,4rlw_pocket.pt,4rlw_ligand.pt
4j3l,COCCNC(=O)C1C=C(Cl)C(=CC=1)C1=CC=C2C(C)=CC(=O)NC2=C1,7.8,4j3l_protein.pt,4j3l_pocket.pt,4j3l_ligand.pt
2f7o,CSC1C([NH3+])C(O)C(O)C1O,7.44,2f7o_protein.pt,2f7o_pocket.pt,2f7o_ligand.pt
2i0a,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)C1CN(C(=O)O1)C1C=CC(=CC=1)C(C)=O,11.4,2i0a_protein.pt,2i0a_pocket.pt,2i0a_ligand.pt
2vuk,CCN1C2=CC=CC=C2C2C=C(C=CC=21)C[NH2+]C,3.9,2vuk_protein.pt,2vuk_pocket.pt,2vuk_ligand.pt
5ta2,COC1CCC=CC2=CC=CC(=C2)C(C)OC(=O)C2CCCN([NH2+]2)C(=O)C(CC2C=C(O)C=CC=2)NC(=O)C(NC(=O)C1C)C(C)C,7.96,5ta2_protein.pt,5ta2_pocket.pt,5ta2_ligand.pt
3qox,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,6.57,3qox_protein.pt,3qox_pocket.pt,3qox_ligand.pt
2j2u,CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3N2)C1=O,7.33,2j2u_protein.pt,2j2u_pocket.pt,2j2u_ligand.pt
4ury,NC1C=CC(=CC=1)S(=O)(=O)NC(=O)C1C=C1,2.22,4ury_protein.pt,4ury_pocket.pt,4ury_ligand.pt
2erz,O=C1NC=CC2C(=CC=CC=21)S(=O)(=O)N1CCC[NH2+]CC1,5.66,2erz_protein.pt,2erz_pocket.pt,2erz_ligand.pt
5fnf,ON=C(C1C=CC=NC=1)C1=CC=C(O)C=C1O,3.15,5fnf_protein.pt,5fnf_pocket.pt,5fnf_ligand.pt
1syh,[NH3+]C(CN1C(=O)NC(=O)C2CCCC=21)C(=O)[O-],6.41,1syh_protein.pt,1syh_pocket.pt,1syh_ligand.pt
1bjv,N=[C+](=N)C1C=CC(=CC=1)NC(=O)NC1C=CC(=CC=1)OC1C=CC=CC=1,5.54,1bjv_protein.pt,1bjv_pocket.pt,1bjv_ligand.pt
3p2e,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,6.22,3p2e_protein.pt,3p2e_pocket.pt,3p2e_ligand.pt
3sue,CCC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OC1CC1CCCCCC1=NC3=CC=C(C=C3N=C1O2)OC)C(C)(C)C)C(=O)NS(=O)(=O)C1C=C1,9.08,3sue_protein.pt,3sue_pocket.pt,3sue_ligand.pt
4ynb,NC1N=CN=C2C(=CNC=12)C[NH+]1CC(O)C(CSC2=CN=CC=N2)C1,10.37,4ynb_protein.pt,4ynb_pocket.pt,4ynb_ligand.pt
5jsq,N=[C+]1NC(=O)C2N=CN(CCCCCCP(=O)(=O)=O)C=2N1,4.67,5jsq_protein.pt,5jsq_pocket.pt,5jsq_ligand.pt
5l30,CC1=CC2=CC=C1C(C)COC(=O)NC1=CC=C(C(=C1)CN(C)C(=O)C2NC1=CC=C2C(C=CN=C2N)=C1)C1(CC1)C1=NN=NN1,9.14,5l30_protein.pt,5l30_pocket.pt,5l30_ligand.pt
3ohi,O=C1C(O)=C(C=CN1CP(=O)(=O)=O)CCOP(=O)(=O)=O,4.85,3ohi_protein.pt,3ohi_pocket.pt,3ohi_ligand.pt
2boh,CC(C)[NH+]1CCC(CC1)NC(=O)C1=CC2C=CC=CC=2N1CC1C=C(ON=1)C1=CC=C(Cl)S1,8.52,2boh_protein.pt,2boh_pocket.pt,2boh_ligand.pt
2iko,CCC1N=C(N)N=C(N)C=1C1C=CC(=CC=1)NCC1C=C(F)C=C(F)C=1,5.45,2iko_protein.pt,2iko_pocket.pt,2iko_ligand.pt
1w0z,CCCCS(=O)(=O)NC(CO)C(=O)NC(C)C(=O)NCC1C=CC(=CC=1)[C+](=N)=N,7.68,1w0z_protein.pt,1w0z_pocket.pt,1w0z_ligand.pt
3usx,CCCCCCCCCCCCCC(=O)[O-],5.02,3usx_protein.pt,3usx_pocket.pt,3usx_ligand.pt
3o9d,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC2N=CSC=2C=1,10.72,3o9d_protein.pt,3o9d_pocket.pt,3o9d_ligand.pt
4o0x,CC1=NC2=CC=C(C#CC3(O)CCCCC3)C=C2N1C1N=C(N)N=CN=1,7.17,4o0x_protein.pt,4o0x_pocket.pt,4o0x_ligand.pt
4igt,CN(O)C(=O)CCC(CC([NH3+])C(=O)[O-])C(=O)[O-],7.89,4igt_protein.pt,4igt_pocket.pt,4igt_ligand.pt
3sjf,CSCCC(NC(=O)NC(CCCCNC(=O)C1C=CC(I)=CC=1)C(=O)[O-])C(=O)[O-],7.64,3sjf_protein.pt,3sjf_pocket.pt,3sjf_ligand.pt
2ces,OCC1C(O)C(O)C(O)C2=NC=CN21,7.25,2ces_protein.pt,2ces_pocket.pt,2ces_ligand.pt
2wr8,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,5.44,2wr8_protein.pt,2wr8_pocket.pt,2wr8_ligand.pt
2e1w,CC(O)C(CCC1=CC=CC2C=CC=CC=21)N1C=NC(=C1)C(N)=O,7.96,2e1w_protein.pt,2e1w_pocket.pt,2e1w_ligand.pt
4lvt,CC1(C)CCC(C2C=CC(Cl)=CC=2)=C(C[NH+]2CCN(CC2)C2C=CC(=CC=2)C(=O)NS(=O)(=O)C2C=CC(NC(CC[NH+]3CCOCC3)CSC3C=CC=CC=3)=C(C=2)S(=O)(=O)C(F)(F)F)C1,10.36,4lvt_protein.pt,4lvt_pocket.pt,4lvt_ligand.pt
5wa9,COC(=O)C(C)N[P](=O)(=O)OCC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,6.76,5wa9_protein.pt,5wa9_pocket.pt,5wa9_ligand.pt
3f17,O=NC(=O)CNS(=O)(=O)C1C=CC(=CC=1)C1C=CC=CC=1,8.63,3f17_protein.pt,3f17_pocket.pt,3f17_ligand.pt
1ecq,O=C([O-])C(O)CC(O)C(O)C(=O)[O-],3.0,1ecq_protein.pt,1ecq_pocket.pt,1ecq_ligand.pt
1sdt,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC=NC=1,9.27,1sdt_protein.pt,1sdt_pocket.pt,1sdt_ligand.pt
4mc1,CC(C)(C)C1CC2=CC(F)=CC=C2S(=O)(=O)N(CC(O)C(CC2C=CC=CC=2)NC(=O)OC2CCOC2)C1,7.85,4mc1_protein.pt,4mc1_pocket.pt,4mc1_ligand.pt
5jhb,NC1C=C(C(=CN=1)C1=NC(=NC(=N1)N1CC(CO)(CCl)C1)N1CCOCC1)C(F)(F)F,6.06,5jhb_protein.pt,5jhb_pocket.pt,5jhb_ligand.pt
5e2k,NC1C=CC=C(C=1)C1C=CC(=CC=1)S(N)(=O)=O,8.03,5e2k_protein.pt,5e2k_pocket.pt,5e2k_ligand.pt
4ks4,CCC(CC)OC1CC(=CC(C1NC(C)=O)N1C=C(N=N1)C(O)CC)C(=O)[O-],7.14,4ks4_protein.pt,4ks4_pocket.pt,4ks4_ligand.pt
3hww,O=C([O-])CCC(=O)C(=O)[O-],7.12,3hww_protein.pt,3hww_pocket.pt,3hww_ligand.pt
1zvx,COC1C=CC(=CC=1)C1C=CC(=CC=1)S(=O)(=O)NC(C(C)C)P(=O)(=O)=O,9.22,1zvx_protein.pt,1zvx_pocket.pt,1zvx_ligand.pt
4p5d,O=P(=O)(=O)OCC1OC(C(O)C1O)N1C=NC2C(=NC=NC=21)C1C=C2C=CC=CC2=CC=1,5.82,4p5d_protein.pt,4p5d_pocket.pt,4p5d_ligand.pt
3ccw,CC(C)C1=C(N=C(C2C=CC(F)=CC=2)N1CCC(O)CC(O)CC(=O)[O-])C(=O)NCC1C=CC=CC=1,7.87,3ccw_protein.pt,3ccw_pocket.pt,3ccw_ligand.pt
4us3,[NH3+]C(CC1=CNC2C=CC=CC=21)C(=O)[O-],5.32,4us3_protein.pt,4us3_pocket.pt,4us3_ligand.pt
1o30,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(=CC(=C1O)C1C=CC=CC=1F)C(CC(=O)[O-])C(=O)[O-],6.77,1o30_protein.pt,1o30_pocket.pt,1o30_ligand.pt
4yxi,CC1C=CC(=CC=1)S(N)(=O)=O,6.5,4yxi_protein.pt,4yxi_pocket.pt,4yxi_ligand.pt
4ht2,CC1=CC(C)=NC(=N1)SC1C(F)=C(F)C(=C(F)C=1F)S(N)(=O)=O,6.54,4ht2_protein.pt,4ht2_pocket.pt,4ht2_ligand.pt
184l,CC(C)CC1C=CC=CC=1,4.72,184l_protein.pt,184l_pocket.pt,184l_ligand.pt
3wtl,O=[N+]([O-])C=C1NCCN1CC1C=CC(Cl)=NC=1,7.04,3wtl_protein.pt,3wtl_pocket.pt,3wtl_ligand.pt
2j75,OCC1C[NH2+]C(O)C(O)C1O,6.65,2j75_protein.pt,2j75_pocket.pt,2j75_ligand.pt
6d50,O=C1OC(C(=O)[O-])C(O)C(O)C1O,5.05,6d50_protein.pt,6d50_pocket.pt,6d50_ligand.pt
3zxz,OCCN1C=C(C=N1)C1C=NC2N=NN(CC3C=CC4=NC=CC=C4C=3)C=2N=1,8.4,3zxz_protein.pt,3zxz_pocket.pt,3zxz_ligand.pt
4ad2,OCC1C[NH2+]CC(OC2OC(CO)C(O)C(O)C2O)C1O,6.2,4ad2_protein.pt,4ad2_pocket.pt,4ad2_ligand.pt
1k9s,C[N+]1=CN=C2C(=NNC2=C1N)C1OC(CO)C(O)C1O,6.52,1k9s_protein.pt,1k9s_pocket.pt,1k9s_ligand.pt
5ngz,[NH3+]CC1=NC2=CC=CC=C2S1,2.89,5ngz_protein.pt,5ngz_pocket.pt,5ngz_ligand.pt
6fs0,CC1=C2C(CSCC3C=C(CSC4=CC(OCCCC5C6=CC=C(Cl)C2=C6N(C)C=5C(=O)[O-])=C2C=CC=CC2=C4)N(C)N=3)=NN1C,9.77,6fs0_protein.pt,6fs0_pocket.pt,6fs0_ligand.pt
4f1l,NC(=O)C1C=C(C=CC=1)NC(=O)C=CC(=O)[O-],5.12,4f1l_protein.pt,4f1l_pocket.pt,4f1l_ligand.pt
4bkt,CNC(=O)C1CC(O)CN1C(=O)CC1=CC(C)=NO1,3.62,4bkt_protein.pt,4bkt_pocket.pt,4bkt_ligand.pt
4urz,NC1C=CC(=CC=1)S(=O)(=O)N1CCCCC1=O,2.52,4urz_protein.pt,4urz_pocket.pt,4urz_ligand.pt
1b6k,CCC(C)C1NC(=O)C(CC2C=CC(=CC=2)OCCCNC1=O)[NH2+]CC(O)C(CC1C=CC(O)=CC=1)NC(=O)C(C(C)C)N1CCCC1=O,8.74,1b6k_protein.pt,1b6k_pocket.pt,1b6k_ligand.pt
1rjk,C=C1C(O)CC(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC1O,10.0,1rjk_protein.pt,1rjk_pocket.pt,1rjk_ligand.pt
3sfg,O=C1C=CN(C(=S)N1)C1OC(CO)C(O)C1O,6.06,3sfg_protein.pt,3sfg_pocket.pt,3sfg_ligand.pt
3d7z,CC1=CC=C(C=C1C1C=CC(=CC=1)C(=O)NCC1C=C1)C(=O)NC1C=C1,7.92,3d7z_protein.pt,3d7z_pocket.pt,3d7z_ligand.pt
2rcn,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.0,2rcn_protein.pt,2rcn_pocket.pt,2rcn_ligand.pt
5oh3,CCC1(C)CC(=O)NC1=O,3.87,5oh3_protein.pt,5oh3_pocket.pt,5oh3_ligand.pt
4bf6,N#CC1C=CC=C(C=1)N1C=C(N=N1)C1=CC=C(S1)S(N)(=O)=O,8.35,4bf6_protein.pt,4bf6_pocket.pt,4bf6_ligand.pt
4u6z,CCCC(C)C([NH3+])P(=O)(=O)=O,5.41,4u6z_protein.pt,4u6z_pocket.pt,4u6z_ligand.pt
3d50,CCCCCCCC[NH2+]C1C=C(CO)C(O)C(O)C1O,4.77,3d50_protein.pt,3d50_pocket.pt,3d50_ligand.pt
3i25,COCCOC(CC(O)C(COC1C=C(F)C=C(F)C=1)NC(=O)C1=CC(=CC(=C1)N(C)S(C)(=O)=O)C(=O)NC(C)C1C=CC=CC=1)C(=O)NC(C(=O)NCC1C=CC=CC=1)C(C)C,8.51,3i25_protein.pt,3i25_pocket.pt,3i25_ligand.pt
1bcd,NS(=O)(=O)C(F)(F)F,8.7,1bcd_protein.pt,1bcd_pocket.pt,1bcd_ligand.pt
2jdm,COC1OC(C)C(O)C(O)C1O,5.4,2jdm_protein.pt,2jdm_pocket.pt,2jdm_ligand.pt
1y0l,CC1C=C2N=C(N)N(CCCCC(=O)[O-])C2=CC=1C,9.0,1y0l_protein.pt,1y0l_pocket.pt,1y0l_ligand.pt
5cso,N=C1C=CN(C(=O)N1)C1OC(CO)C(O)C1O,6.03,5cso_protein.pt,5cso_pocket.pt,5cso_ligand.pt
1q5k,COC1C=CC(=CC=1)CNC(=O)NC1=NC=C(S1)[N+](=O)[O-],7.42,1q5k_protein.pt,1q5k_pocket.pt,1q5k_ligand.pt
3t08,CC(C)SC1OC(CO)C(O)C(O)C1O,3.04,3t08_protein.pt,3t08_pocket.pt,3t08_ligand.pt
5g4m,C[NH2+]CC1C=CC2=C(C=1)C1C=CC=CC=1N2CCF,3.86,5g4m_protein.pt,5g4m_pocket.pt,5g4m_ligand.pt
1j17,O=C(C1CCN(CC1)C1C=CN=CC=1)N1CCN(CC1)S(=O)(=O)C1C=CC2=CC(Cl)=CC=C2C=1,5.22,1j17_protein.pt,1j17_pocket.pt,1j17_ligand.pt
6gvz,CC(CCC(=O)NCC(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,6.4,6gvz_protein.pt,6gvz_pocket.pt,6gvz_ligand.pt
4qf7,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C(CCC12)C(=O)CO,8.6,4qf7_protein.pt,4qf7_pocket.pt,4qf7_ligand.pt
1qan,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,4.48,1qan_protein.pt,1qan_pocket.pt,1qan_ligand.pt
3s0d,C=C(C)CCCC(C)CC[NH3+],7.05,3s0d_protein.pt,3s0d_pocket.pt,3s0d_ligand.pt
4qev,COC(=O)C(C)C1N=C(C2C=CC(Cl)=CC=2)C2C=C(C=CC=2N2C(C)=NN=C12)OC,7.66,4qev_protein.pt,4qev_pocket.pt,4qev_ligand.pt
4f3c,CCCCSCC1C[NH+](CC2=CNC3C(N)=NC=NC=32)CC1O,11.82,4f3c_protein.pt,4f3c_pocket.pt,4f3c_ligand.pt
4a6b,COC(=O)NC(C(=O)N[NH+](CCCC1(CC2C=CC=CC=2)C(=O)N(CC1O)C1C2C=CC=CC=2CC1O)CC1C=CC(=CC=1)C1C=CC=CC=1)C(C)(C)C,8.38,4a6b_protein.pt,4a6b_pocket.pt,4a6b_ligand.pt
5u0d,COC1C=CC(=C(C=1)OC)C1OC(=S)NC1=O,4.54,5u0d_protein.pt,5u0d_pocket.pt,5u0d_ligand.pt
4f9w,CN(C)C1C=C(C2C=CN=CC=2)C(=NN=1)C1C=CC2=CC=CC=C2C=1,6.94,4f9w_protein.pt,4f9w_pocket.pt,4f9w_ligand.pt
6ecz,NS(=O)(=O)C1C=C(C(O)=C(C=1)NC(=O)NC1C(F)=C(F)C(F)=C(F)C=1F)[N+](=O)[O-],6.57,6ecz_protein.pt,6ecz_pocket.pt,6ecz_ligand.pt
3b7i,CC(C)CC([NH3+])P(=O)(=O)=O,5.82,3b7i_protein.pt,3b7i_pocket.pt,3b7i_ligand.pt
3b3c,CC(C)CC([NH3+])P(=O)(=O)=O,3.98,3b3c_protein.pt,3b3c_pocket.pt,3b3c_ligand.pt
3rz7,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,8.96,3rz7_protein.pt,3rz7_pocket.pt,3rz7_ligand.pt
4arb,CC[NH+]1CCCC1CNC(=O)C1C=C(C(=CC=1OC)N(C)C)[N+](=O)[O-],5.89,4arb_protein.pt,4arb_pocket.pt,4arb_ligand.pt
5e7n,CC1=CC=C(C=C1S(=O)(=O)NC1C=CC(Br)=CC=1)C(=O)NC1=CC=CC=C1C(=O)[O-],6.09,5e7n_protein.pt,5e7n_pocket.pt,5e7n_ligand.pt
3bl0,CN(C)C1=NN=C(CS(N)(=O)=O)S1,6.92,3bl0_protein.pt,3bl0_pocket.pt,3bl0_ligand.pt
6g3q,N=C(CCSCC1=CSC=N1)NS(N)(=O)=O,7.24,6g3q_protein.pt,6g3q_pocket.pt,6g3q_ligand.pt
5otz,CCC1C=CC=CC=1C1C(Cl)=CC(=CC=1Cl)C[NH3+],5.19,5otz_protein.pt,5otz_pocket.pt,5otz_ligand.pt
4ipj,O=C([O-])CC(O)C(=O)[O-],4.87,4ipj_protein.pt,4ipj_pocket.pt,4ipj_ligand.pt
3rlb,CC1=NC=C(C[N+]2=CSC(CCO)=C2C)C(N)=N1,9.92,3rlb_protein.pt,3rlb_pocket.pt,3rlb_ligand.pt
2fqo,[NH3+]C(CCSCC(O)C(O)C(=O)NO)C(=O)[O-],6.43,2fqo_protein.pt,2fqo_pocket.pt,2fqo_ligand.pt
2pcp,C1=CC=C(C=C1)C1(CCCCC1)[NH+]1CCCCC1,8.7,2pcp_protein.pt,2pcp_pocket.pt,2pcp_ligand.pt
5l7e,CC1=NOC(C)=C1C1C=CC(=CC=1)CNS(=O)(=O)C1C=CC=CC=1,6.6,5l7e_protein.pt,5l7e_pocket.pt,5l7e_ligand.pt
1odj,NC1=NC2=C(N=CN2C2OC(CO)C(O)C2O)C(=O)N1,4.1,1odj_protein.pt,1odj_pocket.pt,1odj_ligand.pt
3bva,CCCCC(C[NH2+]C(CCCC)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=[NH2+])C(N)=O)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)CC,6.52,3bva_protein.pt,3bva_pocket.pt,3bva_ligand.pt
5l8a,COC1=CC=C(C[NH+]2CCC3=C(C2)C(=NN3CCO)C(=O)NCC2C=CC=CC=2)C2=CC=CC=C12,4.91,5l8a_protein.pt,5l8a_pocket.pt,5l8a_ligand.pt
4io2,[NH3+]C(CCC(=O)[O-])C(=O)[O-],6.7,4io2_protein.pt,4io2_pocket.pt,4io2_ligand.pt
3mho,CSC1=NC(Cl)=C(C=O)C(=N1)NC1C=CC(=CC=1)S(N)(=O)=O,6.49,3mho_protein.pt,3mho_pocket.pt,3mho_ligand.pt
6cdj,CC(C)CN(CC(O)C(CC1C=C(F)C=C(F)C=1)NC(=O)OC1CC2COC3OCCC1C23)S(=O)(=O)C1C=CC2N=C(NC3CC3)SC=2C=1,11.7,6cdj_protein.pt,6cdj_pocket.pt,6cdj_ligand.pt
187l,CC1C=CC(C)=CC=1,3.37,187l_protein.pt,187l_pocket.pt,187l_ligand.pt
2gl0,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,4.82,2gl0_protein.pt,2gl0_pocket.pt,2gl0_ligand.pt
4k9y,CC1C=CC(=CC=1)N1N=C(C=C1NC(=O)NC1C=CC(=CC=1)N1C=NC2C(N)=NC=NC=21)C(C)(C)C,6.95,4k9y_protein.pt,4k9y_pocket.pt,4k9y_ligand.pt
2isw,O=C(COP(=O)(=O)=O)NO,7.43,2isw_protein.pt,2isw_pocket.pt,2isw_ligand.pt
4yth,CC(C)(NC1=NC(=NC=C1F)C1=CNC2=NC=C(Cl)C=C12)C(=O)NCC(F)(F)F,8.7,4yth_protein.pt,4yth_pocket.pt,4yth_ligand.pt
2qbp,O=C([O-])COC1C(Br)=C(SC=1C(=O)[O-])C1C=CC=C(C=1)NC1CCN(CC1)S(=O)(=O)CC1C=CC=CC=1,8.4,2qbp_protein.pt,2qbp_pocket.pt,2qbp_ligand.pt
1vfn,O=C1NC=NC2N=CNC=21,5.6,1vfn_protein.pt,1vfn_pocket.pt,1vfn_ligand.pt
5om7,COC1=CC=CC2C(=O)C3=C(O)C4CC(O)(CC(OC5CC([NH3+])C(O)C(C)O5)C=4C(O)=C3C(=O)C=21)C(=O)CO,5.74,5om7_protein.pt,5om7_pocket.pt,5om7_ligand.pt
5ueu,COC(=O)CC1N=C(C2C=CC(Cl)=CC=2)C2C(C)=C(C)SC=2N2C(C)=NN=C12,7.78,5ueu_protein.pt,5ueu_pocket.pt,5ueu_ligand.pt
2zx6,CC1[NH2+]C(CNC(=O)CC2=CNC3=CC=CC=C23)C(O)C(O)C1O,10.6,2zx6_protein.pt,2zx6_pocket.pt,2zx6_ligand.pt
1njc,NC1C=CN(C(=O)N=1)C1CC(O)C(COP(=O)(=O)=O)O1,5.55,1njc_protein.pt,1njc_pocket.pt,1njc_ligand.pt
2x00,CC1=CC2C(C)=C(CCC23CCCN=C3CCC=C(C)C2OC(CCC1O)CC2C)C1CC(C)C(=O)O1,11.33,2x00_protein.pt,2x00_pocket.pt,2x00_ligand.pt
3pe2,C#CC1C=CC=C(C=1)NC1=NC2=CC(=CC=C2C2=CN=CN=C21)C(=O)[O-],9.76,3pe2_protein.pt,3pe2_pocket.pt,3pe2_ligand.pt
4f09,CC1=NC2=CN=C3NC=CC3=C2N1C1CC[NH2+]CC1,6.7,4f09_protein.pt,4f09_pocket.pt,4f09_ligand.pt
6b4l,O=C([O-])C1NC2C=CC=CC=2C=1CCCOC1=CC=CC2=CC=CC=C21,6.47,6b4l_protein.pt,6b4l_pocket.pt,6b4l_ligand.pt
6dh8,CCC(CC)CN(CC(O)C(CC1CCCCC1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,9.84,6dh8_protein.pt,6dh8_pocket.pt,6dh8_ligand.pt
5nkb,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC(=CC(=C2)N2CCOCC2)N2CCOCC2)S1,9.12,5nkb_protein.pt,5nkb_pocket.pt,5nkb_ligand.pt
2qpu,CC1OC(OC2C(CO)OCC(O)C2O)C(O)C(O)C1[NH2+]C1C(O)C(C)C(O)C(O)C1O,3.6,2qpu_protein.pt,2qpu_pocket.pt,2qpu_ligand.pt
3ocp,NC1=NC=NC2=C1N=CN2C1OC2CO[P](=O)(=O)OC2C1O,7.57,3ocp_protein.pt,3ocp_pocket.pt,3ocp_ligand.pt
6ftz,NC(=O)C1=CC2C(=CC=CC=2C(=O)NC2C=CC=C(C=2)C[NH3+])N1,3.0,6ftz_protein.pt,6ftz_pocket.pt,6ftz_ligand.pt
3u8l,C1=CC=C(C=C1)C1C=NC=C(C=1)N1CCC[NH2+]CC1,8.05,3u8l_protein.pt,3u8l_pocket.pt,3u8l_ligand.pt
1hn4,CCCCCCCCCCCCCCCCOCC(COCC(F)(F)F)O[P](=O)(=O)OC,3.82,1hn4_protein.pt,1hn4_pocket.pt,1hn4_ligand.pt
6fnr,O=C([O-])C(Cl)CC1=CN=CN1,5.59,6fnr_protein.pt,6fnr_pocket.pt,6fnr_ligand.pt
1flr,O=C1C=CC2C(=C1)OC1=CC(O)=CC=C1C=2C1=CC=CC=C1C(=O)[O-],10.0,1flr_protein.pt,1flr_pocket.pt,1flr_ligand.pt
1ua4,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,4.22,1ua4_protein.pt,1ua4_pocket.pt,1ua4_ligand.pt
5hcv,O=C1COC2C=CC(=CC=2N1)C=C1C2C=CC=CC=2COC2C=C(F)C=CC=21,8.7,5hcv_protein.pt,5hcv_pocket.pt,5hcv_ligand.pt
1ajx,O=C1N(CC2C=CC=CC=2)C(COC2C=CC=CC=2)C(O)C(O)C(COC2C=CC=CC=2)N1CC1C=CC=CC=1,7.91,1ajx_protein.pt,1ajx_pocket.pt,1ajx_ligand.pt
4qpd,[NH2+]=C1N=C2NCC(CNC3C=CC(=CC=3)C(=O)NC(CCC(=O)[O-])C(=O)[O-])[NH2+]C2C(=O)N1,7.82,4qpd_protein.pt,4qpd_pocket.pt,4qpd_ligand.pt
1o0h,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.92,1o0h_protein.pt,1o0h_pocket.pt,1o0h_ligand.pt
2j7h,OCC1[NH2+][NH2+]CC(O)C1O,7.19,2j7h_protein.pt,2j7h_pocket.pt,2j7h_ligand.pt
3lp4,[NH3+]CCCCC([NH3+])C(=O)[O-],4.88,3lp4_protein.pt,3lp4_pocket.pt,3lp4_ligand.pt
3e5a,CC1C=C(NN=1)NC1C=C(N=C(N=1)SC1C=CC(=CC=1)NC(=O)C1CC1)N1CC[NH+](C)CC1,8.23,3e5a_protein.pt,3e5a_pocket.pt,3e5a_ligand.pt
6eol,OCC1OC(SC2=CC=C(Cl)C(Cl)=C2)C(O)C(C1O)N1C=C(N=N1)C1C=C(F)C(F)=C(F)C=1,7.43,6eol_protein.pt,6eol_pocket.pt,6eol_ligand.pt
5a6x,COC1OC(C)C(O)C(O)C1O,6.69,5a6x_protein.pt,5a6x_pocket.pt,5a6x_ligand.pt
6eq8,OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O,8.0,6eq8_protein.pt,6eq8_pocket.pt,6eq8_ligand.pt
4ks1,CCC(CC)OC1CC(=CC([NH3+])C1NC(C)=O)C(=O)[O-],8.82,4ks1_protein.pt,4ks1_pocket.pt,4ks1_ligand.pt
1njd,O=C1C=CN(C(=O)N1)C1CC(O)C(COP(=O)(=O)=O)O1,5.57,1njd_protein.pt,1njd_pocket.pt,1njd_ligand.pt
3gtc,O=C([O-])C1CCCCC1C1N=C(S)NN=1,2.35,3gtc_protein.pt,3gtc_pocket.pt,3gtc_ligand.pt
3rt8,[NH3+]C(CN1C=C(Cl)C(=O)NC1=O)C(=O)[O-],6.35,3rt8_protein.pt,3rt8_pocket.pt,3rt8_ligand.pt
3ckb,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,2.98,3ckb_protein.pt,3ckb_pocket.pt,3ckb_ligand.pt
4tqn,CCOC1=CC=C(C=C1NC(=O)C1C=CC=C(C=1)C(=O)[O-])C(C)=O,6.11,4tqn_protein.pt,4tqn_pocket.pt,4tqn_ligand.pt
5wal,O=C(NC1N=CC=C2NC(=NC=12)C1C(Cl)=CC=CC=1Cl)C1CC1,8.77,5wal_protein.pt,5wal_pocket.pt,5wal_ligand.pt
3qlm,CCCCCCCCCCCCCCCC(=O)[O-],6.37,3qlm_protein.pt,3qlm_pocket.pt,3qlm_ligand.pt
4djx,CN1C(=O)C(N[C+]1=N)(C1C=C(C=CC=1)C1C=C(Cl)C=NC=1)C1CC1,7.23,4djx_protein.pt,4djx_pocket.pt,4djx_ligand.pt
4ykk,[NH3+]C(CO)C(=O)[O-],2.77,4ykk_protein.pt,4ykk_pocket.pt,4ykk_ligand.pt
2fqt,[NH3+]C(CCSCC(O)C(O)C(=O)NO)C(=O)[O-],6.14,2fqt_protein.pt,2fqt_pocket.pt,2fqt_ligand.pt
2h6b,O=C([O-])CC1=CC=C(O)C(Cl)=C1,5.39,2h6b_protein.pt,2h6b_pocket.pt,2h6b_ligand.pt
2nmz,CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C(CC1C=CC=CC=1)NC(=O)C(CC(N)=O)NC(=O)C1C=CC2C=CC=CC=2N=1,8.37,2nmz_protein.pt,2nmz_pocket.pt,2nmz_ligand.pt
4hge,CC1C=C(NC(=O)C2C=NN3C=CC=NC=23)N(N=1)C1C=CC=C(Cl)C=1,7.92,4hge_protein.pt,4hge_pocket.pt,4hge_ligand.pt
4q87,ON1C=CC(=CC1=S)C(F)(F)F,4.85,4q87_protein.pt,4q87_pocket.pt,4q87_ligand.pt
2br1,COC1C=CC(=CC=1)C1OC2=NC=NC(NCCO)=C2C=1C1C=CC(=CC=1)OC,5.14,2br1_protein.pt,2br1_pocket.pt,2br1_ligand.pt
6hh3,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2[NH2+]CC(O)C2O)C(O)C1O,6.24,6hh3_protein.pt,6hh3_pocket.pt,6hh3_ligand.pt
5qa8,O=C([O-])C1C=CC=C(C=1)C1C=CC(O)=CC=1,3.77,5qa8_protein.pt,5qa8_pocket.pt,5qa8_ligand.pt
5htz,CC#CC1=CN=CC(=C1)C1=CC(Cl)=C(S1)C1(C)CS(=O)(=O)N(C)[C+](=N)N1,8.62,5htz_protein.pt,5htz_pocket.pt,5htz_ligand.pt
3gk1,CCCCC#CC1=CC=C(O1)C(=O)NNC(=S)NC,4.1,3gk1_protein.pt,3gk1_pocket.pt,3gk1_ligand.pt
4y3j,CN1C=NC(=C1)CC([NH3+])C(=O)[O-],2.17,4y3j_protein.pt,4y3j_pocket.pt,4y3j_ligand.pt
2uwd,CCNC(=O)C1=NOC(C2=CC(Cl)=C(O)C=C2O)=C1C1C=CC(=CC=1)OC,8.35,2uwd_protein.pt,2uwd_pocket.pt,2uwd_ligand.pt
5d3p,CCC1=C(NC(C)=C1C(C)=O)C(=O)N1C=CC2=CC=C(C=C21)S(=O)(=O)NC,5.13,5d3p_protein.pt,5d3p_pocket.pt,5d3p_ligand.pt
3t1m,COC1OC(CO)C(O)C(NC(=O)C2C=CC(C)=CC=2)C1OC(=O)C1C=CC(C)=CC=1,3.04,3t1m_protein.pt,3t1m_pocket.pt,3t1m_ligand.pt
1met,O=C1N(CC2C=CC(=CC=2)CO)C(CC2C=CC=CC=2)C(O)C(O)C(CC2C=CC=CC=2)N1CC1C=CC(=CC=1)CO,9.4,1met_protein.pt,1met_pocket.pt,1met_ligand.pt
1g52,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC1=CC=CC(F)=C1F,9.54,1g52_protein.pt,1g52_pocket.pt,1g52_ligand.pt
2gv6,NC(=[NH2+])NCCC1CCN(CC1)C(=O)C(CC1C=CC=C(C=1)C(N)=[NH2+])NS(=O)(=O)C1C=C2C=CC=CC2=CC=1,7.34,2gv6_protein.pt,2gv6_pocket.pt,2gv6_ligand.pt
6ma4,O=C([O-])CCCCOC1=CC=CC=C1C(NS(=O)(=O)C1C=CC2NC(=O)C=CC=2C=1)C(=O)N(CC(=O)[O-])CC1=CC=CS1,7.35,6ma4_protein.pt,6ma4_pocket.pt,6ma4_ligand.pt
1bn3,COC1C=CC=C(C=1)N1C=CC2C=C(SC=2S1(=O)=O)S(N)(=O)=O,9.89,1bn3_protein.pt,1bn3_pocket.pt,1bn3_ligand.pt
4ieh,C[NH+](C)CCC(CSC1C=CC=CC=1)NC1=CC=C(C=C1[N+](=O)[O-])S(=O)(=O)NC1=NS(=O)(=O)C2C=C(C=CC=21)N1CC[NH+](CC1)CC1C=CC=CC=1C1C=CC(Cl)=CC=1,7.85,4ieh_protein.pt,4ieh_pocket.pt,4ieh_ligand.pt
2vot,OCC1C(O)C(O)C(O)C2=NC(=CN21)CNC1C=CC=CC=1,7.14,2vot_protein.pt,2vot_pocket.pt,2vot_ligand.pt
3hmo,C[NH2+]C1CC2OC(C)(C1OC)N1C3C=CC=CC=3C3=C4CNC(=O)C4=C4C5C=CC=CC=5N2C4=C31,7.52,3hmo_protein.pt,3hmo_pocket.pt,3hmo_ligand.pt
1yq7,O=P(=O)(=O)C(O)(CC1C=NC=CC=1)P(=O)(=O)=O,7.09,1yq7_protein.pt,1yq7_pocket.pt,1yq7_ligand.pt
2vjx,O=C1NCC(CO)C(O)C1O,4.96,2vjx_protein.pt,2vjx_pocket.pt,2vjx_ligand.pt
2j7b,OCC1C(O)C(O)C(O)C2=NN=NN21,6.62,2j7b_protein.pt,2j7b_pocket.pt,2j7b_ligand.pt
5e2p,O=C1C=C(O)C2=CC(=CC=C2N1)C(=O)NC(CC1C=CC=CC=1)C(=O)NCCC1C=C(Cl)C=CC=1N1C=NN=N1,8.8,5e2p_protein.pt,5e2p_pocket.pt,5e2p_ligand.pt
3vfb,COC1C=CC(=CC=1)S(=O)(=O)N(CC1CCC(=O)N1)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CC2CCOC2C1,9.04,3vfb_protein.pt,3vfb_pocket.pt,3vfb_ligand.pt
5e74,CC(=O)N1C=C(C2C=CC=CC=21)N(C(=O)C1C=CC=C(C=1)C(F)(F)F)C1C=C(O)C=CC=1C,4.41,5e74_protein.pt,5e74_pocket.pt,5e74_ligand.pt
4djy,CC#CC1=CN=CC(=C1)C1=CC=CC(=C1)C1(N[C+](=N)N(C)C1=O)C1CC1,8.27,4djy_protein.pt,4djy_pocket.pt,4djy_ligand.pt
6eiq,COC1C=C(C=CC=1NC1=NC(N)=C(S1)C(=O)C1C=CC=CC=1)N1CC[NH+](C)CC1,6.42,6eiq_protein.pt,6eiq_pocket.pt,6eiq_ligand.pt
2jgs,O=C([O-])CCCCC1SCC2NC(=O)NC21,6.62,2jgs_protein.pt,2jgs_pocket.pt,2jgs_ligand.pt
3zdv,COC1OC(CNS(=O)(=O)C2C(C)=CC(C)=CC=2C)C(O)C(O)C1O,5.48,3zdv_protein.pt,3zdv_pocket.pt,3zdv_ligand.pt
2j77,OCC1[NH2+]CC(O)C(O)C1O,4.89,2j77_protein.pt,2j77_pocket.pt,2j77_ligand.pt
4llj,NC1NC(N)=C2C=CC=CC=12,3.42,4llj_protein.pt,4llj_pocket.pt,4llj_ligand.pt
2ya8,CCC(CC)OC1C=C(CC([NH3+])C1NC(C)=O)C(=O)[O-],5.75,2ya8_protein.pt,2ya8_pocket.pt,2ya8_ligand.pt
5ha1,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC[NH3+],7.19,5ha1_protein.pt,5ha1_pocket.pt,5ha1_ligand.pt
3o56,CCN1N=CC2C(NC3CCOCC3)=C(C=NC=21)C1=NC(CC(=O)N2CCCC2)=NO1,9.1,3o56_protein.pt,3o56_pocket.pt,3o56_ligand.pt
3djp,O=C1C=CN(C(=O)N1)C1OC(CO)C(OP(=O)(=O)=O)C1O,4.2,3djp_protein.pt,3djp_pocket.pt,3djp_ligand.pt
2y81,O=C1C(CCN1C1=CC=C(C=C1F)C1CCC[NH2+]1)NS(=O)(=O)C1C=CC2C=C(Cl)C=CC=2C=1,8.7,2y81_protein.pt,2y81_pocket.pt,2y81_ligand.pt
3pwk,O=C([O-])C1CCC(CC1)C(=O)[O-],3.35,3pwk_protein.pt,3pwk_pocket.pt,3pwk_ligand.pt
6ey8,CN(CC1C=CC(Cl)=CC=1)C(=O)C1C=C2C(=CC=1O)NN=C2CC1C=CC=CC=1,5.81,6ey8_protein.pt,6ey8_pocket.pt,6ey8_ligand.pt
3ip9,[NH3+]CCCC(=O)[O-],5.62,3ip9_protein.pt,3ip9_pocket.pt,3ip9_ligand.pt
1ypj,CCC1C2C(C(=O)N1CC1=CC=C3OCOC3=C1)C(C1C=CC(=CC=1)[C+](=N)=N)[NH+](C)C2(C)C,7.02,1ypj_protein.pt,1ypj_pocket.pt,1ypj_ligand.pt
5exm,COC(=O)NC1C=CC(=CC=1)C1=CC=NC(=C1)C(CC1C=CC=CC=1)NC(=O)C1CCC(C[NH3+])CC1,8.2,5exm_protein.pt,5exm_pocket.pt,5exm_ligand.pt
5laq,COC1C=CC(=CC=1OCCCCOC1C=CC(=CC=1)C1=NN=NN1)C1=NN(C(=O)C2CC=CCC12)C1CCCCCC1,9.2,5laq_protein.pt,5laq_pocket.pt,5laq_ligand.pt
4y2q,FC(F)(F)C1C=CC=NC=1N1CC[NH2+]CC1,2.92,4y2q_protein.pt,4y2q_pocket.pt,4y2q_ligand.pt
2d3u,CC1C=CC=CC=1S(=O)(=O)NC1C=C(SC=1C(=O)[O-])C1C=CC(C#N)=CC=1,6.92,2d3u_protein.pt,2d3u_pocket.pt,2d3u_ligand.pt
6dq4,O=C([O-])CCNC1C=C(N=C(N=1)C1C=CC=CN=1)N1CCC2C=CC=CC=2CC1,4.92,6dq4_protein.pt,6dq4_pocket.pt,6dq4_ligand.pt
5nxo,NS(=O)(=O)C1C=CC(=CC=1)CC1C=CC(=CC=1)[N+](=O)[O-],8.31,5nxo_protein.pt,5nxo_pocket.pt,5nxo_ligand.pt
1v2t,COC(=O)C(CC1=CC=CC(=C1)[C+](=N)=N)NC(=O)CNS(=O)(=O)C1C=CC(C)=CC=1,4.71,1v2t_protein.pt,1v2t_pocket.pt,1v2t_ligand.pt
4ha5,CN1C(=O)CC(C)(N[C+]1=N)C1=CC(=CS1)C1C=C(C#N)C=CC=1,7.24,4ha5_protein.pt,4ha5_pocket.pt,4ha5_ligand.pt
4gg7,O=[N+]([O-])C1C=C(C=CC=1)CNC1=NC(=NC2N=CC(=CC=21)C1C=NN(C=1)C1CC[NH2+]CC1)C(F)(F)F,8.2,4gg7_protein.pt,4gg7_pocket.pt,4gg7_ligand.pt
4dew,O=C1C=C(OC2C=C(O)C=C(O)C=21)C1C=CC(O)=C(O)C=1,7.0,4dew_protein.pt,4dew_pocket.pt,4dew_ligand.pt
1xjd,C[NH2+]C1CC2OC(C)(C1OC)N1C3C=CC=CC=3C3C4CNC(=O)C=4C4C5=CC=CC=C5N2C=4C=31,9.48,1xjd_protein.pt,1xjd_pocket.pt,1xjd_ligand.pt
6cvv,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.12,6cvv_protein.pt,6cvv_pocket.pt,6cvv_ligand.pt
6csq,O=C(NO)C1CCCCC1,6.39,6csq_protein.pt,6csq_pocket.pt,6csq_ligand.pt
3zbx,FC1C=CC(=CC=1)C1C=NC2=NN=C(CC3C=CC4=NC=CC=C4C=3)N2N=1,8.22,3zbx_protein.pt,3zbx_pocket.pt,3zbx_ligand.pt
2xbx,CS(=O)(=O)N1CC(C(=O)NC2C=CC(Cl)=CC=2)C(C1)C(=O)NC1C=CC(=CC=1F)N1C=CC=CC1=O,7.82,2xbx_protein.pt,2xbx_pocket.pt,2xbx_ligand.pt
1c5t,N=[C+](=N)C1=CC2C=CC=NC=2S1,4.1,1c5t_protein.pt,1c5t_pocket.pt,1c5t_ligand.pt
6epz,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,7.14,6epz_protein.pt,6epz_pocket.pt,6epz_ligand.pt
4exs,CC(CS)C(=O)N1CCCC1C(=O)[O-],4.41,4exs_protein.pt,4exs_pocket.pt,4exs_ligand.pt
1qhc,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OC2CC(OC2COP(=O)(=O)=O)N2C=CC(=O)NC2=O)C(OP(=O)(=O)=O)C1O,7.57,1qhc_protein.pt,1qhc_pocket.pt,1qhc_ligand.pt
2r0h,CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C(O)C2NC(C)=O)C1O,3.51,2r0h_protein.pt,2r0h_pocket.pt,2r0h_ligand.pt
4i7j,C1=CC=CC=C1,3.32,4i7j_protein.pt,4i7j_pocket.pt,4i7j_ligand.pt
2uy5,C1=COC(=C1)CNC1=NC=NC2NC=NC=21,5.49,2uy5_protein.pt,2uy5_pocket.pt,2uy5_ligand.pt
4kxb,CC(C)CC(NC(=O)C(O)C([NH3+])CC1C=CC=CC=1)C(=O)[O-],4.12,4kxb_protein.pt,4kxb_pocket.pt,4kxb_ligand.pt
6d5j,CC1=CC(=CC(C)=C1F)CN1C2=CC(Cl)=CC=C2N=C1N1CC[NH2+]CC1,6.34,6d5j_protein.pt,6d5j_pocket.pt,6d5j_ligand.pt
3hl5,C[NH2+]C(C)C(=O)NC(C(=O)N1CCC(C)C1C(=O)NC1=CC=CC=C1C1N=CC=CN=1)C1CCCCC1,4.47,3hl5_protein.pt,3hl5_pocket.pt,3hl5_ligand.pt
4nyf,CC1N=C2C=CC=CC2=C(C2C=CC(Cl)=CC=2)C=1C(OC(C)(C)C)C(=O)[O-],7.31,4nyf_protein.pt,4nyf_pocket.pt,4nyf_ligand.pt
3jrs,CC1=CC(O)=CC(C)(C)C1(O)C=CC(C)CC(=O)[O-],4.28,3jrs_protein.pt,3jrs_pocket.pt,3jrs_ligand.pt
2xm2,CC(=O)NC1C(=NO)OC(CO)C(O)C1O,4.62,2xm2_protein.pt,2xm2_pocket.pt,2xm2_ligand.pt
5mes,CN1CCC[NH2+]C(CC(=O)NC2CCC3C=CC=CC=3N(CC(=O)NC(CC1=O)CC1=CC=C(Cl)C(=C1)CCC1C=CC=CC=1)C2=O)CC1C=CC(Cl)=CC=1,6.47,5mes_protein.pt,5mes_pocket.pt,5mes_ligand.pt
1f0s,O=C1C(CCN1CC1=CC2=CC=NC=C2N1)NS(=O)(=O)C1=CC2=NC=CC=C2S1,7.74,1f0s_protein.pt,1f0s_pocket.pt,1f0s_ligand.pt
4uoh,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.77,4uoh_protein.pt,4uoh_pocket.pt,4uoh_ligand.pt
2zx7,CC1[NH2+]C(CNC(=O)C2=CC3=CC=CC=C3N2)C(O)C(O)C1O,10.49,2zx7_protein.pt,2zx7_pocket.pt,2zx7_ligand.pt
4gkh,CC(C)(C)N1N=C(C2=CC=CC3=CC=CC=C32)C2C1=NC=NC=2N,4.67,4gkh_protein.pt,4gkh_pocket.pt,4gkh_ligand.pt
1ork,C[NH+](C)CC(=O)NC1C=CC2CC3CC4C(C(O)=C(C(N)=O)C(=O)C4(O)C(O)=C3C(=O)C=2C=1O)[NH+](C)C,8.81,1ork_protein.pt,1ork_pocket.pt,1ork_ligand.pt
3eax,O=C(CC(=O)C1C=CC=C(C=1)OCC1C=CCCC=1)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)C1C=CC=C(C=1)OCC1C=CC=CC1,4.92,3eax_protein.pt,3eax_pocket.pt,3eax_ligand.pt
2hb1,O=C([O-])COC1C(Br)=CSC=1C(=O)[O-],3.8,2hb1_protein.pt,2hb1_pocket.pt,2hb1_ligand.pt
5vl2,O=C(NC1C=CC(Cl)=CC=1)NC1C=CC(Cl)=C(Cl)C=1,8.42,5vl2_protein.pt,5vl2_pocket.pt,5vl2_ligand.pt
1wn6,CN(CCC([NH3+])CC(=O)NC1C=CC(OC1C(=O)[O-])N1C=CC([NH3+])(O)NC1=O)C(N)=[NH2+],4.68,1wn6_protein.pt,1wn6_pocket.pt,1wn6_ligand.pt
3c4h,CC1=NC2CCSCC=2C(=O)N1,5.7,3c4h_protein.pt,3c4h_pocket.pt,3c4h_ligand.pt
1gyy,O=C([O-])C(F)=CC1C=CC(O)=CC=1,3.64,1gyy_protein.pt,1gyy_pocket.pt,1gyy_ligand.pt
1i2s,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-],3.31,1i2s_protein.pt,1i2s_pocket.pt,1i2s_ligand.pt
4jfm,COC1=CC=C(C=C1OC)OCCOC(=O)C1CCCCN1S(=O)(=O)C1C=CC2NC(=O)SC=2C=1,5.48,4jfm_protein.pt,4jfm_pocket.pt,4jfm_ligand.pt
1mrs,O=C1NC(=O)N(C=C1CO)C1CC(O)C(COP(=O)(=O)=O)O1,3.96,1mrs_protein.pt,1mrs_pocket.pt,1mrs_ligand.pt
3a2o,C=C(C)CNC(=O)C1N(CSC1(C)C)C(=O)C(O)C(CC1C=CC=CC=1)NC(=O)COC1C(C)=CC(N)=CC=1C,9.08,3a2o_protein.pt,3a2o_pocket.pt,3a2o_ligand.pt
6hd6,O=C(NC1C=CC(=CC=1)OC(F)(F)F)C1C=CC=C(C=1)C[NH+]1CCOCC1,5.7,6hd6_protein.pt,6hd6_pocket.pt,6hd6_ligand.pt
3f7g,CC([NH3+])C(=O)NC(C(=O)N1CCCC1C(=O)NCC(C1C=CC=CC=1)C1C=CC=CC=1)C(C)C,7.37,3f7g_protein.pt,3f7g_pocket.pt,3f7g_ligand.pt
2rio,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.69,2rio_protein.pt,2rio_pocket.pt,2rio_ligand.pt
2pou,NS(=O)(=O)C1C=C(Cl)C(Cl)=C(C=1)S(N)(=O)=O,7.42,2pou_protein.pt,2pou_pocket.pt,2pou_ligand.pt
5jq5,CC(C)C1C=NN2C(=CC(=NC=12)NCC1CC[NH2+]CC1O)NCC1C=CC=CC=1,5.63,5jq5_protein.pt,5jq5_pocket.pt,5jq5_ligand.pt
3l3m,NC(=O)C1C=CC=C2NC(=NC=12)C1C=CC(=CC=1F)C1CCCC[NH2+]1,8.22,3l3m_protein.pt,3l3m_pocket.pt,3l3m_ligand.pt
1fpc,CCC1CCN(CC1)C(=O)C(CCCNC(N)=[NH2+])NS(=O)(=O)C1=CC=CC2C(=CC=CC=21)N(C)C,7.0,1fpc_protein.pt,1fpc_pocket.pt,1fpc_ligand.pt
3ikg,CC1C=CC=C(C=1)CC(COP(=O)(=O)=O)NC(=O)C1=CC2C=CC=CC=2S1,7.24,3ikg_protein.pt,3ikg_pocket.pt,3ikg_ligand.pt
1afk,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,6.62,1afk_protein.pt,1afk_pocket.pt,1afk_ligand.pt
1ele,CC(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)C(=O)NC1C=CC(=CC=1)C(F)(F)F,6.85,1ele_protein.pt,1ele_pocket.pt,1ele_ligand.pt
5mjn,NS(=O)(=O)[C]1CC=C(SCC2C=CC(Cl)=CC=2)S1,8.54,5mjn_protein.pt,5mjn_pocket.pt,5mjn_ligand.pt
3ryz,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)F,8.62,3ryz_protein.pt,3ryz_pocket.pt,3ryz_ligand.pt
4ykj,CC([NH3+])C(=O)[O-],4.43,4ykj_protein.pt,4ykj_pocket.pt,4ykj_ligand.pt
4nra,CC(=O)N1C=CC2=NC3=CC=C(Cl)C=C3C2=C1,4.19,4nra_protein.pt,4nra_pocket.pt,4nra_ligand.pt
1qkt,CC12CCC3C4C=CC(O)=CC=4CCC3C1CCC2O,9.04,1qkt_protein.pt,1qkt_pocket.pt,1qkt_ligand.pt
5m28,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,4.32,5m28_protein.pt,5m28_pocket.pt,5m28_ligand.pt
4gid,CC(C)CNC(=O)C([NH2+]CC(CC1C=CC=CC=1)NC(=O)C1=CC(=CC(=C1)N(C)S(C)(=O)=O)C(=O)NC(C)C1C=CC=CC=1)C(C)O,10.77,4gid_protein.pt,4gid_pocket.pt,4gid_ligand.pt
2uwo,CC(=CS(=O)(=O)NC1CCN(C1=O)C(C)C(=O)N1CCOCC1)C1=CC=C(Cl)S1,8.7,2uwo_protein.pt,2uwo_pocket.pt,2uwo_ligand.pt
1ws4,COC1OC(CO)C(O)C(O)C1O,3.0,1ws4_protein.pt,1ws4_pocket.pt,1ws4_ligand.pt
1izi,CC(C)(C)OC(=O)NC(CC1C=CC=CC=1)C(O)CC(CC1C=CC=CC=1)C(=O)NC(CCC(N)=O)C(=O)NC(CC1C=CC=CC=1)C(N)=O,6.59,1izi_protein.pt,1izi_pocket.pt,1izi_ligand.pt
3c2r,O=C([O-])C1=CC=CC=C1C(=O)[O-],3.11,3c2r_protein.pt,3c2r_pocket.pt,3c2r_ligand.pt
3s72,NS(=O)(=O)C1=NC2=CC=CC=C2N1,6.4,3s72_protein.pt,3s72_pocket.pt,3s72_ligand.pt
4fl2,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)NP(=O)(=O)=O)C(O)C1O,3.66,4fl2_protein.pt,4fl2_pocket.pt,4fl2_ligand.pt
2qwd,CC(=O)NC1C([NH3+])C=C(OC1C(O)C(O)CO)C(=O)[O-],4.85,2qwd_protein.pt,2qwd_pocket.pt,2qwd_ligand.pt
5wex,NS(=O)(=O)C1C=CC(=CC=1)N=C(S)NC1C=CC(F)=CC=1,7.18,5wex_protein.pt,5wex_pocket.pt,5wex_ligand.pt
1gi7,N=[C+](=N)C1C=CC2NC(=NC=2C=1)C1=CC=CNC1=O,4.51,1gi7_protein.pt,1gi7_pocket.pt,1gi7_ligand.pt
4kz4,CCCS(=O)(=O)NC1C=CC=CC=1C(=O)[O-],4.15,4kz4_protein.pt,4kz4_pocket.pt,4kz4_ligand.pt
4cr9,CC1=CC(N)=NC2C=CC(N)=CC=21,4.1,4cr9_protein.pt,4cr9_pocket.pt,4cr9_ligand.pt
2qwe,CC(=O)NC1C(C=C(OC1C(O)C(O)CO)C(=O)[O-])NC(N)=[NH2+],7.48,2qwe_protein.pt,2qwe_pocket.pt,2qwe_ligand.pt
2ojj,O=C(NC(CO)C1C=C(Cl)C(F)=CC=1)C1=CC(=CN1)C1NN=CC=1C1C=C(Cl)C=CC=1,8.7,2ojj_protein.pt,2ojj_pocket.pt,2ojj_ligand.pt
1uwf,CCCCOC1OC(CO)C(O)C(O)C1O,6.82,1uwf_protein.pt,1uwf_pocket.pt,1uwf_ligand.pt
1gpn,CC1=CC2CC3NC(=O)C=CC=3C3(C1)[NH2+]CCCC23,6.48,1gpn_protein.pt,1gpn_pocket.pt,1gpn_ligand.pt
1thz,CC1C=C(C=CC=1N1NC(C)=C(N=NC2C=C(C=CC=2C(=O)[O-])S(=O)(=O)[O-])C1=O)S(=O)(=O)[O-],5.15,1thz_protein.pt,1thz_pocket.pt,1thz_ligand.pt
5xpi,CC[NH+](CC)CCCNC(=O)CN1N=C(C)N2C(=CC3SC=CC=32)C1=O,5.28,5xpi_protein.pt,5xpi_pocket.pt,5xpi_ligand.pt
3l4y,O=S(=O)([O-])OC(C(O)C[S+]1CC(O)C(O)C1CO)C(O)C(O)C(O)CO,7.0,3l4y_protein.pt,3l4y_pocket.pt,3l4y_ligand.pt
1px4,CC(C)SC1OC(CO)C(O)C(O)C1O,3.23,1px4_protein.pt,1px4_pocket.pt,1px4_ligand.pt
2h15,CC1(C)OC2COC3(CNS(N)(=O)=O)OC(C)(C)OC3C2O1,5.67,2h15_protein.pt,2h15_pocket.pt,2h15_ligand.pt
1x1z,O=C1C=C(O)N(C(=O)N1)C1OC(COP(=O)(=O)=O)C(O)C1O,11.06,1x1z_protein.pt,1x1z_pocket.pt,1x1z_ligand.pt
2bq7,COC1C=CC=C(C=1)CN1C(=CC2C=CC=CC=21)C(=O)NC1CC[NH+](CC1)C(C)C,7.05,2bq7_protein.pt,2bq7_pocket.pt,2bq7_ligand.pt
1l83,C1=CC=CC=C1,3.4,1l83_protein.pt,1l83_pocket.pt,1l83_ligand.pt
4zwz,COC(=O)C1CC(CN1S(=O)(=O)C1OC(CO)C(O)C(O)C1O)OS(N)(=O)=O,8.7,4zwz_protein.pt,4zwz_pocket.pt,4zwz_ligand.pt
5yjm,CCC(NC(=O)N1CC(=NOC2C=CC=CC=2)NCC(CC2C=C(Cl)C=CC=2OC)C1=O)C1C=CC(C(=O)[O-])=C(N)C=1,7.68,5yjm_protein.pt,5yjm_pocket.pt,5yjm_ligand.pt
5wyz,CC1C=C(C=CC=1O)C1=CC=NC2=CC(O)=CC=C21,7.68,5wyz_protein.pt,5wyz_pocket.pt,5wyz_ligand.pt
6fhk,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,7.51,6fhk_protein.pt,6fhk_pocket.pt,6fhk_ligand.pt
1o5c,CC1CCCCC1OC1C=CC=C(C2=NC3=CC(=C(F)C=C3N2)[C+](=N)=N)C=1O,5.22,1o5c_protein.pt,1o5c_pocket.pt,1o5c_ligand.pt
1kmy,OC1C=CC=C(C2C=CC=CC=2)C=1O,5.1,1kmy_protein.pt,1kmy_pocket.pt,1kmy_ligand.pt
4rr6,NC1N=CN=C2C=1N=CN2C1OC(CO)C(NC(=O)C([NH3+])CO)C1O,6.0,4rr6_protein.pt,4rr6_pocket.pt,4rr6_ligand.pt
1kzk,CC1C=CC=CC=1CNC(=O)C1N(CSC1(C)C)C(=O)C(O)C(CC1C=CC=CC=1)NC(=O)C1=CC=CC(O)=C1C,10.39,1kzk_protein.pt,1kzk_pocket.pt,1kzk_ligand.pt
6hai,COC1C(=CC=C(C(=O)[O-])C=1O)NC(=O)C1=CC=C(NC(=O)C2C=CC(=CC=2)N2C(=O)CC(NC(=O)C3C=CC(=CC=3)NC(=O)C(C)=CC3C=CC(O)=CC=3)C2=O)C(OC)=C1O,7.94,6hai_protein.pt,6hai_pocket.pt,6hai_ligand.pt
5fnd,CC(=O)NC1=CC2N=C(N)SC=2C=C1C,3.49,5fnd_protein.pt,5fnd_pocket.pt,5fnd_ligand.pt
4cps,COC(=O)NC(C(=O)N[NH+](CCCC1(O)CC2C=CC(=CC=2)CC=CCNC(=O)C(NC1=O)C(C)C)CC1C=CC(=CC=1)C1C=CN=CC=1)C(C)(C)C,8.27,4cps_protein.pt,4cps_pocket.pt,4cps_ligand.pt
3ml5,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,8.52,3ml5_protein.pt,3ml5_pocket.pt,3ml5_ligand.pt
2xg9,OCC1[NH2+]CC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,4.15,2xg9_protein.pt,2xg9_pocket.pt,2xg9_ligand.pt
5wuk,CS(=O)(=O)C1C=CC(=CC=1)C1=CN=C(NCC2=CC=CO2)N2C=NN=C12,7.85,5wuk_protein.pt,5wuk_pocket.pt,5wuk_ligand.pt
1r0p,COC(=O)C1(O)CC2OC1(C)N1C3C=CC=CC=3C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C31,8.0,1r0p_protein.pt,1r0p_pocket.pt,1r0p_ligand.pt
2v7a,COC(C(=O)N1CC2NN=C(NC(=O)C3C=CC(=CC=3)N3CC[NH+](C)CC3)C=2C1)C1C=CC=CC=1,8.3,2v7a_protein.pt,2v7a_pocket.pt,2v7a_ligand.pt
3bgz,O=C([O-])C1C=CC=C2C=1NC(C1C=CC=CC=1)=C2C1C=CC=CC=1,6.26,3bgz_protein.pt,3bgz_pocket.pt,3bgz_ligand.pt
5jg1,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC12CC3CC(CC(C3)C1)C2)NC(=O)OC1COC2OCCCC12,8.72,5jg1_protein.pt,5jg1_pocket.pt,5jg1_ligand.pt
5ucj,CC(C)C1=CC(C(=O)N2C=C3C=CC(F)=CC3=C2)=C(O)C2C=NOC=21,6.36,5ucj_protein.pt,5ucj_pocket.pt,5ucj_ligand.pt
3juo,O=C([O-])C1C=C(Br)C=CC=1NC1CCC[NH2+]C1,5.07,3juo_protein.pt,3juo_pocket.pt,3juo_ligand.pt
4ea2,CC(C)=CCCC(C)=CC[NH2+]CC[NH2+]C1C2CC3CC(C2)CC1C3,6.44,4ea2_protein.pt,4ea2_pocket.pt,4ea2_ligand.pt
1nvs,O=C1NC(=O)C2C1=C1C3C=CC=CC=3N3C1=C1C=2C2C=CC=CC=2N1C1CCC3O1,7.82,1nvs_protein.pt,1nvs_pocket.pt,1nvs_ligand.pt
3rz0,CCCCNC(=O)C1C=CC(=CC=1)S(N)(=O)=O,7.55,3rz0_protein.pt,3rz0_pocket.pt,3rz0_ligand.pt
3ivg,COC1=CC=C2C(=C1)C=C(CNS(=O)(=O)C1=CC3=CC=CC=C3O1)N2CC(=O)[O-],4.3,3ivg_protein.pt,3ivg_pocket.pt,3ivg_ligand.pt
1pvn,NC(=O)C1=NCN(C1=O)C1OC(COP(=O)(=O)=O)C(O)C1O,9.82,1pvn_protein.pt,1pvn_pocket.pt,1pvn_ligand.pt
4zyf,COC1=CC2CC(=O)N(C3C=CC(=CC=3)N(C)CC3CCC(CC3)[NH+]3CCN(C)C(=O)C3)C(C3C=CC(Cl)=CC=3)C=2C=C1OC(C)C,8.64,4zyf_protein.pt,4zyf_pocket.pt,4zyf_ligand.pt
4pin,C[NH+](C)C(CC1=CNC=N1)C(=O)[O-],5.4,4pin_protein.pt,4pin_pocket.pt,4pin_ligand.pt
4mrw,OC1=CC=NC2C=C(Cl)C=CC=21,3.3,4mrw_protein.pt,4mrw_pocket.pt,4mrw_ligand.pt
6cfc,CC(=O)NC1C(OC2CC([NH2+]C2CO)C(=O)NCCS(=O)(=O)[O-])OC(CO)C(OS(=O)(=O)[O-])C1O,3.68,6cfc_protein.pt,6cfc_pocket.pt,6cfc_ligand.pt
2xyt,COC1=CC2CC[NH+](C)C3CC4C=CC(=CC=4)OC4=C(O)C(=CC5CC[N+](C)(C)C(CC6C=CC(O)=C(C=6)OC1=CC=23)C=54)OC,6.29,2xyt_protein.pt,2xyt_pocket.pt,2xyt_ligand.pt
1o33,N=[C+](=N)C1C=C2N=C(NC2=CC=1)C1=NC=CC=C1O,5.74,1o33_protein.pt,1o33_pocket.pt,1o33_ligand.pt
6f05,[NH3+]C(CCC(=O)NC(CS(=O)(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-],4.47,6f05_protein.pt,6f05_pocket.pt,6f05_ligand.pt
3pcj,O=C([O-])C1C=CN(O)C(=O)C=1,7.22,3pcj_protein.pt,3pcj_pocket.pt,3pcj_ligand.pt
3hfb,CC1=CC=CC=C1C1=CC=CC=C1CNC1=CN=C(C=N1)C1C=CC(=CC=1)CC([NH3+])C(=O)[O-],7.52,3hfb_protein.pt,3hfb_pocket.pt,3hfb_ligand.pt
3dx1,[NH3+]C1CC(O)C(O)C1O,3.58,3dx1_protein.pt,3dx1_pocket.pt,3dx1_ligand.pt
4jsz,NS(=O)(=O)C1C=CC=CC=1,2.3,4jsz_protein.pt,4jsz_pocket.pt,4jsz_ligand.pt
2gzl,CN(C)C1=CC=CC2C(=CC=CC=21)S(=O)(=O)NCCO[P](=O)(=O)O[P](=O)(=O)OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O,4.82,2gzl_protein.pt,2gzl_pocket.pt,2gzl_ligand.pt
2bvd,OCC1C[NH2+]CC(OC2OC(CO)C(O)C(O)C2O)C1O,6.0,2bvd_protein.pt,2bvd_pocket.pt,2bvd_ligand.pt
3u92,C=C(C)C1C[NH2+]C(C(=O)[O-])C1CC(=O)[O-],7.48,3u92_protein.pt,3u92_pocket.pt,3u92_ligand.pt
5j8u,O=C1NN=C(C2C=CC(O)=CC=2O)N1C1C=CC=CC=1F,6.47,5j8u_protein.pt,5j8u_pocket.pt,5j8u_ligand.pt
3q6z,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(O)C(O)C2O)C(O)C1O,3.72,3q6z_protein.pt,3q6z_pocket.pt,3q6z_ligand.pt
2fle,CC(C)C(NC(=O)N(C)CC1=CC=CC=N1)C(=O)NC(CC1CCCCC1)C(O)C(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)N(C)CC1C=CC=CN=1)C(C)C,7.85,2fle_protein.pt,2fle_pocket.pt,2fle_ligand.pt
4cp7,CCCNC(=O)C(NC(=O)C(O)(CCC[NH+](CC1C=CC(=CC=1)C1C=CN=CC=1)NC(=O)C(NC(=O)OC)C(C)(C)C)CC1C=CC(=CC=1)CCC)C(C)C,8.11,4cp7_protein.pt,4cp7_pocket.pt,4cp7_ligand.pt
2xht,CC(C)(C)C1=CC(=CC=C1O)C(=O)N1CCOCC1,5.96,2xht_protein.pt,2xht_pocket.pt,2xht_ligand.pt
2xys,OC1CC2OCC=C3C[NH+]4CCC56C7=CC=CC=C7N1C5C2C3CC46,7.42,2xys_protein.pt,2xys_pocket.pt,2xys_ligand.pt
6cks,CCS(=O)(=O)C1C=CC(OC)=C(C=1)C1=CN(C)C(=O)C2=CC=C(C=C21)C1C=NN(C)C=1,7.82,6cks_protein.pt,6cks_pocket.pt,6cks_ligand.pt
4n9a,O=C([O-])C1CCCC2C3=CC(Cl)=CC=C3NC=21,4.19,4n9a_protein.pt,4n9a_pocket.pt,4n9a_ligand.pt
4ew2,CSC(CCCC1C(=[NH2+])NC(=[NH2+])NC1=O)C1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],6.68,4ew2_protein.pt,4ew2_pocket.pt,4ew2_ligand.pt
4djo,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OCCNC(=O)C(Cl)Cl)S(=O)(=O)C1C=CC(=CC=1)OC,11.52,4djo_protein.pt,4djo_pocket.pt,4djo_ligand.pt
1j14,N=[C+](=N)C1C=CC=CC=1,4.49,1j14_protein.pt,1j14_pocket.pt,1j14_ligand.pt
2v77,CC(CC(CC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-],5.06,2v77_protein.pt,2v77_pocket.pt,2v77_ligand.pt
5dwr,CC1CC([NH3+])CC(C1)C1=CC=NC=C1NC(=O)C1=CC=C(F)C(=N1)C1C(F)=CC=CC=1F,11.22,5dwr_protein.pt,5dwr_pocket.pt,5dwr_ligand.pt
4det,O=C1C(O)=C(OC2C=C(O)C=C(O)C=21)C1C=CC(O)=CC=1,5.68,4det_protein.pt,4det_pocket.pt,4det_ligand.pt
3sww,COCCN1CC2=C(N=C(C)C(C[NH3+])=C2C2C=CC(Cl)=CC=2Cl)C1=O,8.4,3sww_protein.pt,3sww_pocket.pt,3sww_ligand.pt
1g32,CC1=NC2C=CC=CC=2N1CC1C=CC2=C(C=1)N=C(CNC1C=CC(=CC=1)[C+](=N)=N)N2C,6.11,1g32_protein.pt,1g32_pocket.pt,1g32_ligand.pt
1eby,O=C(NC1C2=CC=CC=C2CC1O)C(OCC1C=CC=CC=1)C(O)C(O)C(OCC1C=CC=CC=1)C(=O)NC1C2=CC=CC=C2CC1O,9.7,1eby_protein.pt,1eby_pocket.pt,1eby_ligand.pt
1qy1,COC1=NC=CN=C1CC(C)C,6.52,1qy1_protein.pt,1qy1_pocket.pt,1qy1_ligand.pt
5op5,N#CC1C=CC=C(C=1)C1=CNC2=NC=NC(=C12)N1CCOCC1,6.67,5op5_protein.pt,5op5_pocket.pt,5op5_ligand.pt
5n1s,NS(=O)(=O)C1C=CC(=CC=1)C1=CC2=CC=CC=C2N1,7.99,5n1s_protein.pt,5n1s_pocket.pt,5n1s_ligand.pt
1e2k,CC1=CN(C(=O)NC1=O)C1CC(O)C2(CO)CC12,4.94,1e2k_protein.pt,1e2k_pocket.pt,1e2k_ligand.pt
2xib,CC1[NH2+]CC(O)C(O)C1O,7.26,2xib_protein.pt,2xib_pocket.pt,2xib_ligand.pt
1yc1,CCC1C=C(C(O)=CC=1O)C1=NNC(C(=O)[O-])=C1C1=CC=C2OCOC2=C1,6.17,1yc1_protein.pt,1yc1_pocket.pt,1yc1_ligand.pt
4r5t,CC(C)(C)OC(=O)NC(C(=O)NO)C1C=CC(=CC=1)N1C=CC=N1,6.1,4r5t_protein.pt,4r5t_pocket.pt,4r5t_ligand.pt
5wbo,CC1=CC(C)=C(C#N)C(=N1)N1CCOCC1,4.21,5wbo_protein.pt,5wbo_pocket.pt,5wbo_ligand.pt
3p17,[NH3+]C(CC1C=CC=CC=1)C(=O)N1CCCC1C(=O)NCC1C=CC=NC=1,4.48,3p17_protein.pt,3p17_pocket.pt,3p17_ligand.pt
1c5o,N=[C+](=N)C1C=CC=CC=1,3.49,1c5o_protein.pt,1c5o_pocket.pt,1c5o_ligand.pt
5g5z,OCC1OC(OC2(COC3(CO)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,5.66,5g5z_protein.pt,5g5z_pocket.pt,5g5z_ligand.pt
3iph,CC1=CC=C(C=C1C1=CC=C(C=N1)C(=O)NCC1C=C1)C(=O)NC1CC1,7.6,3iph_protein.pt,3iph_pocket.pt,3iph_ligand.pt
3gi6,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)C1CN(C(=O)O1)C1=CC=CC(=C1)C(F)(F)F,11.22,3gi6_protein.pt,3gi6_pocket.pt,3gi6_ligand.pt
3zk6,CC(=NNC1=NC2=CC=CC=C2S1)C1=CC=C(O1)C1=CC=CC(=C1)S(=O)(=O)NC(=O)CCCCCC1C=CC=CC=1,6.34,3zk6_protein.pt,3zk6_pocket.pt,3zk6_ligand.pt
1p1n,C=C(C)C1C[NH2+]C(C(=O)[O-])C1CC(=O)[O-],6.8,1p1n_protein.pt,1p1n_pocket.pt,1p1n_ligand.pt
1k22,NC(=[NH2+])C1C=CC(=CC=1)CNC(=O)C1CCN1C(=O)C([NH2+]CC(=O)[O-])C1CCCCC1,8.4,1k22_protein.pt,1k22_pocket.pt,1k22_ligand.pt
2y8c,O=C1C=CN(CC(CCOC(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)C(=O)NCCO)C(=O)N1,6.4,2y8c_protein.pt,2y8c_pocket.pt,2y8c_ligand.pt
5cp9,O=C([O-])CCC1=CC=CO1,3.51,5cp9_protein.pt,5cp9_pocket.pt,5cp9_ligand.pt
4dhl,CC1C=CC(=CC=1)C1=NC(=CS1)C(=O)[O-],4.48,4dhl_protein.pt,4dhl_pocket.pt,4dhl_ligand.pt
3qgw,O=C(N=C1CC(=CNC1=O)C1C=CN=CC=1)C1C=CC=CC=1,5.89,3qgw_protein.pt,3qgw_pocket.pt,3qgw_ligand.pt
5dw2,COC1=CC(OC)=C(C(N)=O)C(N)=C1,5.84,5dw2_protein.pt,5dw2_pocket.pt,5dw2_ligand.pt
2qrl,O=C([O-])CNC(=O)C(=O)[O-],4.0,2qrl_protein.pt,2qrl_pocket.pt,2qrl_ligand.pt
2ewa,CS(=O)C1C=CC(=CC=1)C1=NC(C2C=CN=CC=2)=C(N1)C1C=CC(F)=CC=1,7.94,2ewa_protein.pt,2ewa_pocket.pt,2ewa_ligand.pt
4h81,O=C([O-])C(Cl)CC1C=CC=CC=1,5.12,4h81_protein.pt,4h81_pocket.pt,4h81_ligand.pt
2weh,NS(=O)(=O)C1=CC=CC=C1Cl,5.95,2weh_protein.pt,2weh_pocket.pt,2weh_ligand.pt
1yda,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,6.55,1yda_protein.pt,1yda_pocket.pt,1yda_ligand.pt
2oag,CS(=O)(=O)C1C=C(C=CC=1)C1C=C(N=CN=1)N1CC([NH3+])C(C1)C1=CC(F)=C(F)C=C1F,8.47,2oag_protein.pt,2oag_pocket.pt,2oag_ligand.pt
4dfg,COC(=O)NC1COC2CC(CC12)OC(=O)NC(CC1C=CC=CC=1)C(O)CN(CC(C)C)S(=O)(=O)C1C=CC(=CC=1)OC,11.74,4dfg_protein.pt,4dfg_pocket.pt,4dfg_ligand.pt
4fcq,CSC1=NC2NC=C(C#N)C=2C(=N1)C1=CC=C(C)C=C1C,7.0,4fcq_protein.pt,4fcq_pocket.pt,4fcq_ligand.pt
1yqj,C1=CC=C(C=C1)CC1CN(CC[NH2+]1)C1C=C(C2C=CN=CC=2)C(=NN=1)C1C=CC2C=CC=CC=2C=1,8.14,1yqj_protein.pt,1yqj_pocket.pt,1yqj_ligand.pt
3r17,NS(=O)(=O)C1C=CC(NC(=O)CC2=CC=CS2)=C(F)C=1,6.41,3r17_protein.pt,3r17_pocket.pt,3r17_ligand.pt
4agl,C[NH+](C)CC1C=C(I)C=C(I)C=1O,3.65,4agl_protein.pt,4agl_pocket.pt,4agl_ligand.pt
2bfq,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(O)C(O)C2O)C(O)C1O,6.89,2bfq_protein.pt,2bfq_pocket.pt,2bfq_ligand.pt
4yhm,CN1C2=CC=C(C=C2N=C1CNC1C=CC(=CC=1)C(N)=[NH2+])C(=O)N(CCC(=O)[O-])C1=CC=CC=N1,9.76,4yhm_protein.pt,4yhm_pocket.pt,4yhm_ligand.pt
3m1k,ON1CC=CC=C1S,5.39,3m1k_protein.pt,3m1k_pocket.pt,3m1k_ligand.pt
1hps,CC(C)C(=O)C1=CN=C(N1)C(CC1C=CC=CC=1)CC(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)OCC1C=CC=CC=1)C(C)C,9.22,1hps_protein.pt,1hps_pocket.pt,1hps_ligand.pt
1sbg,CC(C)C(NC(=O)C(CC1C=CC=CC=1)CC(O)C(CC1C=CC=CC=1)NC(=O)OC(C)(C)C)C1=NC=CN1,7.74,1sbg_protein.pt,1sbg_pocket.pt,1sbg_ligand.pt
1my4,[NH3+]C(CN1C=C(I)C(=O)NC1=O)C(=O)[O-],6.98,1my4_protein.pt,1my4_pocket.pt,1my4_ligand.pt
4kiu,O=C([O-])C1=CC(=CC(=C1)C(=O)[O-])OCC1C=CC=C(C=1)[N+](=O)[O-],3.85,4kiu_protein.pt,4kiu_pocket.pt,4kiu_ligand.pt
1enu,NC1=CC=C2C(=O)NNC(=O)C2=C1,5.08,1enu_protein.pt,1enu_pocket.pt,1enu_ligand.pt
2vw1,CC(=O)NC1C(O)C=C(OC1C(O)C(O)CO)C(=O)[O-],3.52,2vw1_protein.pt,2vw1_pocket.pt,2vw1_ligand.pt
6hlx,O=C([O-])C1CCC(=O)N1CC(O)C(O)C(O)C(O)CO,7.17,6hlx_protein.pt,6hlx_pocket.pt,6hlx_ligand.pt
1b55,O=P(=O)(=O)OC1C(O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,7.4,1b55_protein.pt,1b55_pocket.pt,1b55_ligand.pt
3ckz,CC(=O)NC1C(C=C(OC1C(O)C(O)CO)C(=O)[O-])NC(N)=[NH2+],8.72,3ckz_protein.pt,3ckz_pocket.pt,3ckz_ligand.pt
1m2q,O=C1C2C(=CC=CC=2O)OC2C(=CC=C(O)C=21)[N+](=O)[O-],6.1,1m2q_protein.pt,1m2q_pocket.pt,1m2q_ligand.pt
3udd,COC1C=CC(=CC=1)C1N=C(CSC2=NN=C(C)N2C2C=CC(=CC=2)OC)ON=1,7.1,3udd_protein.pt,3udd_pocket.pt,3udd_ligand.pt
3mdz,CCOC1=CC=C2N=C(SC2=C1)S(N)(=O)=O,9.1,3mdz_protein.pt,3mdz_pocket.pt,3mdz_ligand.pt
1bnn,COC1=CC=CC(=C1)N1CCC2C=C(SC=2S1(=O)=O)S(N)(=O)=O,10.0,1bnn_protein.pt,1bnn_pocket.pt,1bnn_ligand.pt
5u0e,O=C1NC(=S)SC1CC1C=CC=CC=1,5.11,5u0e_protein.pt,5u0e_pocket.pt,5u0e_ligand.pt
6equ,NS(=O)(=O)C1C=CC(=CC=1)CCN1C(=CC(=CC1C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1,6.38,6equ_protein.pt,6equ_pocket.pt,6equ_ligand.pt
6gla,N#CC=CC1=CC=C(O1)C1=NC2=CN=C3NC=CC3=C2N1C1CCCCC1,7.57,6gla_protein.pt,6gla_pocket.pt,6gla_ligand.pt
4zzd,CC1=CC2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)C=2C=C1C,6.6,4zzd_protein.pt,4zzd_pocket.pt,4zzd_ligand.pt
5jfp,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC12CC3CC(CC(C3)C1)C2)NC(=O)OC1COC2OCCC12,9.32,5jfp_protein.pt,5jfp_pocket.pt,5jfp_ligand.pt
1tq4,NC1=NC2=C(N=CN2C2OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C2O)C(=O)N1,6.19,1tq4_protein.pt,1tq4_pocket.pt,1tq4_ligand.pt
3daz,CC(=O)NC1SC(=N[N+]=1C)S(N)(=O)=O,7.93,3daz_protein.pt,3daz_pocket.pt,3daz_ligand.pt
4r76,NC1C=CC=C(C=1)C(=O)NC(C(=O)NO)C1C=CC(=CC=1)N1C=CC=N1,7.85,4r76_protein.pt,4r76_pocket.pt,4r76_ligand.pt
2x4z,CC1=NC2C=CSC=2C(=N1)NC1=NNC2=C1CN(C(=O)NC(C[NH+](C)C)C1C=CC=CC=1)C2(C)C,8.57,2x4z_protein.pt,2x4z_pocket.pt,2x4z_ligand.pt
2xbp,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.02,2xbp_protein.pt,2xbp_pocket.pt,2xbp_ligand.pt
2a5c,NC1N=CN=C2C=1NC(=O)N2C1CC(O)C(CO)O1,4.62,2a5c_protein.pt,2a5c_pocket.pt,2a5c_ligand.pt
4ymb,CCCC1C[NH2+]C(C(=O)[O-])C1C1C=C(C=CC=1)C(=O)[O-],6.21,4ymb_protein.pt,4ymb_pocket.pt,4ymb_ligand.pt
5ei3,[NH2+]=C1NC(=O)C2=C(N1)N(C=[N+]2CC1C=CC=CC=1)C1OC(CNS(=O)(=O)C(F)(F)F)C(O)C1O,4.25,5ei3_protein.pt,5ei3_pocket.pt,5ei3_ligand.pt
3x00,N=[C+]1NC2CSC(CCCCC(=O)NCCCCCC=O)C2N1,9.08,3x00_protein.pt,3x00_pocket.pt,3x00_ligand.pt
1sh9,CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(=O)NC(CC1C=CC=CC=1)CC(O)C(CC1C=CC=CC=1)NC(=O)OCC1=CN=CS1)C(C)C,6.03,1sh9_protein.pt,1sh9_pocket.pt,1sh9_ligand.pt
4pee,CC1[NH2+]C(C2=CN(N=N2)C2C=CC=CC=2)C(O)C1O,8.32,4pee_protein.pt,4pee_pocket.pt,4pee_ligand.pt
5t9w,CC(C)C1NC(=O)CCCCC=CC=CCCOC(=O)C2CCCN([NH2+]2)C(=O)C(CC2C=C(O)C=CC=2)NC1=O,5.59,5t9w_protein.pt,5t9w_pocket.pt,5t9w_ligand.pt
1zp8,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)N1C=C(COC(=O)NC2C3C=CC=CC=3CC2O)N=N1,8.77,1zp8_protein.pt,1zp8_pocket.pt,1zp8_ligand.pt
3t70,C[NH+](CC1OC(CC1O)N1C=CC(=O)NC1=O)C(C1C=CC=CC=1)C1C=CC=CC=1,6.3,3t70_protein.pt,3t70_pocket.pt,3t70_ligand.pt
2cbj,CC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,8.27,2cbj_protein.pt,2cbj_pocket.pt,2cbj_ligand.pt
3fas,[NH3+]C(CCC(=O)[O-])C(=O)[O-],6.77,3fas_protein.pt,3fas_pocket.pt,3fas_ligand.pt
1ado,O=C(CO)COP(=O)(=O)=O,6.0,1ado_protein.pt,1ado_pocket.pt,1ado_ligand.pt
1ai7,OC1C=CC=CC=1,4.09,1ai7_protein.pt,1ai7_pocket.pt,1ai7_ligand.pt
6upj,CCC(C1C=CC=CC=1)C1C(=O)OC2CCCCCC=2C=1O,6.32,6upj_protein.pt,6upj_pocket.pt,6upj_ligand.pt
1jn4,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OC2CC(OC2CO)N2C=CC(=O)NC2=O)C(O)C1O,4.95,1jn4_protein.pt,1jn4_pocket.pt,1jn4_ligand.pt
4g4p,NC(=O)CCC([NH3+])C(=O)[O-],6.89,4g4p_protein.pt,4g4p_pocket.pt,4g4p_ligand.pt
3lk8,COC1C=CC(=CC=1)S(=O)(=O)NCC(=O)NO,7.71,3lk8_protein.pt,3lk8_pocket.pt,3lk8_ligand.pt
3lea,COC1C=CC2CN(CC3(NC(=O)NC3=O)C3C=CC(=CC=3)C3C=NC=CC=3)C(=O)C=2C=1,9.1,3lea_protein.pt,3lea_pocket.pt,3lea_ligand.pt
4bj8,O=C([O-])CCCCC1SCC2NC(=O)NC21,8.29,4bj8_protein.pt,4bj8_pocket.pt,4bj8_ligand.pt
5tb6,CCC(=O)N1CCC2=NNC(C3C=CC=CC=3)=C2C1,5.82,5tb6_protein.pt,5tb6_pocket.pt,5tb6_ligand.pt
3el5,CC1C(=CC=CC=1O)C(=O)NC(CSC1C=CC=CC=1)C(O)C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C,7.72,3el5_protein.pt,3el5_pocket.pt,3el5_ligand.pt
5lsg,C=C(C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12)C(=O)[O-],5.4,5lsg_protein.pt,5lsg_pocket.pt,5lsg_ligand.pt
6cdl,CC(C)CN(CC(O)C(CC1C=C(F)C=C(F)C=1)NC(=O)OC1CC2COC3OC=CC1C23)S(=O)(=O)C1C=CC2N=C(NC3CC3)SC=2C=1,10.92,6cdl_protein.pt,6cdl_pocket.pt,6cdl_ligand.pt
5wgp,CC1=CC(=O)NS(=O)(=O)O1,5.62,5wgp_protein.pt,5wgp_pocket.pt,5wgp_ligand.pt
4q8y,ON1C=CC2C=CC=CC=2C1S,2.64,4q8y_protein.pt,4q8y_pocket.pt,4q8y_ligand.pt
2f81,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,10.52,2f81_protein.pt,2f81_pocket.pt,2f81_ligand.pt
2q1q,NS(=O)(=O)C1C=CC(=CC=1)N1CCCCS1(=O)=O,8.15,2q1q_protein.pt,2q1q_pocket.pt,2q1q_ligand.pt
4io7,[NH3+]C(CC1C=CC=CC=1)C(=O)[O-],3.68,4io7_protein.pt,4io7_pocket.pt,4io7_ligand.pt
4nl1,C[NH2+]CC1C=CC(=CC=1)C(F)(F)F,3.89,4nl1_protein.pt,4nl1_pocket.pt,4nl1_ligand.pt
5fbi,NC(=O)C1=CC2=CC(=CC=C2N1)OCC1=CC=CC(=C1)C(=O)[O-],2.8,5fbi_protein.pt,5fbi_pocket.pt,5fbi_ligand.pt
3sut,CC(=O)NC1C([NH2+]OC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,7.85,3sut_protein.pt,3sut_pocket.pt,3sut_ligand.pt
2ves,O=C(NO)C(CC1=CC=C2C=CC=CC2=C1)NS(=O)(=O)C1C=C2C=CC=CC2=CC=1,7.7,2ves_protein.pt,2ves_pocket.pt,2ves_ligand.pt
3hl7,O=C(CO)N1CCC(CC1)C1NN=C(C2C=CC(Cl)=CC=2)C=1C1=CC=NC=N1,7.64,3hl7_protein.pt,3hl7_pocket.pt,3hl7_ligand.pt
5nwe,CCC(CC)OC1C=C(CC([NH3+])C1NC(C)=O)C(=O)[O-],4.88,5nwe_protein.pt,5nwe_pocket.pt,5nwe_ligand.pt
4m0r,O=C([O-])C1=CC=CC=C1NC1=CC=CC(NC2=CC=CC=C2C(=O)[O-])=C1C(=O)[O-],5.21,4m0r_protein.pt,4m0r_pocket.pt,4m0r_ligand.pt
4djq,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OCCN1CCNC1=O)S(=O)(=O)C1C=CC(=CC=1)OC,10.32,4djq_protein.pt,4djq_pocket.pt,4djq_ligand.pt
5fns,CN1N=NC2=CC(=CC=C21)C(CC(=O)[O-])C1C=C(CN(C)S(C)(=O)=O)C(Cl)=CC=1,5.4,5fns_protein.pt,5fns_pocket.pt,5fns_ligand.pt
1u1w,NC1C(=CC=CC=1O)C(=O)[O-],5.85,1u1w_protein.pt,1u1w_pocket.pt,1u1w_ligand.pt
5wlo,COC1C=CC2=C(C=1)COCC=CCCCCN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC3OCCC13)S2(=O)=O,10.82,5wlo_protein.pt,5wlo_pocket.pt,5wlo_ligand.pt
3p5o,CCNC(=O)CC1N=C(C2C=CC(Cl)=CC=2)C2C=C(C=CC=2N2C(C)=NN=C12)OC,7.26,3p5o_protein.pt,3p5o_pocket.pt,3p5o_ligand.pt
2vk2,OC=C(O)C1OC(O)C(O)=C1O,6.89,2vk2_protein.pt,2vk2_pocket.pt,2vk2_ligand.pt
5lli,CC1N=CSC=1C1C=CC(=CC=1)CNC(=O)C1CC(O)CN1C(=O)C(NC(=O)C1(C#N)CC1)C(C)(C)C,7.05,5lli_protein.pt,5lli_pocket.pt,5lli_ligand.pt
5d26,CCC1=C(NC(C)=C1C(N)=O)C(=O)NC1C=C(C=CC=1O)S(=O)(=O)N(CC)CC,6.09,5d26_protein.pt,5d26_pocket.pt,5d26_ligand.pt
5j82,CC(C)N(C)S(=O)(=O)C1=CC(C2=NNC(=O)N2C2C=CC=CC=2F)=C(O)C=C1O,6.0,5j82_protein.pt,5j82_pocket.pt,5j82_ligand.pt
3nuo,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,9.8,3nuo_protein.pt,3nuo_pocket.pt,3nuo_ligand.pt
4djv,COC1C=CC=C(C=1)C1C=CC=C(C=1)C1(N[C+](=N)N(C)C1=O)C1C=CC=CC=1,6.72,4djv_protein.pt,4djv_pocket.pt,4djv_ligand.pt
5mod,CC(C)OC1=CC=C(C=C1Cl)C[NH3+],3.52,5mod_protein.pt,5mod_pocket.pt,5mod_ligand.pt
5dqc,CC(C)CNC(=O)C([NH2+]CC(O)C(CC1C=CC=CC=1)NC(=O)C1=CC(=CC(=C1)N(C)S(C)(=O)=O)C(=O)NC(C)C1C=CC=CC=1)C(C)O,7.34,5dqc_protein.pt,5dqc_pocket.pt,5dqc_ligand.pt
1h23,O=C1C=CC2=C(CCCC2[NH2+]CCCCCCCCCCCC[NH2+]C2CCCC3NC(=O)C=CC=32)N1,8.35,1h23_protein.pt,1h23_pocket.pt,1h23_ligand.pt
3v51,CC(C)N1N=C(C2C=CC3C=C(C=CC=3C=2)OCC2C=CC=C(Cl)C=2)C2C1=NC=NC=2N,8.55,3v51_protein.pt,3v51_pocket.pt,3v51_ligand.pt
3b67,CC(O)(COC1C(F)=C(F)C(F)=C(F)C=1F)C(=O)NC1=CC=C(C(=C1)C(F)(F)F)[N+](=O)[O-],8.85,3b67_protein.pt,3b67_pocket.pt,3b67_ligand.pt
2qbr,O=C([O-])COC1C(Br)=C(SC=1C(=O)[O-])C1C=CC=C(C=1)NCC1C=CC=CC=1,6.33,2qbr_protein.pt,2qbr_pocket.pt,2qbr_ligand.pt
2cf9,COC1C=CC(=CC=1)CN1C(=O)C2C(C1C(C)C)C1CCC[NH+]1C2C1C=CC(=CC=1)[C+](=N)=N,7.82,2cf9_protein.pt,2cf9_pocket.pt,2cf9_ligand.pt
2vw5,COC1CC(C)CC2=CC(O)=CC(=C2)NC(=O)C(C)=CCCC(C)C(OC(N)=O)C(C)=CC(C)C1O,8.52,2vw5_protein.pt,2vw5_pocket.pt,2vw5_ligand.pt
4m0e,CC1=CC=CC2=C1C=CC1C3OCC(C)C=3C(=O)C(=O)C=12,6.22,4m0e_protein.pt,4m0e_pocket.pt,4m0e_ligand.pt
2uwp,CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)CCC2=CC=C(Cl)S2)C1=O,6.81,2uwp_protein.pt,2uwp_pocket.pt,2uwp_ligand.pt
2q7q,[NH3+]CC1C=CC(Cl)=CC=1,5.3,2q7q_protein.pt,2q7q_pocket.pt,2q7q_ligand.pt
3mxd,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)C1CN(C(=O)O1)C1C=CC=CC=1O)S(=O)(=O)C1C=C2OCOC2=CC=1,8.83,3mxd_protein.pt,3mxd_pocket.pt,3mxd_ligand.pt
3i9g,CCCCCCCCCCCCCC=CC(O)C([NH3+])COP(=O)(=O)=O,8.96,3i9g_protein.pt,3i9g_pocket.pt,3i9g_ligand.pt
3m3z,CNC1=NC2C(=NC=NC=2N)N1C1OC(COCC(N)=O)C(O)C1O,5.73,3m3z_protein.pt,3m3z_pocket.pt,3m3z_ligand.pt
1h6h,CCCC(=O)OCC(CO[P](=O)(=O)OC1C(O)C(O)C(O)C(OP(=O)(=O)=O)C1O)OC(=O)CCC,5.3,1h6h_protein.pt,1h6h_pocket.pt,1h6h_ligand.pt
6cwn,COC1OC2COC(C)(OC2C(O)C1NC(C)=O)C(=O)[O-],6.65,6cwn_protein.pt,6cwn_pocket.pt,6cwn_ligand.pt
4gbd,CSCC1OC(C(O)C1O)N1C=NC2=C1N=CNCC2O,11.32,4gbd_protein.pt,4gbd_pocket.pt,4gbd_ligand.pt
1qf0,O=C(NC(CC1C=CC=CC=1)C(=O)NC(CC1C=CC(O)=CC=1)C(=O)[O-])C(S)CC1C=CC=CC=1,7.38,1qf0_protein.pt,1qf0_pocket.pt,1qf0_ligand.pt
6epa,O=C(CC(C1C=CC=CC=1)C1C=CC=CC=1)NC1=NC2C=CC=CC=2S1,5.95,6epa_protein.pt,6epa_pocket.pt,6epa_ligand.pt
1e4h,OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br,8.41,1e4h_protein.pt,1e4h_pocket.pt,1e4h_ligand.pt
4b76,[NH3+]CC1C=CC(F)=C(OC2C=CC=CC=2)C=1F,4.54,4b76_protein.pt,4b76_pocket.pt,4b76_ligand.pt
6f9u,CC(=O)NC(CC(=O)[O-])C(=O)NCC(CC1(CCCC1)C(=O)NC(CC1C=CC(O)=CC=1)C(=O)[O-])C(=O)[O-],5.13,6f9u_protein.pt,6f9u_pocket.pt,6f9u_ligand.pt
1x8j,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,6.96,1x8j_protein.pt,1x8j_pocket.pt,1x8j_ligand.pt
2wyg,CC(C1C=CC(=C(F)C=1)N1CCC(NS(=O)(=O)C=CC2=CC=C(Cl)S2)C1=O)[NH+](C)C,8.7,2wyg_protein.pt,2wyg_pocket.pt,2wyg_ligand.pt
6e9a,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CC2NC(=O)OC2C1,11.92,6e9a_protein.pt,6e9a_pocket.pt,6e9a_ligand.pt
4ap7,OC1C=CC(=CC=1)CC1=NN=C2N=CC(=NN12)C1C=CC(F)=CC=1,7.96,4ap7_protein.pt,4ap7_pocket.pt,4ap7_ligand.pt
4itp,NS(=O)(=O)C1C=CC(=CC=1)CNC(=O)CC1C=CC=CC=1,7.27,4itp_protein.pt,4itp_pocket.pt,4itp_ligand.pt
1f8b,CC(=O)NC1C(O)C=C(OC1C(O)C(O)CO)C(=O)[O-],5.4,1f8b_protein.pt,1f8b_pocket.pt,1f8b_ligand.pt
6bm6,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,4.68,6bm6_protein.pt,6bm6_pocket.pt,6bm6_ligand.pt
5dqf,O=C([O-])COCC[NH+]1CC[NH+](CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,3.6,5dqf_protein.pt,5dqf_pocket.pt,5dqf_ligand.pt
4dzy,O=C([O-])C(Cl)CC1C=CC=CC=1,5.62,4dzy_protein.pt,4dzy_pocket.pt,4dzy_ligand.pt
4r4o,O=C([O-])C1=CC=C(O1)C1C=CC(=CC=1)CNC(=S)C1C=CC(=CC=1)C1=CC(=NN1C1C=CC(Cl)=C(Cl)C=1)C(=O)[O-],5.82,4r4o_protein.pt,4r4o_pocket.pt,4r4o_ligand.pt
3r4p,CC(F)(F)CNC(=O)N1C=C2N=C(N)N=C(C2=C1)C1C(=CC(Cl)=CC=1Cl)OCCN1C=CC=N1,7.96,3r4p_protein.pt,3r4p_pocket.pt,3r4p_ligand.pt
3w37,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1[NH2+]C1C=C(CO)C(O)C(O)C1O,5.18,3w37_protein.pt,3w37_pocket.pt,3w37_ligand.pt
1f5l,NC(=[NH2+])NC(=O)C1N=C(Cl)C(N)=NC=1N,5.28,1f5l_protein.pt,1f5l_pocket.pt,1f5l_ligand.pt
5h8e,CC(=O)NC1=CC(=CC=C1N(C)CC[NH3+])NC1C=C(NC2C=C2)N2N=CC(C#N)=C2N=1,11.2,5h8e_protein.pt,5h8e_pocket.pt,5h8e_ligand.pt
2jh0,CC(=CS(=O)(=O)NC1CCN(C1=O)C(C)C(=O)N1CCOCC1)C1=CC=C(Cl)S1,8.7,2jh0_protein.pt,2jh0_pocket.pt,2jh0_ligand.pt
4yho,CN1C2=CC=C(C=C2N=C1CNC1C=CC(=CC=1)C(N)=[NH2+])C(=O)N(CCC(=O)[O-])C1=CC=CC=N1,10.74,4yho_protein.pt,4yho_pocket.pt,4yho_ligand.pt
3zsq,C=CC[NH+](CC1=CC=CC=C1C(=O)NC(CCC)C1C=CC(=CC=1)OC)CC1C=CC2OCOC=2C=1C(=O)[O-],4.96,3zsq_protein.pt,3zsq_pocket.pt,3zsq_ligand.pt
3e3c,CCCCCC(=O)OCC(O)COP(=O)(=O)=O,5.62,3e3c_protein.pt,3e3c_pocket.pt,3e3c_ligand.pt
4azc,CC1[NH2+]C2C(OC(CO)C(O)C2O)S1,5.86,4azc_protein.pt,4azc_pocket.pt,4azc_ligand.pt
5xg5,CC(=O)NC1C(O)OC(CO)C(O)C1O,3.48,5xg5_protein.pt,5xg5_pocket.pt,5xg5_ligand.pt
4gu6,CN(C1=NC=CC=C1CNC1=C(C#N)C=NC2NC(=CC=21)C1C=CC=CC=1)S(C)(=O)=O,7.36,4gu6_protein.pt,4gu6_pocket.pt,4gu6_ligand.pt
4loi,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC2CO[P](=O)(=O)OC3C(O)C(CO[P](=O)(=O)OC1C2O)OC3N1C=NC2C(N)=NC=NC=21,6.77,4loi_protein.pt,4loi_pocket.pt,4loi_ligand.pt
5d1r,CCCCCCCCCCCC(=O)OC(C)C,4.84,5d1r_protein.pt,5d1r_pocket.pt,5d1r_ligand.pt
5ftg,CN(C)C1C=CN(CC=1)CC1C=CC(=CC=1)OCCOC1C=CC(=CC=1)CN1C=CC(C=C1)=[N+](C)C,6.15,5ftg_protein.pt,5ftg_pocket.pt,5ftg_ligand.pt
3n3g,C[NH+]1CC[NH+](CCCOC2C=CC(=CC=2C(F)(F)F)C2C=CC=C(C#N)N=2)CC1,7.24,3n3g_protein.pt,3n3g_pocket.pt,3n3g_ligand.pt
4q1x,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,11.15,4q1x_protein.pt,4q1x_pocket.pt,4q1x_ligand.pt
3d2e,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.42,3d2e_protein.pt,3d2e_pocket.pt,3d2e_ligand.pt
4y0a,O=C([O-])C1CC(O)C(O)C(O)C1,2.31,4y0a_protein.pt,4y0a_pocket.pt,4y0a_ligand.pt
1ydt,O=S(=O)(NCC[NH2+]CC=CC1C=CC(Br)=CC=1)C1=CC=CC2C=NC=CC=21,7.32,1ydt_protein.pt,1ydt_pocket.pt,1ydt_ligand.pt
2jke,OCC1[NH2+]CC(O)C(O)C1O,4.23,2jke_protein.pt,2jke_pocket.pt,2jke_ligand.pt
4nbn,OC1=CC=CC=C1CNC1=CC(=NC=N1)NCC1=CC=CC=C1O,4.36,4nbn_protein.pt,4nbn_pocket.pt,4nbn_ligand.pt
1tng,[NH3+]CC1CCCCC1,2.93,1tng_protein.pt,1tng_pocket.pt,1tng_ligand.pt
5ulp,NC1=NC=NC2=C1N=CN2C1OC(C[NH+](CCC([NH3+])C(=O)[O-])CC2C=CC(F)=CC=2)C(O)C1O,4.61,5ulp_protein.pt,5ulp_pocket.pt,5ulp_ligand.pt
2cgf,O=C1CCCCC=CCCOC(=O)C2C(O)=CC(O)=C(Cl)C=2C1,6.41,2cgf_protein.pt,2cgf_pocket.pt,2cgf_ligand.pt
3r88,COC1C=C(N)C(=CC=1OC)C(=O)[O-],4.82,3r88_protein.pt,3r88_pocket.pt,3r88_ligand.pt
4cst,N#CC1C=CC(=CC=1)C1C=C(Cl)C(=CC=1)OC1OC(CO)C(O)C(O)C1O,8.89,4cst_protein.pt,4cst_pocket.pt,4cst_ligand.pt
4g90,O=C1NC(O)=C(F)CN1CC1=CN(N=N1)C1OC(CO)C(O)C1O,4.51,4g90_protein.pt,4g90_pocket.pt,4g90_ligand.pt
3d91,CC(C)(C)S(=O)(=O)CC(CC1C=CC=CC=1)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC1CCCCC1)C(O)C(O)C1CC1,9.15,3d91_protein.pt,3d91_pocket.pt,3d91_ligand.pt
6iiu,O=C([O-])CCN1C2C=CC=CC=2C2CC(CCC=21)NS(=O)(=O)C1C=CC(F)=CC=1,7.96,6iiu_protein.pt,6iiu_pocket.pt,6iiu_ligand.pt
2xei,O=C([O-])CCC(NC(=O)NC(CCCCN1C=C(COCCOCCNC2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N=N1)C(=O)[O-])C(=O)[O-],10.62,2xei_protein.pt,2xei_pocket.pt,2xei_ligand.pt
1nt1,O=C1COC2=CC=C(Cl)C=C2CNC(=O)C2CCCN2C(=O)C(NC(=O)CCN1)C1CCCCC1,8.89,1nt1_protein.pt,1nt1_pocket.pt,1nt1_ligand.pt
5j8m,O=C1NN=C(C2C=C(Br)C(O)=CC=2O)N1C1C=CC=CC=1F,6.8,5j8m_protein.pt,5j8m_pocket.pt,5j8m_ligand.pt
1szd,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(O)C(O)C2O)C(O)C1O,4.54,1szd_protein.pt,1szd_pocket.pt,1szd_ligand.pt
3q7q,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)NP(=O)(=O)=O)C(O)C1O,5.65,3q7q_protein.pt,3q7q_pocket.pt,3q7q_ligand.pt
4loy,C[NH+]1CCN(CC1)C(=O)C(CNC(=O)C1=CC=C(Cl)S1)NS(=O)(=O)C1C=C(F)C=C(C=1Cl)N1CCCCC1=O,8.09,4loy_protein.pt,4loy_pocket.pt,4loy_ligand.pt
2bvs,NC(=[NH2+])NC1C=CC(=CC=1)CC(NC(=O)CSC1C=CC(Cl)=CC=1)C(=O)NCCOCCOCC(N)=O,4.1,2bvs_protein.pt,2bvs_pocket.pt,2bvs_ligand.pt
4xtx,[N-]=[N+]=NC1C(O)C(COS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)OC1N1C=NC2C(N)=NC=NC=21,10.57,4xtx_protein.pt,4xtx_pocket.pt,4xtx_ligand.pt
3u6i,COC1C=CC2C(C=1)=NC=CC=2OC1=CC=C(C=C1F)NC(=O)C1C(=O)N(C2C=CC=CC=2)N(CC(C)O)C=1C,9.0,3u6i_protein.pt,3u6i_pocket.pt,3u6i_ligand.pt
5odx,COC1CCCN(C1)C(=O)C1=NNC2=CC(O)=C(C=C21)C(=O)N(C)C1C=CC(=CC=1)N1CCOCC1,6.71,5odx_protein.pt,5odx_pocket.pt,5odx_ligand.pt
4cpz,CC(=O)NC1C(CC(OC1C(O)C(O)CO)C(=O)[O-])NC(N)=[NH2+],7.68,4cpz_protein.pt,4cpz_pocket.pt,4cpz_ligand.pt
6hsh,CN1C=C(C[NH2+]CC2CCN(CC2)C2N=CC(=CN=2)C(=O)NO)C2C=CC=CC=21,7.55,6hsh_protein.pt,6hsh_pocket.pt,6hsh_ligand.pt
3bgq,FC(F)(F)C1C=CC=C(C=1)C1=NN=C2C=CC(=NN21)NC1CCCCC1,7.96,3bgq_protein.pt,3bgq_pocket.pt,3bgq_ligand.pt
1hvr,O=C1N(CC2=CC=C3C=CC=CC3=C2)C(CC2C=CC=CC=2)C(O)C(O)C(CC2C=CC=CC=2)N1CC1C=CC2=CC=CC=C2C=1,9.51,1hvr_protein.pt,1hvr_pocket.pt,1hvr_ligand.pt
4g8n,[NH3+]C(C(=O)[O-])C1CCC1C(=O)[O-],7.2,4g8n_protein.pt,4g8n_pocket.pt,4g8n_ligand.pt
5y12,COC1C=CC(=C2C=CC=CC=12)S(=O)(=O)NCCCCC(=O)[O-],6.23,5y12_protein.pt,5y12_pocket.pt,5y12_ligand.pt
1pr5,NC1=NC=NC2=C1C=CN2C1OC(CO)C(O)C1O,3.92,1pr5_protein.pt,1pr5_pocket.pt,1pr5_ligand.pt
2jf4,OCC1=CC([NH2+]C2CC(CO)C(O)C(O)C2O)C(O)C(O)C1O,8.15,2jf4_protein.pt,2jf4_pocket.pt,2jf4_ligand.pt
3agl,CC(NC(=O)CCCCCNC(=O)C1OC(C(O)C1O)N1C=NC2C1=NC=NC=2N)C(=O)NCCCCCC(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(CCCNC(N)=[NH2+])C(N)=O,7.8,3agl_protein.pt,3agl_pocket.pt,3agl_ligand.pt
5gj9,O=C([O-])C1=CN=CC=N1,4.99,5gj9_protein.pt,5gj9_pocket.pt,5gj9_ligand.pt
2cli,O=P(=O)(=O)OCCNS(=O)(=O)C1C=CC(=CC=1)OC(F)(F)F,4.3,2cli_protein.pt,2cli_pocket.pt,2cli_ligand.pt
4b3d,CC1=CC=C2NC=CC2=C1,2.68,4b3d_protein.pt,4b3d_pocket.pt,4b3d_ligand.pt
4axd,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)NP(=O)(=O)=O)C(O)C1O,4.43,4axd_protein.pt,4axd_pocket.pt,4axd_ligand.pt
6dj2,CC1=CC=CC(C)=C1OCC(=O)NC(CC1C=CC=CC=1)C(O)CC(CC1C=CC=CC=1)NC(=O)C(C(C)C)N1CCCNC1=O,8.12,6dj2_protein.pt,6dj2_pocket.pt,6dj2_ligand.pt
2pwc,NC1C=CC(=CC=1)S(=O)(=O)N(CC1C=CC=CC=1)C1C[NH2+]CC1N(CC1C=CC=CC=1)S(=O)(=O)C1C=CC(N)=CC=1,6.57,2pwc_protein.pt,2pwc_pocket.pt,2pwc_ligand.pt
5l7h,CC1=NOC2COC3C=C(C=CC=3)CCCS(=O)(=O)NCC3C=CC(=CC=3)C=21,7.3,5l7h_protein.pt,5l7h_pocket.pt,5l7h_ligand.pt
1ii5,[NH3+]C(CCC(=O)[O-])C(=O)[O-],6.62,1ii5_protein.pt,1ii5_pocket.pt,1ii5_ligand.pt
5kr0,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,9.15,5kr0_protein.pt,5kr0_pocket.pt,5kr0_ligand.pt
3kmc,O=C(NCCC1=CC=CS1)C(O)C(O)C(=O)N1CC[NH2+]CC1,6.4,3kmc_protein.pt,3kmc_pocket.pt,3kmc_ligand.pt
3c2f,O=[P](=O)(OC1OC(COP(=O)(=O)=O)C(O)C1O)OP(=O)(=O)=O,2.0,3c2f_protein.pt,3c2f_pocket.pt,3c2f_ligand.pt
1bgq,CC1CC2OC2C=CC=CC(=O)CC2C(Cl)=C(O)C=C(O)C=2C(=O)O1,8.57,1bgq_protein.pt,1bgq_pocket.pt,1bgq_ligand.pt
3sm2,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,9.7,3sm2_protein.pt,3sm2_pocket.pt,3sm2_ligand.pt
4qij,CC(C)(CO[P](=O)(=O)O[P](=O)(=O)OCC1OC(C(O)C1OP(=O)(=O)=O)N1C=NC2C(N)=NC=NC=21)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=C2C=CC=CC2=C1O,5.54,4qij_protein.pt,4qij_pocket.pt,4qij_ligand.pt
2cf8,CC(C)C1C2C(C(=O)N1CC1C=CC(Cl)=CC=1)C(C1C=CC(=CC=1)[C+](=N)=N)[NH+]1CCCC21,8.1,2cf8_protein.pt,2cf8_pocket.pt,2cf8_ligand.pt
6exi,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,5.05,6exi_protein.pt,6exi_pocket.pt,6exi_ligand.pt
5th4,ON1CC=CCC1=S,2.85,5th4_protein.pt,5th4_pocket.pt,5th4_ligand.pt
3ocz,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)S)C(O)C1O,7.46,3ocz_protein.pt,3ocz_pocket.pt,3ocz_ligand.pt
6dak,O=C(NCC1=CC=CC(=C1)C1=CN2C=CCC2=N1)C1C=CC=CC=1,5.14,6dak_protein.pt,6dak_pocket.pt,6dak_ligand.pt
4owv,NC1C=CC=CC=1C(=O)[O-],4.35,4owv_protein.pt,4owv_pocket.pt,4owv_ligand.pt
4y59,O=C1NC=CC2OC(=CC=21)C1=CC=CC(=C1)C(F)(F)F,5.24,4y59_protein.pt,4y59_pocket.pt,4y59_ligand.pt
4m8h,CC(=CC=CC(C)=CC(=O)[O-])C=C1CCC(C)C2C=CC=CC=21,7.6,4m8h_protein.pt,4m8h_pocket.pt,4m8h_ligand.pt
3rlp,COC1=CC(C2=CC(C)=NC(N)=N2)=C(Cl)C=C1Cl,7.08,3rlp_protein.pt,3rlp_pocket.pt,3rlp_ligand.pt
3gy7,N=[C+](=N)C1C=CC=CC=1,4.52,3gy7_protein.pt,3gy7_pocket.pt,3gy7_ligand.pt
3ekt,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,10.59,3ekt_protein.pt,3ekt_pocket.pt,3ekt_ligand.pt
2x7t,CCC1C=C2C(=CC=1OS(N)(=O)=O)CCC1C2CCC2(C)C(CCC12)OS(N)(=O)=O,6.63,2x7t_protein.pt,2x7t_pocket.pt,2x7t_ligand.pt
1cnx,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCCOCCOCC[NH3+],7.37,1cnx_protein.pt,1cnx_pocket.pt,1cnx_ligand.pt
2haw,O=P(=O)(=O)NP(=O)(=O)=O,4.92,2haw_protein.pt,2haw_pocket.pt,2haw_ligand.pt
6dh1,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,10.58,6dh1_protein.pt,6dh1_pocket.pt,6dh1_ligand.pt
3si4,C[N+]1=CC=CC=C1CNC(=O)C1CCCN1C(=O)C([NH3+])CC1C=CC=CC=1,3.88,3si4_protein.pt,3si4_pocket.pt,3si4_ligand.pt
4fl1,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)NP(=O)(=O)=O)C(O)C1O,3.28,4fl1_protein.pt,4fl1_pocket.pt,4fl1_ligand.pt
5qay,CN1C=CC=C1C1C=C(C=CC=1)C(=O)[O-],3.23,5qay_protein.pt,5qay_pocket.pt,5qay_ligand.pt
2pyy,[NH3+]C(CCC(=O)[O-])C(=O)[O-],4.6,2pyy_protein.pt,2pyy_pocket.pt,2pyy_ligand.pt
5u49,OC1=CC=C(C=CC2C=C(O)C=C(O)C=2)C(Cl)=C1,6.14,5u49_protein.pt,5u49_pocket.pt,5u49_ligand.pt
6eq1,OCC1OC(OCC2OC(OCC3OC(OC4(CO)OC(CO)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,4.61,6eq1_protein.pt,6eq1_pocket.pt,6eq1_ligand.pt
5cy9,CCCCS(=O)(=O)NC1=CC=C2C3C(=CC=CC=31)C(=O)N2CC,6.66,5cy9_protein.pt,5cy9_pocket.pt,5cy9_ligand.pt
1gi1,N=[C+](=N)C1C=C2N=C(NC2=CC=1)C1=CC=CC=C1O,5.47,1gi1_protein.pt,1gi1_pocket.pt,1gi1_ligand.pt
3zdg,CC(CCOC(=O)N(C)C)[NH+](C)C,7.1,3zdg_protein.pt,3zdg_pocket.pt,3zdg_ligand.pt
1qji,COC(=O)C1CCCN1C(=O)C(C)C[P](=O)(=O)C(CC1C=CC=CC=1)NC(=O)C(CCCC[NH3+])NC(=O)C1CCCN1C(=O)OCC1C=CC=CC=1,4.85,1qji_protein.pt,1qji_pocket.pt,1qji_ligand.pt
4u5s,CC(=O)NC(CCCC[NH3+])C(=O)NC(C[NH2+]C(C(=O)NC(CC1C=CC=CC=1)C(N)=O)C(C)O)COCC1C=NC=CC=1,2.41,4u5s_protein.pt,4u5s_pocket.pt,4u5s_ligand.pt
3slz,CC(NC(=O)OCC1C=CC=CC=1)C(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)C(C)NC(=O)OCC1C=CC=CC=1)C(C)C)C(C)C,6.99,3slz_protein.pt,3slz_pocket.pt,3slz_ligand.pt
4gih,O=C(NC1=CC=NC(=C1)NC(=O)C1CC1)C1C(Cl)=CC=CC=1Cl,8.32,4gih_protein.pt,4gih_pocket.pt,4gih_ligand.pt
1ype,CCC1C2C(C(=O)N1CC1=CC=C3OCOC3=C1)C(C1C=CC(=CC=1)[C+](=N)=N)[NH+]1CCCC21,8.1,1ype_protein.pt,1ype_pocket.pt,1ype_ligand.pt
4mo4,C[P](=O)(=O)O[P](=O)(=O)OCC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,4.22,4mo4_protein.pt,4mo4_pocket.pt,4mo4_ligand.pt
2fzg,O=C(CP(=O)(=O)=O)NC1=CC=CC(=C1)NC(=O)CP(=O)(=O)=O,3.38,2fzg_protein.pt,2fzg_pocket.pt,2fzg_ligand.pt
5n2t,CC(C)CC(N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1)C(=O)NCCC[NH3+],5.08,5n2t_protein.pt,5n2t_pocket.pt,5n2t_ligand.pt
3rv4,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,2.3,3rv4_protein.pt,3rv4_pocket.pt,3rv4_ligand.pt
1f73,CC(=O)NC(C(O)CC(O)C(=O)[O-])C(O)C(O)C(O)CO,2.39,1f73_protein.pt,1f73_pocket.pt,1f73_ligand.pt
6e4a,CN1C=C(C=CC1=O)C1C=CC2=NC(=NC(NCC3C=CC=C(Cl)C=3)=C2C=1)N1CC[NH+](CC1)CC[NH+](C)C,7.36,6e4a_protein.pt,6e4a_pocket.pt,6e4a_ligand.pt
5n0f,OCC1OC(SCC2C[NH2+]CC(O)C2O)C(O)C(O)C1O,6.05,5n0f_protein.pt,5n0f_pocket.pt,5n0f_ligand.pt
1xkk,CS(=O)(=O)CC[NH2+]CC1=CC=C(O1)C1=CC=C2N=CN=C(NC3=CC=C(OCC4C=C(F)C=CC=4)C(Cl)=C3)C2=C1,8.52,1xkk_protein.pt,1xkk_pocket.pt,1xkk_ligand.pt
3kgq,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-],2.3,3kgq_protein.pt,3kgq_pocket.pt,3kgq_ligand.pt
4kyh,O=C([O-])CC1=NN(CC2=NC3=CC(=CC=C3S2)C(F)(F)F)C(=O)C2C=CC=CC=21,5.92,4kyh_protein.pt,4kyh_pocket.pt,4kyh_ligand.pt
2f80,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,8.18,2f80_protein.pt,2f80_pocket.pt,2f80_ligand.pt
5dhu,[N-]=[N+]=NCC1OC(C(O)C1O)N1C(=NC2C1=NC=NC=2N)SCC(=O)NCCC1=CNC2=CC=CC=C12,6.3,5dhu_protein.pt,5dhu_pocket.pt,5dhu_ligand.pt
1dy4,OC(C[NH2+]C1CC1)COC1=CC=CC2=CC=CC=C21,4.36,1dy4_protein.pt,1dy4_pocket.pt,1dy4_ligand.pt
1c1v,N=[C+](=N)C1C=C2NC(CC3=NC4C=CC(=CC=4N3)[C+](=N)=N)=NC2=CC=1,7.64,1c1v_protein.pt,1c1v_pocket.pt,1c1v_ligand.pt
1h22,O=C1C=CC2=C(CCCC2[NH2+]CCCCCCCCCC[NH2+]C2CCCC3NC(=O)C=CC=32)N1,9.1,1h22_protein.pt,1h22_pocket.pt,1h22_ligand.pt
1ps3,O=C1NC2C(O)C(O)C(O)C(CO)N2C1=O,2.28,1ps3_protein.pt,1ps3_pocket.pt,1ps3_ligand.pt
3wvm,CCCCCCCCCCCCCCCCCC(=O)[O-],5.71,3wvm_protein.pt,3wvm_pocket.pt,3wvm_ligand.pt
3hb4,CC12CCC3C4C=CC(O)=CC=4CCC3C1CC(CC1C=CC=C(C=1)C(N)=O)C2O,9.05,3hb4_protein.pt,3hb4_pocket.pt,3hb4_ligand.pt
2amt,NC1=CC=CC=C1C(=O)OCCO[P](=O)(=O)O[P](=O)(=O)OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O,4.44,2amt_protein.pt,2amt_pocket.pt,2amt_ligand.pt
5u0f,COC1C=CC(CC2SC(=S)NC2=O)=C(C=1)OC,5.47,5u0f_protein.pt,5u0f_pocket.pt,5u0f_ligand.pt
1n46,CC1=CC(=CC(C)=C1OC1=CC=C(O)C(=C1)C(C)C)N1N=CC(=O)NC1=O,10.52,1n46_protein.pt,1n46_pocket.pt,1n46_ligand.pt
4aia,CN1C=NC(N)=C2N=CN=C21,3.66,4aia_protein.pt,4aia_pocket.pt,4aia_ligand.pt
3mhl,COC1N=CN=C(NCC2C=CC(=CC=2)S(N)(=O)=O)C=1[N+](=O)[O-],7.25,3mhl_protein.pt,3mhl_pocket.pt,3mhl_ligand.pt
5cxa,NC(=O)C(CCC(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)C(CC(=O)[O-])CC1=CC(=NO1)C1C=CC(=CC=1)C1C=CC=C(Cl)C=1,8.05,5cxa_protein.pt,5cxa_pocket.pt,5cxa_ligand.pt
3oe4,O=C(NCC=CC1OC(C(O)C1O)N1C=NC2C=NC=NC=21)C1C=C(C=C(O)C=1O)[N+](=O)[O-],7.47,3oe4_protein.pt,3oe4_pocket.pt,3oe4_ligand.pt
2zgx,CCC([NH3+])C(=O)N1CCCC1C(=O)NCC1C=CC(=CC=1)[C+](=N)=N,6.74,2zgx_protein.pt,2zgx_pocket.pt,2zgx_ligand.pt
4abf,[NH3+]CC1=CSC2C=CC(Br)=CC=21,4.62,4abf_protein.pt,4abf_pocket.pt,4abf_ligand.pt
6bbx,COC(=O)C(O)C(C)(O)C12OC13C1=CC(O)=C4C(=O)C5=CC=C(O)C(O)=C5C(=O)C4=C1NC2C#CC=CC#CC3O,6.67,6bbx_protein.pt,6bbx_pocket.pt,6bbx_ligand.pt
1xow,CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=CC21C,9.28,1xow_protein.pt,1xow_pocket.pt,1xow_ligand.pt
4bam,CN(C)C(=O)C[NH2+]C(C(=O)N1CCC1C(=O)NCC1C=CC(=CC=1)[C+](=N)=N)C1CCCCC1,8.94,4bam_protein.pt,4bam_pocket.pt,4bam_ligand.pt
5k1d,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(COP(=O)(=O)=O)C(O)C1O,4.68,5k1d_protein.pt,5k1d_pocket.pt,5k1d_ligand.pt
1lzq,CC(C)(C)OC(=O)NC(CC[NH2+]C(CC1C=CC=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)NC(CC1C=CC=CC=1)C(N)=O)CC1C=CC=CC=1,8.39,1lzq_protein.pt,1lzq_pocket.pt,1lzq_ligand.pt
3djk,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOCOC1,10.59,3djk_protein.pt,3djk_pocket.pt,3djk_ligand.pt
3c2u,OCC(CO)(CO)[NH2+]CCC[NH2+]C(CO)(CO)CO,2.9,3c2u_protein.pt,3c2u_pocket.pt,3c2u_ligand.pt
5u28,O=C1C=C(OC2C(=CSC=21)C1C=CC2OCCOC=2C=1)N1CCOCC1,7.17,5u28_protein.pt,5u28_pocket.pt,5u28_ligand.pt
6f9g,[NH3+]CCCC[NH3+],5.7,6f9g_protein.pt,6f9g_pocket.pt,6f9g_ligand.pt
3ryj,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC(F)(F)F,7.8,3ryj_protein.pt,3ryj_pocket.pt,3ryj_ligand.pt
4d3h,NC1=NC=NC2=C1N=CN2C1OC2CO[P](=O)(=O)OC3C(CO[P](=O)(=O)OC2C1O)OC(C3O)N1C=NC2C(N)=NC=NC=21,6.43,4d3h_protein.pt,4d3h_pocket.pt,4d3h_ligand.pt
1vyf,CCCCCCCCC=CCCCCCCCC(=O)[O-],8.05,1vyf_protein.pt,1vyf_pocket.pt,1vyf_ligand.pt
5ya5,COC1C=CC(=CC=1)CC1=NN=C2SC(=NN12)C1=CC2=CC=CC=C2N1,6.72,5ya5_protein.pt,5ya5_pocket.pt,5ya5_ligand.pt
5mks,COCCCC1OC(C(O)C1O)N1C(=NC2C1=NC=NC=2N)NCC1C=CC(Cl)=CC=1,4.77,5mks_protein.pt,5mks_pocket.pt,5mks_ligand.pt
4i7m,CCCC1C=CC=CC=1O,4.14,4i7m_protein.pt,4i7m_pocket.pt,4i7m_ligand.pt
3oil,CCC1=CC2=C(C=C1OS(N)(=O)=O)CCC1C2CCC2(C)C(O)CCC12,5.68,3oil_protein.pt,3oil_pocket.pt,3oil_ligand.pt
3mss,CNC(=O)C([NH3+])CC1C=CC(=CC=1)OCC1C=CC=CC=1,4.66,3mss_protein.pt,3mss_pocket.pt,3mss_ligand.pt
4e4l,CC1(CCN(CC1)S(C)(=O)=O)N1C=NC2C=NC3NC=CC=3C=21,8.77,4e4l_protein.pt,4e4l_pocket.pt,4e4l_ligand.pt
1o2r,CC1CCCCC1OC1C=CC=C(C2=NC3=CC(=C(F)C=C3N2)[C+](=N)=N)C=1O,5.21,1o2r_protein.pt,1o2r_pocket.pt,1o2r_ligand.pt
1qf1,CCCCCC(S)C(=O)NC(CC1C=CC=CC=1)C(=O)NC(C)C(=O)[O-],7.32,1qf1_protein.pt,1qf1_pocket.pt,1qf1_ligand.pt
2rd6,CC1(CCC[NH2+]1)C1=NC2C(=CC=CC=2C(N)=O)N1,8.3,2rd6_protein.pt,2rd6_pocket.pt,2rd6_ligand.pt
1dhj,CN(CC1C=NC2=NC(N)=NC(N)=C2N=1)C1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],6.55,1dhj_protein.pt,1dhj_pocket.pt,1dhj_ligand.pt
3jdw,[NH3+]CCCC([NH3+])C(=O)[O-],3.6,3jdw_protein.pt,3jdw_pocket.pt,3jdw_ligand.pt
3gy3,N=[C+](=N)C1C=CC(=CC=1)OCCCCCOC1C=CC(=CC=1)[C+](=N)=N,5.63,3gy3_protein.pt,3gy3_pocket.pt,3gy3_ligand.pt
2q64,CC1C(=CC=CC=1O)C(=O)NC(CSC1C=CC=CC=1)C(O)C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C,8.52,2q64_protein.pt,2q64_pocket.pt,2q64_ligand.pt
1mes,O=C1N(CC2C=CC(=CC=2)CO)C(CC2C=CC=CC=2)C(O)C(O)C(CC2C=CC=CC=2)N1CC1C=CC(=CC=1)CO,7.7,1mes_protein.pt,1mes_pocket.pt,1mes_ligand.pt
4cpt,COC(=O)NC(C(=O)N[NH+](CCCC1(O)CC2C=CC(=CC=2)CC=CCNC(=O)C(NC1=O)C(C)C)CC1C=CC(=CC=1)C1C=NC=CC=1)C(C)(C)C,7.7,4cpt_protein.pt,4cpt_pocket.pt,4cpt_ligand.pt
5d3n,CCC1=C(NC(C)=C1C(C)=O)C(=O)NC1C=C(C=CC=1C)S(=O)(=O)NC,5.04,5d3n_protein.pt,5d3n_pocket.pt,5d3n_ligand.pt
3ao5,CN1N=C(N)C=C1C1C=C(Br)C2OCOC=2C=1,2.23,3ao5_protein.pt,3ao5_pocket.pt,3ao5_ligand.pt
5eh7,ClC1C=CC(=CC=1Cl)OCC1=NN=NN1,3.48,5eh7_protein.pt,5eh7_pocket.pt,5eh7_ligand.pt
3n4b,NS(=O)(=O)C1C=CC(=CC=1)NC(=O)NC1C=CC(F)=CC=1,7.02,3n4b_protein.pt,3n4b_pocket.pt,3n4b_ligand.pt
6fba,OC1=CC2=CC=CC=C2C=C1O,4.7,6fba_protein.pt,6fba_pocket.pt,6fba_ligand.pt
4up5,COC1C=CC2N=C(N)SC=2C=1,2.6,4up5_protein.pt,4up5_pocket.pt,4up5_ligand.pt
4loh,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC2CO[P](=O)(=O)OC3C(CO[P](=O)(=O)OC1C2O)OC(C3O)N1C=NC2C1=NC=NC=2N,6.96,4loh_protein.pt,4loh_pocket.pt,4loh_ligand.pt
5k9w,O=C([O-])C(=O)NC1SC2C[NH2+]CCC=2C=1C(=O)[O-],4.59,5k9w_protein.pt,5k9w_pocket.pt,5k9w_ligand.pt
1g3d,CC(N=CC1=CC(=CC=C1O)C(N)=[NH2+])C(=O)[O-],5.55,1g3d_protein.pt,1g3d_pocket.pt,1g3d_ligand.pt
5d47,COC1=CN=CC=C1C1C2C=C(C=CC=2N(CCC(=O)[O-])C=1C1C=CC=CC=1)C1CC1,7.0,5d47_protein.pt,5d47_pocket.pt,5d47_ligand.pt
6e7j,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CC2OC(=O)N(C3C=CC=CC=3)C2C1,9.48,6e7j_protein.pt,6e7j_pocket.pt,6e7j_ligand.pt
5o1h,CCCSC1C=C(C(=O)[O-])C(O)=C(I)C=1N1C=CC=C1,4.85,5o1h_protein.pt,5o1h_pocket.pt,5o1h_ligand.pt
2bal,NC1=C(C=NN1C1C=CC(F)=CC=1)C(=O)C1C=C(C=CC=1)OC1CC[NH2+]CC1,6.31,2bal_protein.pt,2bal_pocket.pt,2bal_ligand.pt
3b3s,CC(C)CC([NH3+])C(=O)[O-],2.55,3b3s_protein.pt,3b3s_pocket.pt,3b3s_ligand.pt
3k00,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,5.77,3k00_protein.pt,3k00_pocket.pt,3k00_ligand.pt
3mxe,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)C1CN(C(=O)O1)C1C=CC=CC=1C(F)(F)F)S(=O)(=O)C1C=CC2N=CSC=2C=1,10.01,3mxe_protein.pt,3mxe_pocket.pt,3mxe_ligand.pt
1oif,OCC1C[NH2+]CC(O)C1O,7.72,1oif_protein.pt,1oif_pocket.pt,1oif_ligand.pt
4dst,CC1NC2C=C(Cl)C=C(Cl)C=2C=1CC[NH3+],2.96,4dst_protein.pt,4dst_pocket.pt,4dst_ligand.pt
3hmp,ClC1=CC=C2C(=C1)N=CN=C2NCC1CC1,5.49,3hmp_protein.pt,3hmp_pocket.pt,3hmp_ligand.pt
2vb8,C=CC(C)=CC1(C)SC(=O)C(C)=C1O,4.6,2vb8_protein.pt,2vb8_pocket.pt,2vb8_ligand.pt
5j6m,CN(CC1=CC=CO1)C(=O)C1=CC(C2=NNC(=O)N2C2=CC=CC=C2F)=C(O)C=C1O,8.57,5j6m_protein.pt,5j6m_pocket.pt,5j6m_ligand.pt
3aqt,OC1=CC=CC(O)=C1,6.72,3aqt_protein.pt,3aqt_pocket.pt,3aqt_ligand.pt
4ih5,C1=CC=C(C=C1)NNC1=NC=NC2=NNC=C21,4.11,4ih5_protein.pt,4ih5_pocket.pt,4ih5_ligand.pt
4eor,NS(=O)(=O)C1C=CC(=CC=1)NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1,6.3,4eor_protein.pt,4eor_pocket.pt,4eor_ligand.pt
5nk7,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)NC2CC[NH2+]CC2F)S1,6.33,5nk7_protein.pt,5nk7_pocket.pt,5nk7_ligand.pt
5yl2,COC1=CC=C(C=CC(=O)C2=CC=C(OC)C3C=CC(C)(C)OC=32)C=C1O,4.5,5yl2_protein.pt,5yl2_pocket.pt,5yl2_ligand.pt
3imc,COC1=CC=C2NC=CC2=C1,2.96,3imc_protein.pt,3imc_pocket.pt,3imc_ligand.pt
2i4d,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC(=CC=1)OCP(=O)(=O)=O)NC(=O)OC1COC2OCCC12,11.68,2i4d_protein.pt,2i4d_pocket.pt,2i4d_ligand.pt
4jzi,N=[C+](=N)C1C=CC(=CC=1)OC1=CC(=CC(=N1)OC1C=CC(=CC=1)[C+](=N)=N)C(=O)NC1CCC([NH3+])CC1,7.4,4jzi_protein.pt,4jzi_pocket.pt,4jzi_ligand.pt
4auj,OCC#CC1C=CC(=CC=1)OC1OC(CO)C(O)C(O)C1O,7.74,4auj_protein.pt,4auj_pocket.pt,4auj_ligand.pt
5otr,[NH3+]CC1=CC(Cl)=C(C(Cl)=C1)C1C=CC=CC=1,4.92,5otr_protein.pt,5otr_pocket.pt,5otr_ligand.pt
2qwc,CC(=O)NC1C(O)C=C(OC1C(O)C(O)CO)C(=O)[O-],3.55,2qwc_protein.pt,2qwc_pocket.pt,2qwc_ligand.pt
4r3w,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1OP(=O)(=O)=O,3.0,4r3w_protein.pt,4r3w_pocket.pt,4r3w_ligand.pt
2bvr,NC(=[NH2+])NC1C=CC(=CC=1)CC(NC(=O)CSC1C=CC(Cl)=CC=1)C(N)=O,3.7,2bvr_protein.pt,2bvr_pocket.pt,2bvr_ligand.pt
6d55,CC1=CC(=CC(C)=C1F)CN1C(=NC2C(=CC(Cl)=CC=21)N1CC[NH+](C)CC1)N1CC2(C[NH2+]C2)C1,7.36,6d55_protein.pt,6d55_pocket.pt,6d55_ligand.pt
3rwp,CC(C)N1C=C(C(=O)C2=CN=CC(=N2)NC2COCC2C2C=CC(F)=CC=2)C2C(N)=NC=NC=21,9.22,3rwp_protein.pt,3rwp_pocket.pt,3rwp_ligand.pt
4bf1,NS(=O)(=O)C1=CC=C(S1)C1=CN(N=N1)C1=CC=CC2C=CC=CC=21,8.62,4bf1_protein.pt,4bf1_pocket.pt,4bf1_ligand.pt
3f8c,CCOC1C=CC(=CC=1)C1=NC2C=C(C=CC=2N1)C1=NC2C=CC(=CC=2N1)N1CC[NH+](C)CC1,7.68,3f8c_protein.pt,3f8c_pocket.pt,3f8c_ligand.pt
3gbe,OCC1[NH2+]CC(O)C(O)C1O,5.0,3gbe_protein.pt,3gbe_pocket.pt,3gbe_ligand.pt
4gkm,CC1=CC=C(NC2=CC=CC=C2C(=O)[O-])C(=C1)C(=O)[O-],5.17,4gkm_protein.pt,4gkm_pocket.pt,4gkm_ligand.pt
5hvs,O=C([O-])C1C=CC=C(C=1)OC1=CC=CC2=NC(=CC=C12)C1=CN(N=N1)C1C=CC(O)=C(F)C=1,7.15,5hvs_protein.pt,5hvs_pocket.pt,5hvs_ligand.pt
2xn3,CC1=CC=CC(NC2=CC=CC=C2C(=O)[O-])=C1C,5.92,2xn3_protein.pt,2xn3_pocket.pt,2xn3_ligand.pt
5bs4,C[NH2+]C1COC2OCC(OC(=O)NC(CC3C=CC=CC=3)C(O)CN(CC(C)C)S(=O)(=O)C3C=CC(N)=CC=3)C12,11.0,5bs4_protein.pt,5bs4_pocket.pt,5bs4_ligand.pt
1a28,CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,8.29,1a28_protein.pt,1a28_pocket.pt,1a28_ligand.pt
6fgg,CN1CC(C=CC1=O)C(=O)NC1C=CC2OC(=O)N(CC[NH+](C)C)C=2C=1,4.77,6fgg_protein.pt,6fgg_pocket.pt,6fgg_ligand.pt
4pb2,O=C1NC(=O)N(C=C1F)C1OC(CO)C(O)C1O,4.8,4pb2_protein.pt,4pb2_pocket.pt,4pb2_ligand.pt
5n25,NS(=O)(=O)C1C=CC(=CC=1)C1C=CC=NC=1,7.78,5n25_protein.pt,5n25_pocket.pt,5n25_ligand.pt
3lpi,CCCN(CCC)C(=O)C1C=C(C=C(C)C=1)C(=O)NC(CC1C=C(F)C=C(F)C=1)C(O)C1CN(CC[NH2+]1)S(=O)(=O)C1C=CC=CC=1,8.52,3lpi_protein.pt,3lpi_pocket.pt,3lpi_ligand.pt
2bpv,CC1CCC(O)C1NC(=O)C(CC1C=CC=CC=1)CC(O)C[NH+]1CCN(CC1C(=O)NC(C)(C)C)C(=O)C=CC1C=NC=CC=1,7.67,2bpv_protein.pt,2bpv_pocket.pt,2bpv_ligand.pt
1u33,COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)NC(=NO)C(O)C3O)C(O)C2O)C(O)C1O,4.6,1u33_protein.pt,1u33_pocket.pt,1u33_ligand.pt
2gkl,O=C([O-])C1=CC=NC(=C1)C(=O)[O-],5.35,2gkl_protein.pt,2gkl_pocket.pt,2gkl_ligand.pt
3hk1,COC(=O)C1SC(=CC=1NC(=O)CCC(=O)[O-])C1=CC=CS1,6.17,3hk1_protein.pt,3hk1_pocket.pt,3hk1_ligand.pt
4gqp,C[NH2+]C(C)CC1C=CC=CC=1,9.6,4gqp_protein.pt,4gqp_pocket.pt,4gqp_ligand.pt
1o3d,N=[C+](=N)C1C=C2N=C(NC2=CC=1)C1=CC=CC(C2C=CC=CC=2)=C1O,7.13,1o3d_protein.pt,1o3d_pocket.pt,1o3d_ligand.pt
1d4j,O=C(NCC1C(Cl)=CC=CC=1F)C(OCC1C=CC=CC=1)C(O)C(O)C(OCC1C=CC=CC=1)C(=O)NC1C2=CC=CC=C2CC1O,8.36,1d4j_protein.pt,1d4j_pocket.pt,1d4j_ligand.pt
4iue,CC1=CC(=O)NC2C=C(C=CC=21)C1=CC=CC=C1F,6.55,4iue_protein.pt,4iue_pocket.pt,4iue_ligand.pt
5j27,CCCN(C)S(=O)(=O)C1=CC(C2=NNC(=O)N2C2C=CC=CC=2F)=C(O)C=C1O,6.74,5j27_protein.pt,5j27_pocket.pt,5j27_ligand.pt
2wky,[NH3+]C(CC1C=CCCC2ONC(=O)C=12)C(=O)[O-],8.59,2wky_protein.pt,2wky_pocket.pt,2wky_ligand.pt
5i2e,O=C(CCC1=CNC2C=CC=CC=21)NS(=O)(=O)OCC1OC(C(O)C1O)N1C=NC2C3=NC=CN3C=NC=21,6.64,5i2e_protein.pt,5i2e_pocket.pt,5i2e_ligand.pt
3ekw,COC(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C[NH+](CC1C=CC(=CC=1)C1=CC=CC=N1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C,7.96,3ekw_protein.pt,3ekw_pocket.pt,3ekw_ligand.pt
5a5q,CC1=CC2=CC=NC(NC3CC[NH2+]CC3)=C2NC1=O,4.68,5a5q_protein.pt,5a5q_pocket.pt,5a5q_ligand.pt
5iwg,NC1=CC=C(C=C1NC(=O)C1CCOCC1)C1C=CC(F)=CC=1,6.46,5iwg_protein.pt,5iwg_pocket.pt,5iwg_ligand.pt
5e28,NC1C=CC(=CC=1)C1C=CC(=CC=1)S(N)(=O)=O,7.91,5e28_protein.pt,5e28_pocket.pt,5e28_ligand.pt
5i88,CC=CCN1C=C(C2C=C(C=CC=2)C(=O)N(C)C)C2C=CNC=2C1=O,6.6,5i88_protein.pt,5i88_pocket.pt,5i88_ligand.pt
3l4u,OCC(O)C(O)C(O)C(O)C(O)C[S]1CC(O)C(O)C1CO,7.52,3l4u_protein.pt,3l4u_pocket.pt,3l4u_ligand.pt
1fkf,CC=CC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(C3)OC)C(C)C(O)CC1=O)C(C)CC2OC,9.4,1fkf_protein.pt,1fkf_pocket.pt,1fkf_ligand.pt
6c7w,NC1=NC=NC2=C1N=CN2C1OC(COS(N)(=O)=O)C(O)C1O,5.47,6c7w_protein.pt,6c7w_pocket.pt,6c7w_ligand.pt
3a9i,[NH3+]CCCCC([NH3+])C(=O)[O-],4.15,3a9i_protein.pt,3a9i_pocket.pt,3a9i_ligand.pt
6dh2,CCC(CC)CN(CC(O)C(CC1CCCCC1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,10.89,6dh2_protein.pt,6dh2_pocket.pt,6dh2_ligand.pt
5nbw,OC1=CC=C2C=CC3=C4C=CC=CC4=CC4C=CC1=C2C=43,8.59,5nbw_protein.pt,5nbw_pocket.pt,5nbw_ligand.pt
5u6j,CCC1C=C2C=CC=1CCOC(=O)NC1=CC=C(C(=C1)CN(C)C(=O)C2NC1C=CC=C(C=1)C(N)=O)S(=O)(=O)C(C)C,7.64,5u6j_protein.pt,5u6j_pocket.pt,5u6j_ligand.pt
2p7a,CC1=CC(O)=CC=C1Cl,6.1,2p7a_protein.pt,2p7a_pocket.pt,2p7a_ligand.pt
2jkp,OC1C[NH+]2CCC(O)C2C(O)C1O,4.23,2jkp_protein.pt,2jkp_pocket.pt,2jkp_ligand.pt
1wm1,CC(C)(C)C1=NN=C(O1)C(=O)C1CCC[NH2+]1,6.3,1wm1_protein.pt,1wm1_pocket.pt,1wm1_ligand.pt
1laf,NC(=[NH2+])NCCCC([NH3+])C(=O)[O-],7.85,1laf_protein.pt,1laf_pocket.pt,1laf_ligand.pt
2ctc,O=C([O-])C(O)CC1C=CC=CC=1,3.89,2ctc_protein.pt,2ctc_pocket.pt,2ctc_ligand.pt
1k6c,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC=NC=1,7.48,1k6c_protein.pt,1k6c_pocket.pt,1k6c_ligand.pt
4i3z,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.29,4i3z_protein.pt,4i3z_pocket.pt,4i3z_ligand.pt
3s43,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,8.6,3s43_protein.pt,3s43_pocket.pt,3s43_ligand.pt
2e9u,O=C1NC2=CC(Cl)=CC=C2OCCCCCOC2=CN=CC(=N2)N1,8.1,2e9u_protein.pt,2e9u_pocket.pt,2e9u_ligand.pt
4pp3,CC(=CC=CC(C)=CC(=O)[O-])C=C1CCCC2C=C(C)C=CC=21,7.82,4pp3_protein.pt,4pp3_pocket.pt,4pp3_ligand.pt
6fuj,CC(C)CC(=O)NC1=CC=CC(=C1)C1C=C(C=CC=1)C[NH3+],4.3,6fuj_protein.pt,6fuj_pocket.pt,6fuj_ligand.pt
3hcm,ClC1C=CC(=CC=1)C1=NOC(=N1)C1CCC[NH2+]C1,3.3,3hcm_protein.pt,3hcm_pocket.pt,3hcm_ligand.pt
1c1r,N=[C+](=N)C1C=CC2N=C(CC3=NC4=CC=CC=C4N3)NC=2C=1,7.63,1c1r_protein.pt,1c1r_pocket.pt,1c1r_ligand.pt
5khm,COC1=NN=C2C=CC(=NN21)N1CCC(CC1)C1C=CC(=CC=1)OCC[NH+]1CCN(C)C(=O)C1C,8.3,5khm_protein.pt,5khm_pocket.pt,5khm_ligand.pt
2rke,O=C([O-])CS(=O)(=O)[O-],4.08,2rke_protein.pt,2rke_pocket.pt,2rke_ligand.pt
1c83,O=C([O-])C(=O)NC1C=C2NC=CC2=CC=1C(=O)[O-],4.85,1c83_protein.pt,1c83_pocket.pt,1c83_ligand.pt
2ews,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)NP(=O)(=O)=O)C(O)C1O,6.62,2ews_protein.pt,2ews_pocket.pt,2ews_ligand.pt
1l8g,O=C([O-])C(=O)NC1SC2=C(CCOC2COC2=NS(=O)(=O)C3C=CC=CC=32)C=1C(=O)[O-],6.22,1l8g_protein.pt,1l8g_pocket.pt,1l8g_ligand.pt
3ekp,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,8.89,3ekp_protein.pt,3ekp_pocket.pt,3ekp_ligand.pt
3prs,CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(=O)NC(CC1C=CC=CC=1)CC(O)C(CC1C=CC=CC=1)NC(=O)OCC1=CN=CS1)C(C)C,7.82,3prs_protein.pt,3prs_pocket.pt,3prs_ligand.pt
1k1i,NC(=[NH2+])C1C=C(C=CC=1)CC(NS(=O)(=O)C1C=C2C=CC=CC2=CC=1)C(=O)N1CCCCC1C(=O)[O-],6.58,1k1i_protein.pt,1k1i_pocket.pt,1k1i_ligand.pt
2fqy,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,6.57,2fqy_protein.pt,2fqy_pocket.pt,2fqy_ligand.pt
1g45,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC1=CC=CC=C1F,8.64,1g45_protein.pt,1g45_pocket.pt,1g45_ligand.pt
4b6s,O=C1C(O)C(O)CC(O)(C(=O)[O-])C1CC1C(F)=C(F)C(F)=C(F)C=1F,6.01,4b6s_protein.pt,4b6s_pocket.pt,4b6s_ligand.pt
2x91,[NH3+]CCCCC([NH2+]C(CCC1C=CC=CC=1)C(=O)[O-])C(=O)N1CCCC1C(=O)[O-],6.74,2x91_protein.pt,2x91_pocket.pt,2x91_ligand.pt
4tun,CNC(=O)CC(C)O[P](=O)(=O)OC,5.41,4tun_protein.pt,4tun_pocket.pt,4tun_ligand.pt
2gh9,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,6.0,2gh9_protein.pt,2gh9_pocket.pt,2gh9_ligand.pt
4g5f,O=C([O-])C1COC2C=CC=CC=2O1,3.05,4g5f_protein.pt,4g5f_pocket.pt,4g5f_ligand.pt
4jne,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.86,4jne_protein.pt,4jne_pocket.pt,4jne_ligand.pt
5o07,CC1=NC=C(N1CCOS(N)(=O)=O)[N+](=O)[O-],7.47,5o07_protein.pt,5o07_pocket.pt,5o07_ligand.pt
1o0m,O=C1C=CN(C(=O)N1)C1OC(CO)C(O)C1OP(=O)(=O)=O,5.15,1o0m_protein.pt,1o0m_pocket.pt,1o0m_ligand.pt
2p3a,CC(NC(=O)OCC1C=CC=CC=1)C(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)C(C)NC(=O)OCC1C=CC=CC=1)C(C)C)C(C)C,7.96,2p3a_protein.pt,2p3a_pocket.pt,2p3a_ligand.pt
3rlq,COC1C=C(C(Cl)=CC=1Cl)C1N=C(C)N=C2NC=C(C#N)C=12,7.4,3rlq_protein.pt,3rlq_pocket.pt,3rlq_ligand.pt
1lhu,CC12CCC3C4C=CC(O)=CC=4CCC3C1CCC2O,8.83,1lhu_protein.pt,1lhu_pocket.pt,1lhu_ligand.pt
2cej,COC(=O)NC(C(=O)N[NH+](CC1C=CC(Br)=CC=1)CC(O)(CC1C=CC=CC=1)C(=O)NC1C2=CC=CC=C2CC1O)C(C)(C)C,8.62,2cej_protein.pt,2cej_pocket.pt,2cej_ligand.pt
1li3,OC1C=CC=C(Cl)C=1,4.25,1li3_protein.pt,1li3_pocket.pt,1li3_ligand.pt
5jxn,CCC(C)CNC(=O)C(CC(C)C)N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1,6.41,5jxn_protein.pt,5jxn_pocket.pt,5jxn_ligand.pt
4b7j,CCC(CC)OC1CC(CC([NH3+])C1NC(C)=O)C(=O)[O-],7.95,4b7j_protein.pt,4b7j_pocket.pt,4b7j_ligand.pt
1ndw,NC(=O)C1=CN(C=N1)C(CO)CCC1C=CC=CC=1,5.23,1ndw_protein.pt,1ndw_pocket.pt,1ndw_ligand.pt
4hdp,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OC3OCCC3C12,7.51,4hdp_protein.pt,4hdp_pocket.pt,4hdp_ligand.pt
4wkb,CSCC1C[NH+](CC2=CNC3C2=NC=NC=3N)CC1O,11.57,4wkb_protein.pt,4wkb_pocket.pt,4wkb_ligand.pt
1b8o,O=C1NC=NC2C(=CNC=21)C1[NH2+]C(CO)C(O)C1O,10.64,1b8o_protein.pt,1b8o_pocket.pt,1b8o_ligand.pt
3wtj,N#CN=C1SCCN1CC1C=CC(Cl)=NC=1,6.53,3wtj_protein.pt,3wtj_pocket.pt,3wtj_ligand.pt
2fxs,COC(=O)C1=C(O)C=C(O)C(Cl)=C1CCC(=O)NC1=CC(O)=C(C=C1O)OC,6.06,2fxs_protein.pt,2fxs_pocket.pt,2fxs_ligand.pt
5h85,COC(=O)C1C=CC=C(C=1)C(=O)NC1N=CN=C2N=CNC=12,4.7,5h85_protein.pt,5h85_pocket.pt,5h85_ligand.pt
3ttm,[NH3+]CCCC[NH3+],8.52,3ttm_protein.pt,3ttm_pocket.pt,3ttm_ligand.pt
1qk3,NC1=NC2=C(N=CN2C2OC(COP(=O)(=O)=O)C(O)C2O)C(=O)N1,5.15,1qk3_protein.pt,1qk3_pocket.pt,1qk3_ligand.pt
4pft,O=C1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,8.64,4pft_protein.pt,4pft_pocket.pt,4pft_ligand.pt
1x8d,CC1OC(=O)C(O)C(O)C1O,2.21,1x8d_protein.pt,1x8d_pocket.pt,1x8d_ligand.pt
3a5y,NC1=NC=NC2=C1N=CN2C1OC(COS(=O)(=O)NC(=O)C([NH3+])CCCC[NH3+])C(O)C1O,7.96,3a5y_protein.pt,3a5y_pocket.pt,3a5y_ligand.pt
3hl8,CC(C)(C)C1CC(=O)N(N=1)C1=NC2=CC=C(Cl)C=C2S1,4.49,3hl8_protein.pt,3hl8_pocket.pt,3hl8_ligand.pt
5h1u,NC(=O)C1C=CC2N=C(N)SC=2C=1,3.51,5h1u_protein.pt,5h1u_pocket.pt,5h1u_ligand.pt
5nvv,CC1N=CSC=1C1C=CC(=CC=1)CNC(=O)C1CC(O)CN1C(=O)C(NC(=O)CO)C(C)(C)C,6.7,5nvv_protein.pt,5nvv_pocket.pt,5nvv_ligand.pt
4x8o,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2O)N2C=NC3C(N)=NC=NC=32)C(O)C1O,6.6,4x8o_protein.pt,4x8o_pocket.pt,4x8o_ligand.pt
3kdb,CC1=CC=CC(C)=C1OCC(=O)NC(CC1C=CC=CC=1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NC1C2=CC=CC=C2CC1O,9.85,3kdb_protein.pt,3kdb_pocket.pt,3kdb_ligand.pt
1pfu,CSCCC([NH3+])P(=O)(=O)=O,2.72,1pfu_protein.pt,1pfu_pocket.pt,1pfu_ligand.pt
5g61,OCC1OC(OC2(COC3(COC4(COC5(CO)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,6.4,5g61_protein.pt,5g61_pocket.pt,5g61_ligand.pt
2c94,O=C1NC(=O)C2=C(N1)N(CC(O)C(O)C(O)CO)C(=O)N2CCCCC(F)(F)P(=O)(=O)=O,6.82,2c94_protein.pt,2c94_pocket.pt,2c94_ligand.pt
6exs,CCCC(C)(CCO)SCC([NH3+])C(=O)NCC(=O)[O-],3.44,6exs_protein.pt,6exs_pocket.pt,6exs_ligand.pt
4k4j,CC(=CC=CC(C)=CC(=O)[O-])C=C1CCCC2C=CC=CC=21,6.12,4k4j_protein.pt,4k4j_pocket.pt,4k4j_ligand.pt
3o8p,CN1N=C(C=C1NC(=O)NC1C=CC(Cl)=CC=1)C(C)(C)C,6.46,3o8p_protein.pt,3o8p_pocket.pt,3o8p_ligand.pt
6ayo,CCCC1C[NH+](CC2=CNC3C2=NC=NC=3N)CC1O,8.29,6ayo_protein.pt,6ayo_pocket.pt,6ayo_ligand.pt
5j9x,CCCCN(C)C(=O)C1=CC(=C(O)C=C1O)C1NNC(=O)[N+]=1C1=CC=CC=C1F,7.77,5j9x_protein.pt,5j9x_pocket.pt,5j9x_ligand.pt
2i4u,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12,11.57,2i4u_protein.pt,2i4u_pocket.pt,2i4u_ligand.pt
1uv6,C[N+](C)(C)CCOC(N)=O,5.12,1uv6_protein.pt,1uv6_pocket.pt,1uv6_ligand.pt
2qnp,O=S(=O)(C1C=CC=CC=1)N(CC1C=CC(I)=CC=1)C1C[NH2+]CC1N(CC1C=CC(I)=CC=1)S(=O)(=O)C1C=CC=CC=1,6.41,2qnp_protein.pt,2qnp_pocket.pt,2qnp_ligand.pt
6fni,CC1C=CC(=CC=1NC1=NC(=NC2=C1C=NN2C)C1C=CC=NC=1)C(=O)NC1=CC=CC(=C1)C(F)(F)F,8.22,6fni_protein.pt,6fni_pocket.pt,6fni_ligand.pt
1elb,CC(C)CC(NC(=O)C(CCCC[NH3+])NC(=O)C(F)(F)F)C(=O)NC1C=CC(=CC=1)C(C)C,7.15,1elb_protein.pt,1elb_pocket.pt,1elb_ligand.pt
3g30,O=C([O-])C1CC1C(=O)NC1=CC(F)=CC=C1F,2.51,3g30_protein.pt,3g30_pocket.pt,3g30_ligand.pt
1z6e,C[NH+](C)CC1=NC=CN1C1C=CC(NC(=O)C2=CC(=NN2C2C=CC3ON=C(N)C=3C=2)C(F)(F)F)=C(F)C=1,9.72,1z6e_protein.pt,1z6e_pocket.pt,1z6e_ligand.pt
4u1b,CCCC(CCC)C([NH3+])P(=O)(=O)=O,5.31,4u1b_protein.pt,4u1b_pocket.pt,4u1b_ligand.pt
5mwy,COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC24CCC(=O)O4)C13,7.0,5mwy_protein.pt,5mwy_pocket.pt,5mwy_ligand.pt
4b34,NC1=NC2C=CC=CC=2S1,3.14,4b34_protein.pt,4b34_pocket.pt,4b34_ligand.pt
3ibn,NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O,7.61,3ibn_protein.pt,3ibn_pocket.pt,3ibn_ligand.pt
3acl,CC1C=CC(=CC=1)S(=O)(=O)N[S](C)C1C=CC(=CC=1)OCC1C=CC=CC=1,6.22,3acl_protein.pt,3acl_pocket.pt,3acl_ligand.pt
2zjw,O=C1OC2=C(O)C(O)=CC3C(=O)OC4C(O)=C(O)C=C1C=4C=32,7.7,2zjw_protein.pt,2zjw_pocket.pt,2zjw_ligand.pt
6eeo,CC1=CC(=CC=C1F)NC(=O)NC1C=C(C=C(C=1O)[N+](=O)[O-])S(N)(=O)=O,6.43,6eeo_protein.pt,6eeo_pocket.pt,6eeo_ligand.pt
2zz1,N#CC1=CC(=O)NC(=O)N1C1OC(COP(=O)(=O)=O)C(O)C1O,4.54,2zz1_protein.pt,2zz1_pocket.pt,2zz1_ligand.pt
4m8x,CCOP(=O)(COC1C=CC(=CC=1)CC(NC(=O)OC1COC2OCCC12)C(O)CN(CC(C)C)S(=O)(=O)C1C=CC(=CC=1)OC)OCC,10.2,4m8x_protein.pt,4m8x_pocket.pt,4m8x_ligand.pt
5sz3,NS(=O)(=O)C1C=CC(=CC=1)C1=CN=C2C=CC=CC2=C1,8.6,5sz3_protein.pt,5sz3_pocket.pt,5sz3_ligand.pt
3mz6,CN(C)C1C=CC(=CC=1)C(=O)NCCCCCCC(=O)N=O,7.2,3mz6_protein.pt,3mz6_pocket.pt,3mz6_ligand.pt
2qi7,CCC(=O)CCC(=O)NC(CC1C=CC=CC=1)C(O)CN(CC(C)CC)S(=O)(=O)C1C=CC(=CC=1)OC,10.21,2qi7_protein.pt,2qi7_pocket.pt,2qi7_ligand.pt
4k77,O=C1NC=CC2C(=NC=NC=21)NC1CCCCC1,6.63,4k77_protein.pt,4k77_pocket.pt,4k77_ligand.pt
3g1v,O=C1NC(=O)N(C=C1F)C1OC(COP(=O)(=O)=O)C(O)C1O,3.19,3g1v_protein.pt,3g1v_pocket.pt,3g1v_ligand.pt
1p57,N=[C+](=N)C1C=C2N=C(NC2=CC=1)C1=CC=CC=C1O,4.4,1p57_protein.pt,1p57_pocket.pt,1p57_ligand.pt
5amd,NS(=O)(=O)C1=CC=C(C(=O)[O-])C(=C1)S(=O)(=O)NCCC1C=CC=CC=1,8.55,5amd_protein.pt,5amd_pocket.pt,5amd_ligand.pt
3dd0,CCOC1=CC=C2N=C(SC2=C1)S(N)(=O)=O,9.0,3dd0_protein.pt,3dd0_pocket.pt,3dd0_ligand.pt
1k1l,N=[C+](=N)C1C=C(C=CC=1)CC(NS(=O)(=O)C1C=C2C=CC=CC2=CC=1)C(=O)N1CC[NH2+]CC1,6.9,1k1l_protein.pt,1k1l_pocket.pt,1k1l_ligand.pt
2g94,CC1=CC(C)=NN1COC(=O)NC(CS(C)(=O)=O)C(=O)NC(CC(C)C)C(O)CC(C)C(=O)NC(C(=O)NCC(C)C)C(C)C,9.52,2g94_protein.pt,2g94_pocket.pt,2g94_ligand.pt
1g48,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC1C(F)=CC=CC=1F,8.41,1g48_protein.pt,1g48_pocket.pt,1g48_ligand.pt
1nl9,CCCCCNC(=O)C(CC1=CC=C(C2C=CC=CC=21)N(C(=O)C(=O)[O-])C1=CC=CC=C1C(=O)[O-])NC(C)=O,5.96,1nl9_protein.pt,1nl9_pocket.pt,1nl9_ligand.pt
1t7j,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,8.7,1t7j_protein.pt,1t7j_pocket.pt,1t7j_ligand.pt
3gqz,CC(=O)C1C=CC(=CC=1)N1CC(CC1=O)C(=O)[O-],2.17,3gqz_protein.pt,3gqz_pocket.pt,3gqz_ligand.pt
4agm,CC[NH+](CC)C1CC[NH+](CC1)CC1=CC(I)=CC(I)=C1O,3.98,4agm_protein.pt,4agm_pocket.pt,4agm_ligand.pt
3arx,CCCN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C,5.33,3arx_protein.pt,3arx_pocket.pt,3arx_ligand.pt
2yix,CCNC(=O)NCC1=CC=CC=C1SC1C=CC2=NN=C(C(C)C)N2C=1,8.48,2yix_protein.pt,2yix_pocket.pt,2yix_ligand.pt
3p5l,N#CC1(CCN(CC1)C(=S)S)C1C=CC=CC=1,7.39,3p5l_protein.pt,3p5l_pocket.pt,3p5l_ligand.pt
3ewc,CSCC1OC(C(O)C1O)N1C=NC2=C1N=CNCC2O,7.7,3ewc_protein.pt,3ewc_pocket.pt,3ewc_ligand.pt
3wgg,NC(=O)C1=CN(C=CC1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2O)N2C=NC3C(N)=NC=NC=32)C(O)C1O,4.4,3wgg_protein.pt,3wgg_pocket.pt,3wgg_ligand.pt
2gyi,O=C(NO)C(O)C(O)CO,7.0,2gyi_protein.pt,2gyi_pocket.pt,2gyi_ligand.pt
2c3l,C1=CC=C2NC(=NC2=C1)C1=NNC2C=CC=CC=21,5.07,2c3l_protein.pt,2c3l_pocket.pt,2c3l_ligand.pt
5j6n,CCCN(C)S(=O)(=O)C1=CC(C2=NNC(=O)N2C2C=CC=CC=2F)=C(O)C=C1O,7.77,5j6n_protein.pt,5j6n_pocket.pt,5j6n_ligand.pt
5l7g,CC1=NOC(COC2=CC=CC(F)=C2F)=C1C1C=CC(=CC=1)CNS(=O)(=O)C1(C)CC1,7.8,5l7g_protein.pt,5l7g_pocket.pt,5l7g_ligand.pt
1bai,CCCCC(NC(=O)C(C)NC(=O)C(CCC(=O)[O-])NC(=O)C(CC1C=CC=CC=1)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C([NH3+])CCCNC(N)=[NH2+])C(C)C)C(N)=O,7.7,1bai_protein.pt,1bai_pocket.pt,1bai_ligand.pt
1qb9,CC(=N)N1CCC(CC1)OC1=CC=C2C(=C1)N(CC1C=CC3=CC=C(C=C3C=1)[C+](=N)=N)C1C=CC=CC=12,7.44,1qb9_protein.pt,1qb9_pocket.pt,1qb9_ligand.pt
1xff,[NH3+]C(CCC(=O)[O-])C(=O)[O-],4.82,1xff_protein.pt,1xff_pocket.pt,1xff_ligand.pt
3neo,CC1=CC(=CC(C)=C1CC1=CC=C(O)C(=C1)CC1C=CC=CC=1)OCC(=O)[O-],5.92,3neo_protein.pt,3neo_pocket.pt,3neo_ligand.pt
4c52,CCCN(C(=O)NC(CSCC(C)C)C(=O)[O-])C(=O)C1C=CC=C(C#CC2=CC=C(F)C=C2F)C=1,5.68,4c52_protein.pt,4c52_pocket.pt,4c52_ligand.pt
3ts4,NC(=O)C(CCC(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)CCC1C=CC(=CC=1)C1=CC(=CS1)C1C=CC=CC=1,8.72,3ts4_protein.pt,3ts4_pocket.pt,3ts4_ligand.pt
4cgi,[NH3+]CCCCCC(=O)NC1CC2=CC=CC=C2C1CC1C=CC2OCOC=2C=1C(=O)[O-],3.12,4cgi_protein.pt,4cgi_pocket.pt,4cgi_ligand.pt
5llp,NS(=O)(=O)C1C(F)=C(NC2CCCC3C=CC=CC=32)C(=C(F)C=1F)S(=O)(=O)CCO,9.24,5llp_protein.pt,5llp_pocket.pt,5llp_ligand.pt
3kv2,NC(=NO)NCCC([NH3+])C(=O)[O-],7.32,3kv2_protein.pt,3kv2_pocket.pt,3kv2_ligand.pt
6d5g,CC1=CC(=CC(C)=C1F)CN1C2=CC(Cl)=CC(C3=CC[NH2+]CC3)=C2N=C1N1CC[NH2+]CC1,6.6,6d5g_protein.pt,6d5g_pocket.pt,6d5g_ligand.pt
3gm0,C[NH2+]C(C)CC1=CC=C2OCOC2=C1,7.77,3gm0_protein.pt,3gm0_pocket.pt,3gm0_ligand.pt
3u5j,CC1=NN=C2CN=C(C3C=CC=CC=3)C3=CC(Cl)=CC=C3N12,5.61,3u5j_protein.pt,3u5j_pocket.pt,3u5j_ligand.pt
2fvd,COC1=CC=C(F)C(F)=C1C(=O)C1=CN=C(N=C1N)NC1CCN(CC1)S(C)(=O)=O,8.52,2fvd_protein.pt,2fvd_pocket.pt,2fvd_ligand.pt
2q88,CC1=NCCC(N1)C(=O)[O-],5.8,2q88_protein.pt,2q88_pocket.pt,2q88_ligand.pt
4hdf,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OC3OCCC3C12,8.49,4hdf_protein.pt,4hdf_pocket.pt,4hdf_ligand.pt
3gy2,N=[C+](=N)C1C=CC(=CC=1)N=NNC1C=CC(=CC=1)[C+](=N)=N,5.74,3gy2_protein.pt,3gy2_pocket.pt,3gy2_ligand.pt
2j4i,CC(C)N(CCNS(C)(=O)=O)C(=O)C(C)N1CCC(NS(=O)(=O)C2C=C3C=CC(Cl)=CC3=CC=2)C1=O,9.0,2j4i_protein.pt,2j4i_pocket.pt,2j4i_ligand.pt
1ejn,NC(=[NH2+])NC1C=CC(=CC=1)CNC(=O)NC12CC3CC(CC(C3)C1)C2,5.62,1ejn_protein.pt,1ejn_pocket.pt,1ejn_ligand.pt
2qnq,O=S(=O)(C1=CC=CC=C1Cl)N(CC1C=CC=CC=1)C1C[NH2+]CC1N(CC1C=CC=CC=1)S(=O)(=O)C1=CC=CC=C1Cl,6.11,2qnq_protein.pt,2qnq_pocket.pt,2qnq_ligand.pt
4zvi,O=C([O-])CNC(=O)C1C=CC(=CC=1)NC(=O)C1=CC(Br)=C(Br)N1,6.33,4zvi_protein.pt,4zvi_pocket.pt,4zvi_ligand.pt
4ayq,OCC1C(O)C(O)C(O)C2=NC=CN21,7.33,4ayq_protein.pt,4ayq_pocket.pt,4ayq_ligand.pt
1bju,N=[C+](=N)C1C=CC(=CC=1)NC(=O)NC1C=CC(Cl)=CC=1,4.8,1bju_protein.pt,1bju_pocket.pt,1bju_ligand.pt
3vhd,CC1=CC(C)=C2C=C1C(=O)NCCCNC(=O)CCSC1C=C2N=C(N)N=1,9.28,3vhd_protein.pt,3vhd_pocket.pt,3vhd_ligand.pt
2byr,CC[NH+]1CC2(CCC(OC)C34C5CC6C(CC(O)(C5C6OC)C(O)(C(OC)C23)C14)OC)COC(=O)C1=CC=CC=C1N1C(=O)CC(C)C1=O,8.55,2byr_protein.pt,2byr_pocket.pt,2byr_ligand.pt
4y4j,[NH3+]CC(O)C1C=C(O)C(O)=CC=1,2.47,4y4j_protein.pt,4y4j_pocket.pt,4y4j_ligand.pt
1f0t,N=[C+](=N)C1C=C(CN2CCC(NS(=O)(=O)C3=CC4=NC=CC=C4S3)C2=O)C(O)=CC=1,6.0,1f0t_protein.pt,1f0t_pocket.pt,1f0t_ligand.pt
5n2z,CC(C)CC(N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1)C(=O)NCCCC[NH3+],5.31,5n2z_protein.pt,5n2z_pocket.pt,5n2z_ligand.pt
3dsz,O=C([O-])C[NH+](CC(=O)[O-])C(CC1C=CC(=CC=1)NC(S)=NC(CO)(CO)CO)C[NH+](CC(=O)[O-])C1CCCCC1[NH+](CC(=O)[O-])CC(=O)[O-],7.77,3dsz_protein.pt,3dsz_pocket.pt,3dsz_ligand.pt
4mpn,O=S(=O)(C1=CC=C(O)C=C1O)N1C=C2C=C(O)C=C(O)C2=C1,6.62,4mpn_protein.pt,4mpn_pocket.pt,4mpn_ligand.pt
3qxt,CN(CC1C=NC2N=C(N)N=C(N)C=2N=1)C1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],5.22,3qxt_protein.pt,3qxt_pocket.pt,3qxt_ligand.pt
6ckr,CN1C=C(C=N1)C1C=CC2C(=O)N(C)C=C(C3C=CC=C(C=3)NS(C)(=O)=O)C=2C=1,7.3,6ckr_protein.pt,6ckr_pocket.pt,6ckr_ligand.pt
4e4n,CC(C)(C)OC(=O)NC1CCC(C1)N1C=NC2C=NC3NC=CC=3C=21,9.05,4e4n_protein.pt,4e4n_pocket.pt,4e4n_ligand.pt
1w96,COC1C=CC(C)C2OC(O)(C(C)C(=O)OC(CCCCC1OC)C1C=CC=CC=1)C(OC)C(O)C2C,8.41,1w96_protein.pt,1w96_pocket.pt,1w96_ligand.pt
1bv7,O=C(NC1=NC=CS1)C1C=C(C=CC=1)CN1C(=O)N(CC2C=CC=C(C=2)C(=O)NC2=NC=CS2)C(CC2C=CC=CC=2)C(O)C(O)C1CC1C=CC=CC=1,10.3,1bv7_protein.pt,1bv7_pocket.pt,1bv7_ligand.pt
1d3p,OC1=CC=C2C(=C1)SC(C1C=NC(=CC=1)OCC[NH+]1CCCC1)=C2CC1C=CC(=CC=1)OCC[NH+]1CCCC1,7.39,1d3p_protein.pt,1d3p_pocket.pt,1d3p_ligand.pt
4zo5,COC1C=CC(=CC=1)N1C(=O)C2=CC=CC=C2N=C1CCN1C(=O)C2C=CC=C(OC(C)C)C=2C1=O,9.82,4zo5_protein.pt,4zo5_pocket.pt,4zo5_ligand.pt
3v4t,CC(=O)NC1C(OC(CO)C(O)C1O)O[P](=O)(=O)O[P](=O)(=O)OCC1OC(C(O)C1O)N1C=CC(=O)NC1=O,4.11,3v4t_protein.pt,3v4t_pocket.pt,3v4t_ligand.pt
5ayt,O=C(C1C=CC=CC=1)C1C=CC2C(=O)N(O)C(=O)C3=CC=CC=1C=23,6.77,5ayt_protein.pt,5ayt_pocket.pt,5ayt_ligand.pt
2j95,CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)C2=CC=C(S2)C2=CC=C(Cl)S2)C1=O,8.4,2j95_protein.pt,2j95_pocket.pt,2j95_ligand.pt
2cn0,N=[C+](=N)C1C=CC(=CC=1)C1C2C(=O)N(CC3C=CC(F)=CC=3)C(C(F)F)C2C2CCC[NH+]21,7.66,2cn0_protein.pt,2cn0_pocket.pt,2cn0_ligand.pt
4q08,NS(=O)(=O)C1C(F)=C(F)C(SCCO)=C(F)C=1NC1CCCCCCC1,6.3,4q08_protein.pt,4q08_pocket.pt,4q08_ligand.pt
3d6p,O=C1C=CN(C(=O)N1)C1OC(C[NH+]2CCOCC2)C(O)C1O,3.75,3d6p_protein.pt,3d6p_pocket.pt,3d6p_ligand.pt
2xxt,CC(C)C1C[NH2+]C(C(=O)[O-])C1CC(=O)[O-],8.05,2xxt_protein.pt,2xxt_pocket.pt,2xxt_ligand.pt
6ma5,COC1C=CC=CC=1C(NS(=O)(=O)C1C=CC2NC(=O)C=CC=2C=1)C(=O)N(CC(=O)[O-])CC1=CC=CS1,8.1,6ma5_protein.pt,6ma5_pocket.pt,6ma5_ligand.pt
3gt9,C[NH2+]C(C)C(=O)NC(C(=O)N1CCCC1C1=NC(=CS1)C1=CC=CC2C=CC=CC=21)C1CCCCC1,3.96,3gt9_protein.pt,3gt9_pocket.pt,3gt9_ligand.pt
3o9i,CCC(CC)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC2N=CSC=2C=1,11.82,3o9i_protein.pt,3o9i_pocket.pt,3o9i_ligand.pt
1kdk,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O,9.05,1kdk_protein.pt,1kdk_pocket.pt,1kdk_ligand.pt
3dc3,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,8.31,3dc3_protein.pt,3dc3_pocket.pt,3dc3_ligand.pt
3str,CNC(=O)C1=CC=CC(C)=C1NC1=NC(=NC(=N1)N1CCN(CC1)C1=CC=CC=C1Cl)N1CSCC1C(=O)NCC(=O)NO,8.4,3str_protein.pt,3str_pocket.pt,3str_ligand.pt
1i1e,COC1=CC=CC2C(O)=C3C(O)=C4CC(O)(CC(OC5CC([NH3+])C(O)C(C)O5)C4=C(O)C3=C(O)C=21)C(=O)CO,5.03,1i1e_protein.pt,1i1e_pocket.pt,1i1e_ligand.pt
5sz6,NS(=O)(=O)C1C=CC(=CC=1)C1C=C(C=O)C=CC=1,7.0,5sz6_protein.pt,5sz6_pocket.pt,5sz6_ligand.pt
4uj2,O=C1N=CNC2=CC(=CC=C12)C1C[NH2+]CC1C(=O)C1C=C(I)C=CC=1,7.1,4uj2_protein.pt,4uj2_pocket.pt,4uj2_ligand.pt
4dkr,NC(=[NH2+])NC1CC2=CC=CC=C2C1NC(=O)C(=O)NC1=CC=C(Cl)C(F)=C1,6.52,4dkr_protein.pt,4dkr_pocket.pt,4dkr_ligand.pt
1b8n,NC1=NC2C(=CNC=2C(=O)N1)C1[NH2+]C(CO)C(O)C1O,10.52,1b8n_protein.pt,1b8n_pocket.pt,1b8n_ligand.pt
5fol,CCC(C)C([NH3+])C(=O)NC1C(O)C(CO)OC1N1C=NC2C1=NC=NC=2N,3.67,5fol_protein.pt,5fol_pocket.pt,5fol_ligand.pt
1gx8,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,6.37,1gx8_protein.pt,1gx8_pocket.pt,1gx8_ligand.pt
2qu6,CNC(=O)C1C=C(C=CN=1)OC1=CC=C2OC(=NC2=C1)NC1C=CC(Cl)=C(C=1)OCC1CCC[NH+]1C,8.52,2qu6_protein.pt,2qu6_pocket.pt,2qu6_ligand.pt
6gzd,CN1N=CC(C2=NC(=NC=C2F)NC2CCC([NH3+])CC2)=C1CC1CC1,8.01,6gzd_protein.pt,6gzd_pocket.pt,6gzd_ligand.pt
3r5t,CC1OC([NH2+]C1C(=O)NCCCN(CCCNC(=O)C1=CC=CC(O)=C1O)C(=O)C1[NH2+]C(OC1C)C1=CC=CC(O)=C1O)C1=CC=CC(O)=C1O,8.58,3r5t_protein.pt,3r5t_pocket.pt,3r5t_ligand.pt
4ra1,O=P(=O)(=O)OC1C(O)OC(CO)C(O)C1O,5.94,4ra1_protein.pt,4ra1_pocket.pt,4ra1_ligand.pt
1a69,O=C1NC=NC2C(=NNC=21)C1OC(CO)C(O)C1O,5.3,1a69_protein.pt,1a69_pocket.pt,1a69_ligand.pt
4jxs,O=C([O-])C1C=CC(=CC=1)CNS(=O)(=O)C1C=CSC=1C(=O)[O-],4.74,4jxs_protein.pt,4jxs_pocket.pt,4jxs_ligand.pt
5c5t,O=C([O-])CCC(=O)C(=O)[O-],3.13,5c5t_protein.pt,5c5t_pocket.pt,5c5t_ligand.pt
5nxw,NC1=NN=C(SCC(=O)NC2C=CC(=CC=2)S(N)(=O)=O)S1,7.24,5nxw_protein.pt,5nxw_pocket.pt,5nxw_ligand.pt
4hwp,CC1=NC2=CC(=CC=C2C(N)=N1)C1C=CC=C(C=1)S(=O)(=O)NC(=O)C([NH3+])C(C)O,7.76,4hwp_protein.pt,4hwp_pocket.pt,4hwp_ligand.pt
6h37,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CCC(O)(CC1)C1C=CC=CC=1,8.59,6h37_protein.pt,6h37_pocket.pt,6h37_ligand.pt
1ajn,O=C([O-])CC1C=CC(=CC=1)[N+](=O)[O-],2.63,1ajn_protein.pt,1ajn_pocket.pt,1ajn_ligand.pt
3gdt,O=C1C=NN(C(=O)N1)C1OC(COP(=O)(=O)=O)C(O)C1O,7.19,3gdt_protein.pt,3gdt_pocket.pt,3gdt_ligand.pt
5y8y,COC1=CC2ON=C(C)C=2C=C1NS(=O)(=O)C1=CC(Br)=CC=C1OC,7.09,5y8y_protein.pt,5y8y_pocket.pt,5y8y_ligand.pt
2qdt,CC(NC(=O)CCS)C(=O)[O-],5.19,2qdt_protein.pt,2qdt_pocket.pt,2qdt_ligand.pt
1swg,O=C([O-])CCCCC1SCC2NC(=O)NC21,7.36,1swg_protein.pt,1swg_pocket.pt,1swg_ligand.pt
1d6v,O=C([O-])CCCNC(=O)C1C=CC(=CC=1)C1CCC(CC1O)C1C=CC=CC=1,6.17,1d6v_protein.pt,1d6v_pocket.pt,1d6v_ligand.pt
4bks,CC(=O)N1CC(O)CC1C(=O)NCC1C=CC(=CC=1)C1=CN=CO1,3.82,4bks_protein.pt,4bks_pocket.pt,4bks_ligand.pt
3su0,CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C2CC(CN2C1=O)OC(=O)N1C=C2C=CC=C(F)C2=C1)C(=O)NS(=O)(=O)C1CC1,6.79,3su0_protein.pt,3su0_pocket.pt,3su0_ligand.pt
1izh,CC(C)(C)OC(=O)NC(CC1C=CC=CC=1)C(O)CC(CC1C=CC=CC=1)C(=O)NC(CCC(N)=O)C(=O)NC(CC1C=CC=CC=1)C(N)=O,7.7,1izh_protein.pt,1izh_pocket.pt,1izh_ligand.pt
6hke,O=C([O-])CC(O)C(=O)[O-],7.68,6hke_protein.pt,6hke_pocket.pt,6hke_ligand.pt
5j20,CN(CC1=CC=CO1)C(=O)C1=CC(C2=NNC(=O)N2C2=CC=CC=C2F)=C(O)C=C1O,9.14,5j20_protein.pt,5j20_pocket.pt,5j20_ligand.pt
1o0f,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,5.3,1o0f_protein.pt,1o0f_pocket.pt,1o0f_ligand.pt
4e6q,C1=CC=C(C=C1)C[NH+]1CCC(CC1)N1C=NC2C=NC3NC=CC=3C=21,8.36,4e6q_protein.pt,4e6q_pocket.pt,4e6q_ligand.pt
1br6,NC1=NC2=NC=C(CNC3C=CC(=CC=3)C(=O)[O-])N=C2C(=O)N1,3.22,1br6_protein.pt,1br6_pocket.pt,1br6_ligand.pt
3ao4,CN1N=C(C=C1N)C1C=CC2OCOC=2C=1,2.07,3ao4_protein.pt,3ao4_pocket.pt,3ao4_ligand.pt
2fzc,O=C(CP(=O)(=O)=O)NCCNC(=O)CP(=O)(=O)=O,2.7,2fzc_protein.pt,2fzc_pocket.pt,2fzc_ligand.pt
4q4r,O=C1NC=NC2C=C3NC(=NC3=CC=21)NCC[NH+]1CCOCC1,6.43,4q4r_protein.pt,4q4r_pocket.pt,4q4r_ligand.pt
1tpw,O=C(COP(=O)(=O)=O)NO,3.3,1tpw_protein.pt,1tpw_pocket.pt,1tpw_ligand.pt
2i2c,NC1=NC=NC2=C1N=CN2C1OC(CSSCC2OC(C(O)C2O)N2C=NC3C(N)=NC=NC=32)C(O)C1O,4.7,2i2c_protein.pt,2i2c_pocket.pt,2i2c_ligand.pt
3sk2,COC1=CC=C(CO)C2=NC3=CC=CC(C(=O)[O-])=C3N=C12,3.61,3sk2_protein.pt,3sk2_pocket.pt,3sk2_ligand.pt
2xbw,NS(=O)(=O)N1CC(C(=O)NC2C=CC(Cl)=CC=2)C(C1)C(=O)NC1C=CC(=CC=1F)N1C=CC=CC1=O,8.0,2xbw_protein.pt,2xbw_pocket.pt,2xbw_ligand.pt
2pow,NC1=CC(=C(C=C1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F,7.2,2pow_protein.pt,2pow_pocket.pt,2pow_ligand.pt
4q9y,CC1C=CC=C(S)C=1,5.68,4q9y_protein.pt,4q9y_pocket.pt,4q9y_ligand.pt
2ri9,OC1COCC(O)C1O,3.22,2ri9_protein.pt,2ri9_pocket.pt,2ri9_ligand.pt
3zze,CC1=CC=C(Cl)C2=C1NC(=O)C2[NH2+]NC(=O)C(C)C1C=CC(O)=CC=1,8.89,3zze_protein.pt,3zze_pocket.pt,3zze_ligand.pt
4mrg,NC1=CC=CC2C[NH2+]CCC=21,2.96,4mrg_protein.pt,4mrg_pocket.pt,4mrg_ligand.pt
3tzm,NC(=O)C1C=CC(=CC=1)C1=NC(C2=CC=C3OCOC3=C2)=C(N1)C1=CC=CC=N1,7.77,3tzm_protein.pt,3tzm_pocket.pt,3tzm_ligand.pt
3q1x,[NH3+]C(CO)C(=O)[O-],5.33,3q1x_protein.pt,3q1x_pocket.pt,3q1x_ligand.pt
1v48,NC1=NC2=C(N=CN2CCCCC(F)(F)P(=O)(=O)=O)C(=O)N1,7.8,1v48_protein.pt,1v48_pocket.pt,1v48_ligand.pt
1pxo,CC1N=C(N)SC=1C1C=CN=C(N=1)NC1=CC=CC(=C1)[N+](=O)[O-],8.7,1pxo_protein.pt,1pxo_pocket.pt,1pxo_ligand.pt
5hz8,O=C([O-])C1C(=NC2C(=CC(Cl)=CC=2Cl)C=1C1C=CC=CC=1)N1CCCCC1,6.4,5hz8_protein.pt,5hz8_pocket.pt,5hz8_ligand.pt
1rr6,O=C1NC=NC2C(=CNC=21)C1[NH2+]C(CO)C(O)C1O,10.25,1rr6_protein.pt,1rr6_pocket.pt,1rr6_ligand.pt
2xmy,COCCNS(=O)(=O)C1C=CC(=CC=1)NC1=NC=CC(=N1)C1SC(=O)N(C)C=1C,9.96,2xmy_protein.pt,2xmy_pocket.pt,2xmy_ligand.pt
1v2k,O=C(C1CCN(CC1)C1C=CN=CC=1)N1CCN(CC1)S(=O)(=O)C1C=CC2C=C(Cl)C=CC=2C=1,6.19,1v2k_protein.pt,1v2k_pocket.pt,1v2k_ligand.pt
3n86,O=C(CCC1=CC(O)(CC(O)C1O)C(=O)[O-])NC1C=CC=CC=1,5.64,3n86_protein.pt,3n86_pocket.pt,3n86_ligand.pt
4ovh,O=C([O-])CNC(=O)CN1C2C=CC(Br)=CC=2C2CCC(CC=21)C(=O)[O-],4.85,4ovh_protein.pt,4ovh_pocket.pt,4ovh_ligand.pt
5ty9,COC1C=CC(=C(C=1)OC)C1OC(=O)NC1=O,5.21,5ty9_protein.pt,5ty9_pocket.pt,5ty9_ligand.pt
2c3i,CC(=O)C1=CC=CC(=C1)C1=CN=C2C=CC(=NN12)NCC1CC1,7.6,2c3i_protein.pt,2c3i_pocket.pt,2c3i_ligand.pt
2x09,[NH3+]CC1C(O)C(O)C2C(O)CC[NH+]12,3.76,2x09_protein.pt,2x09_pocket.pt,2x09_ligand.pt
5lsh,CCCOC1OC(C(O)CO)C(OC2OC(CO)C(O)C(OC3OC(C(O)CO)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C1O,3.39,5lsh_protein.pt,5lsh_pocket.pt,5lsh_ligand.pt
5hct,CC1=CC=CC(C=NNC(=O)C([NH3+])CC2=CNC3=CC=CC=C23)=C1,7.6,5hct_protein.pt,5hct_pocket.pt,5hct_ligand.pt
5fl5,COC1C=CC(=CC=1)N1C=C(N=N1)C1=CC=C(S1)S(N)(=O)=O,8.19,5fl5_protein.pt,5fl5_pocket.pt,5fl5_ligand.pt
1lf2,CC1=CC=CC(C)=C1OCC(=O)NC(CC1C=CC=CC=1)C(O)CC(CC(C)C)NC(=O)C1C=CC(N)=CC=1,7.52,1lf2_protein.pt,1lf2_pocket.pt,1lf2_ligand.pt
4m13,CCCOC1C=CC2C=CC=C(C=2C=1)N1C=C(NC(N)=O)C(=N1)C(N)=O,6.7,4m13_protein.pt,4m13_pocket.pt,4m13_ligand.pt
3lpk,COCC1CCCN1C(=O)C1C=C(C=C(C)C=1)C(=O)NC(CC1C=C(F)C=C(F)C=1)C(O)C1CN(CC[NH2+]1)S(=O)(=O)C1C=CC=C(C)C=1,9.1,3lpk_protein.pt,3lpk_pocket.pt,3lpk_ligand.pt
5w1e,O=C([O-])C1C=CC(O)=CC=1,5.24,5w1e_protein.pt,5w1e_pocket.pt,5w1e_ligand.pt
4l50,CC(C)CC(=O)C(O)(O)C(O)COP(=O)(=O)=O,6.06,4l50_protein.pt,4l50_pocket.pt,4l50_ligand.pt
6gjm,CCCN(CC1C=CC(N)=CC=1)C(=O)NCC(=O)OCC,3.58,6gjm_protein.pt,6gjm_pocket.pt,6gjm_ligand.pt
2jdu,COC1OC(C)C(O)C(O)C1O,6.72,2jdu_protein.pt,2jdu_pocket.pt,2jdu_ligand.pt
4luz,CC1=CC=CC(=C1)N1N=C(C=C1C1C=CC(=CC=1)OCC1C=CC(=CC=1)C1=CC=C(O1)C(=O)[O-])C(=O)[O-],4.7,4luz_protein.pt,4luz_pocket.pt,4luz_ligand.pt
1fkb,COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C)C(C)CC1CCC(O)C(C1)OC,9.7,1fkb_protein.pt,1fkb_pocket.pt,1fkb_ligand.pt
5mwp,CNC(=O)CC1COC2=CC(F)=CC=C2N1C(=O)C1=CC=C2OCC(=O)NC2=C1,7.5,5mwp_protein.pt,5mwp_pocket.pt,5mwp_ligand.pt
5owl,[NH3+]CCCN1C=NC2=C(Br)C(Br)=C(Br)C(Br)=C21,5.92,5owl_protein.pt,5owl_pocket.pt,5owl_ligand.pt
2izl,[NH2+]=C1NC2CSC(CCCCC(=O)[O-])C2N1,6.0,2izl_protein.pt,2izl_pocket.pt,2izl_ligand.pt
1lst,[NH3+]CCCCC([NH3+])C(=O)[O-],7.85,1lst_protein.pt,1lst_pocket.pt,1lst_ligand.pt
5mrp,N#CC1C=NN2C(=O)C(CC3C=CC=CC=3)C(Cl)=NC=12,5.52,5mrp_protein.pt,5mrp_pocket.pt,5mrp_ligand.pt
4ymx,NC(=[NH2+])NCCCC([NH3+])C(=O)[O-],7.1,4ymx_protein.pt,4ymx_pocket.pt,4ymx_ligand.pt
4k0y,O=C(NC1C=CC(F)=CC=1)C1C=NN2C(O)=CC(=NC=12)C1CC[NH2+]CC1,7.82,4k0y_protein.pt,4k0y_pocket.pt,4k0y_ligand.pt
4ab9,[NH3+]CC1C=CC2OC=CC=2C=1,3.33,4ab9_protein.pt,4ab9_pocket.pt,4ab9_ligand.pt
3iue,COC1=CC=C2C(=C1)C=C(C(=O)NS(=O)(=O)C1C=CC(C)=CN=1)N2CC(=O)[O-],5.82,3iue_protein.pt,3iue_pocket.pt,3iue_ligand.pt
3nq3,CCCCCCCCCC(=O)[O-],3.78,3nq3_protein.pt,3nq3_pocket.pt,3nq3_ligand.pt
4r4i,O=C([O-])C1=CC=C(O1)C1=CC=C2C(=S)N(C=CC2=C1)CC1C=CC(=CC=1)C1=CC(=NN1C1C=C(Cl)C(Cl)=CC=1)C(=O)[O-],6.27,4r4i_protein.pt,4r4i_pocket.pt,4r4i_ligand.pt
1i9n,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC1=CC(F)=CC=C1F,8.66,1i9n_protein.pt,1i9n_pocket.pt,1i9n_ligand.pt
4mnp,CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)CO)C(=O)[O-],7.34,4mnp_protein.pt,4mnp_pocket.pt,4mnp_ligand.pt
3f7h,C[NH2+]C(C)C(=O)NC(C(=O)N1CCC2CCC(NC(=O)C(C3C=CC=CC=3)C3C=CC=CC=3)C21)C(C)(C)C,7.09,3f7h_protein.pt,3f7h_pocket.pt,3f7h_ligand.pt
2fpz,NC1=NC2=CC=CC=C2N1,3.96,2fpz_protein.pt,2fpz_pocket.pt,2fpz_ligand.pt
3v3q,CCCCCCCC(=O)C1=CC(OC)=C(OC)C(OC)=C1CC(=O)OCC,6.6,3v3q_protein.pt,3v3q_pocket.pt,3v3q_ligand.pt
2nmx,CC(=O)NCCC1C=CC(=CC=1)S(N)(=O)=O,5.57,2nmx_protein.pt,2nmx_pocket.pt,2nmx_ligand.pt
3i4b,CC1=CN=C(N=C1C1=CNC(=C1)C(=O)NC(CO)C1C=CC=CC=1)NC1C=CC=CC=1,8.15,3i4b_protein.pt,3i4b_pocket.pt,3i4b_ligand.pt
5gja,O=C([O-])C1=CC=CC=N1,5.55,5gja_protein.pt,5gja_pocket.pt,5gja_ligand.pt
5vd1,CNC(=O)C1=NN(C)C2C3N=C(N=CC=3CC(C)(C)C=21)NC1C=CC(=CC=1)N1CC[NH+](C)CC1,6.0,5vd1_protein.pt,5vd1_pocket.pt,5vd1_ligand.pt
4oc0,O=C(NC(CCCCNC(=O)C1C=CC(I)=CC=1)C(=O)[O-])NC1(CC1)C(=O)[O-],6.5,4oc0_protein.pt,4oc0_pocket.pt,4oc0_ligand.pt
1pro,COC1=CC(=CC=C1O)CN1C(=O)N(CC2C=CC(O)=C(C=2)OC)C(CC2C=CC=CC=2)C(O)C[NH+]1CC1C=CC=CC=1,11.3,1pro_protein.pt,1pro_pocket.pt,1pro_ligand.pt
3kr8,O=C1NC(=NC2CCSCC=21)C1C=CC(=CC=1)C(F)(F)F,8.1,3kr8_protein.pt,3kr8_pocket.pt,3kr8_ligand.pt
4fp1,O=C([O-])C(O)(C(F)(F)F)C(F)(F)F,4.57,4fp1_protein.pt,4fp1_pocket.pt,4fp1_ligand.pt
1e1v,NC1=NC2NC=NC=2C(=N1)OCC1CCCCC1,4.92,1e1v_protein.pt,1e1v_pocket.pt,1e1v_ligand.pt
4m8y,CCOP(=O)(COC1C=CC(=CC=1)CC(NC(=O)OC1COC2OCCC12)C(O)CN(CC(C)C)S(=O)(=O)C1C=CC(=CC=1)OC)OCC,9.96,4m8y_protein.pt,4m8y_pocket.pt,4m8y_ligand.pt
1g46,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC1=CC=CC(F)=C1F,8.8,1g46_protein.pt,1g46_pocket.pt,1g46_ligand.pt
1ta6,CCNC(=O)COC1C=CC(Cl)=CC=1CNC(=O)C1CCCN1C(=O)C([NH3+])C1CCCCC1,9.13,1ta6_protein.pt,1ta6_pocket.pt,1ta6_ligand.pt
5twj,C[S+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,5.25,5twj_protein.pt,5twj_pocket.pt,5twj_ligand.pt
2x95,[NH3+]CCCCC([NH2+]C(CCC1C=CC=CC=1)C(=O)[O-])C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-],4.95,2x95_protein.pt,2x95_pocket.pt,2x95_ligand.pt
5u0z,[NH2+]=C1NC(=O)C2NC(=NC=2N1)SC(C(=O)[O-])C1C=CC=CC=1,6.19,5u0z_protein.pt,5u0z_pocket.pt,5u0z_ligand.pt
5o4f,CN1N=C(C(=O)[O-])C2C([NH2+]CC21)C(=O)[O-],6.68,5o4f_protein.pt,5o4f_pocket.pt,5o4f_ligand.pt
3su5,CCC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(C)(C)CCCCC1=CC=CC3=CN(C=C31)C(=O)O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1,5.58,3su5_protein.pt,3su5_pocket.pt,3su5_ligand.pt
4q6e,CC1=CC(C)=NN1C(=O)CCNC1C=CC(=CC=1)S(N)(=O)=O,6.18,4q6e_protein.pt,4q6e_pocket.pt,4q6e_ligand.pt
3eko,O=C(C1C(O)=CC(O)=CC=1O)N1C=CC=C1,6.7,3eko_protein.pt,3eko_pocket.pt,3eko_ligand.pt
4iic,OCC1C[NH2+]CC(O)C1O,4.85,4iic_protein.pt,4iic_pocket.pt,4iic_ligand.pt
4n6g,N=C1CC2C=CC=CC=2C(=O)N1,5.47,4n6g_protein.pt,4n6g_pocket.pt,4n6g_ligand.pt
3udh,O=C1NC2C=CC=CC=2C12CC[NH2+]C2,2.85,3udh_protein.pt,3udh_pocket.pt,3udh_ligand.pt
5l9o,NC(=O)CCC([NH2+]CC(O)C(O)C(O)C(O)CO)C(=O)[O-],5.4,5l9o_protein.pt,5l9o_pocket.pt,5l9o_ligand.pt
5fcz,CC(=S)NC1COC(CO)C(O)C1O,4.2,5fcz_protein.pt,5fcz_pocket.pt,5fcz_ligand.pt
5ia3,CSC1C=CC=C(C=1)NC1N=CC2C=C(C(=O)N(C)C=2N=1)C1C(Cl)=CC=CC=1Cl,7.34,5ia3_protein.pt,5ia3_pocket.pt,5ia3_ligand.pt
3k1j,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.4,3k1j_protein.pt,3k1j_pocket.pt,3k1j_ligand.pt
3ms9,COC(=O)C1C=CC(Cl)=CC=1N,5.22,3ms9_protein.pt,3ms9_pocket.pt,3ms9_ligand.pt
4ibg,CC1C=CC=C(C=1)C(=O)C1=C(O)C(=O)N(C2C=CC(=CC=2)CC(=O)[O-])C1C1C=C(Cl)C2OCOC=2C=1,3.97,4ibg_protein.pt,4ibg_pocket.pt,4ibg_ligand.pt
5e2r,NC1C=CC(=CC=1)C(=O)C1C=CC(=CC=1)C1C=CC(=CC=1)S(N)(=O)=O,7.06,5e2r_protein.pt,5e2r_pocket.pt,5e2r_ligand.pt
3g1d,O=C1C=CN(C(=O)N1)C1OC(COP(=O)(=O)=O)C(O)C1O,3.48,3g1d_protein.pt,3g1d_pocket.pt,3g1d_ligand.pt
1a4w,CN(C)C1=CC=CC2C(=CC=CC=21)S(=O)(=O)NC(CCCNC(N)=[NH2+])C(=O)N1CCCCC1CCC(=O)C1=NC=CS1,5.92,1a4w_protein.pt,1a4w_pocket.pt,1a4w_ligand.pt
6gfz,CC(=O)NC(C(=O)N1CC(O)C(F)C1C(=O)NCC1C=CC(=CC=1)C1SC=NC=1C)C(C)(C)C,5.51,6gfz_protein.pt,6gfz_pocket.pt,6gfz_ligand.pt
1v2l,N=[C+](=N)C1C=CC=CC=1,4.29,1v2l_protein.pt,1v2l_pocket.pt,1v2l_ligand.pt
2h4k,O=C([O-])COC1C(Br)=C(SC=1C(=O)[O-])C1C=CC=CC=1,5.49,2h4k_protein.pt,2h4k_pocket.pt,2h4k_ligand.pt
3pcf,O=C([O-])C1C=C(F)C(O)=CC=1,6.05,3pcf_protein.pt,3pcf_pocket.pt,3pcf_ligand.pt
4hzm,CCCC(=O)NC1C[NH2+]C(CO)C(O)C1O,4.63,4hzm_protein.pt,4hzm_pocket.pt,4hzm_ligand.pt
3k37,CCC(CC)C(NC(C)=O)C1C(CC(C(=O)[O-])C1O)NC(N)=[NH2+],8.92,3k37_protein.pt,3k37_pocket.pt,3k37_ligand.pt
5lud,NC1C=CC=NC=1N,3.61,5lud_protein.pt,5lud_pocket.pt,5lud_ligand.pt
5vcz,COC1C=C2C(=CC=1OCCC[NH+]1CC[NH+](C)CC1)N=CC(C#N)=C2NC1=CC(Cl)=C(OC)C(Cl)=C1,6.35,5vcz_protein.pt,5vcz_pocket.pt,5vcz_ligand.pt
5f8y,[NH3+]C1C(O)OC(CO)C(O)C1O,4.24,5f8y_protein.pt,5f8y_pocket.pt,5f8y_ligand.pt
5ih9,C[NH+]1CCN(CC1)C1C=CC(=CC=1)N1C=C(C=N1)C1=CC=NC=C1OCC1CC[NH2+]CC1,8.7,5ih9_protein.pt,5ih9_pocket.pt,5ih9_ligand.pt
2weq,COC1=C(O)C=C2NC(O)C(C)CCCC(OC)C(OC(N)=O)C(C)CC(C)C(O)C(CC(C)CC1=C2O)OC,5.9,2weq_protein.pt,2weq_pocket.pt,2weq_ligand.pt
3vtr,CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4[N+](C)(C)C)C(O)C3NC(C)=O)C(O)C2NC(C)=O)C1O,5.57,3vtr_protein.pt,3vtr_pocket.pt,3vtr_ligand.pt
2qi0,COC1=CC=CC(=C1)S(=O)(=O)N(CC1=CC=CS1)CC(O)C(CC1C=CC=CC=1)NC(=O)C1C=CC=C(F)C=1C,7.38,2qi0_protein.pt,2qi0_pocket.pt,2qi0_ligand.pt
2zx8,CC1[NH2+]C(CNC(=O)C2=CC3=CC=CC=C3O2)C(O)C(O)C1O,9.64,2zx8_protein.pt,2zx8_pocket.pt,2zx8_ligand.pt
4jkw,C=C(C)CCO[P](=O)(=O)OP(=O)(=O)=O,4.16,4jkw_protein.pt,4jkw_pocket.pt,4jkw_ligand.pt
4ufi,OCC1[NH2+][NH2+]CC(O)C1O,6.2,4ufi_protein.pt,4ufi_pocket.pt,4ufi_ligand.pt
6b7a,CC1=NC2C(=CC=CC=2O)N1,4.49,6b7a_protein.pt,6b7a_pocket.pt,6b7a_ligand.pt
4zx4,CC(C)(C)C(=O)NC(C(=O)NO)C1C=CC(=CC=1)C1C=C(F)C(F)=C(F)C=1,7.11,4zx4_protein.pt,4zx4_pocket.pt,4zx4_ligand.pt
4n7u,CC(CO)CCC[P](=O)(=O)OP(=O)(=O)=O,6.29,4n7u_protein.pt,4n7u_pocket.pt,4n7u_ligand.pt
1dif,CC(C)C(NC(=O)N(C)CC1=CC=CC=N1)C(=O)NC(CC1C=CC=CC=1)C(O)(O)C(F)(F)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)N(C)CC1=CC=CC=N1)C(C)C,10.66,1dif_protein.pt,1dif_pocket.pt,1dif_ligand.pt
3f3c,[NH3+]C(CC1C=CC(F)=CC=1)C(=O)[O-],6.02,3f3c_protein.pt,3f3c_pocket.pt,3f3c_ligand.pt
4iwz,NS(=O)(=O)C1=NN=C(NC(=O)CC2=CC=CS2)S1,7.29,4iwz_protein.pt,4iwz_pocket.pt,4iwz_ligand.pt
4gq4,CC1(C)CNC(S1)=[N+]1CCN(CC1)C1=NC=NC2SC(=CC=21)CC(F)(F)F,7.66,4gq4_protein.pt,4gq4_pocket.pt,4gq4_ligand.pt
5std,CC(NC1=NC=NC2=CC(F)=C(F)C=C21)C(C1C=CC=CC=1)C1C=CC=CC=1,10.49,5std_protein.pt,5std_pocket.pt,5std_ligand.pt
5aut,O=S(=O)([O-])C1=CC=CC2C=CC=C(NC3C=CC=CC=3)C=21,5.17,5aut_protein.pt,5aut_pocket.pt,5aut_ligand.pt
2ayr,CS(=O)(=O)C1C=CC(=CC=1)C1=CC=C2C=C(O)C=CC2=C1OC1C=CC(=CC=1)OCC[NH+]1CCCCC1,9.29,2ayr_protein.pt,2ayr_pocket.pt,2ayr_ligand.pt
1xh4,CN(C)C1C=CC(O)=C(C=1)C(=O)C1C=CC(=CC=1)C(=O)NC1CCC[NH2+]CC1NC(=O)C1C=CN=CC=1,7.47,1xh4_protein.pt,1xh4_pocket.pt,1xh4_ligand.pt
1k4h,CCCSCC1=CC(N)=CC2C(=O)NC(N)=NC=21,5.11,1k4h_protein.pt,1k4h_pocket.pt,1k4h_ligand.pt
4lm1,O=[N+]([O-])C1=CC=CC2N=CC=CC=21,3.23,4lm1_protein.pt,4lm1_pocket.pt,4lm1_ligand.pt
1g74,CCCCCCCCC=CCCCCCCCC(=O)[O-],6.52,1g74_protein.pt,1g74_pocket.pt,1g74_ligand.pt
5z7j,CC1CCCC(O)CCCC=CC2C=C(O)C=C(O)C=2C(=O)O1,6.6,5z7j_protein.pt,5z7j_pocket.pt,5z7j_ligand.pt
1m0n,CC1=NC=C(COP(=O)(=O)=O)C(C=NC2(CCCC2)P(=O)(=O)=O)=C1O,2.22,1m0n_protein.pt,1m0n_pocket.pt,1m0n_ligand.pt
3axz,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,3.43,3axz_protein.pt,3axz_pocket.pt,3axz_ligand.pt
3b27,CSC1N=C(N)N=C(N=1)C1=CC=CC=C1Cl,5.16,3b27_protein.pt,3b27_pocket.pt,3b27_ligand.pt
4rd0,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.62,4rd0_protein.pt,4rd0_pocket.pt,4rd0_ligand.pt
1ppk,CCOC(=O)C[P](=O)(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C,7.66,1ppk_protein.pt,1ppk_pocket.pt,1ppk_ligand.pt
5kax,CCNC1=CC2OC3=CC(NCC)=C(C)C=C3C(C3=CC=CC=C3C(=O)OCC)C=2C=C1C,6.11,5kax_protein.pt,5kax_pocket.pt,5kax_ligand.pt
1xap,CC(=CC1C=CC(=CC=1)C(=O)[O-])C1=CC=C2C(=C1)C(C)(C)CCC2(C)C,8.7,1xap_protein.pt,1xap_pocket.pt,1xap_ligand.pt
4n8q,NC1=CC(F)=CC=C1C(=O)[O-],3.42,4n8q_protein.pt,4n8q_pocket.pt,4n8q_ligand.pt
5mme,CCOC1C=CC(=CC=1NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)C(C)=O,5.85,5mme_protein.pt,5mme_pocket.pt,5mme_ligand.pt
3a1c,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)CP(=O)(=O)=O)C(O)C1O,4.0,3a1c_protein.pt,3a1c_pocket.pt,3a1c_ligand.pt
2yel,CC1=NN=C2C(N=C(C3C=CC=CC=3)C3=CC=CC=C3N12)NC(=O)OCC1C=CC=CC=1,7.28,2yel_protein.pt,2yel_pocket.pt,2yel_ligand.pt
5hrw,CCCC1=NNC2OC(=O)C3=CC=CC=C3C=21,5.48,5hrw_protein.pt,5hrw_pocket.pt,5hrw_ligand.pt
4nxv,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.42,4nxv_protein.pt,4nxv_pocket.pt,4nxv_ligand.pt
3ueu,CCCCCCCCCCCC(=O)[O-],5.24,3ueu_protein.pt,3ueu_pocket.pt,3ueu_ligand.pt
456c,O=C(CC1(CCOCC1)S(=O)(=O)C1C=CC(=CC=1)OC1C=CC(Cl)=CC=1)NO,9.77,456c_protein.pt,456c_pocket.pt,456c_ligand.pt
5hwu,O=C1C=CN(C(=O)N1)C1CC(O)C(CO[P](=O)(=O)N[P](=O)(=O)OP(=O)(=O)=O)O1,5.27,5hwu_protein.pt,5hwu_pocket.pt,5hwu_ligand.pt
1o86,[NH3+]CCCCC([NH2+]C(CCC1C=CC=CC=1)C(=O)[O-])C(=O)N1CCCC1C(=O)[O-],9.57,1o86_protein.pt,1o86_pocket.pt,1o86_ligand.pt
3gv9,CC(=O)NC1C=CSC=1C(=O)[O-],2.12,3gv9_protein.pt,3gv9_pocket.pt,3gv9_ligand.pt
4q81,CC1=CC(=S)N(O)C(C)=C1,3.02,4q81_protein.pt,4q81_pocket.pt,4q81_ligand.pt
3p8o,C=CC1CC1(NC(=O)C1CC(CN1C(=O)C(NC(=O)OC1CCCC1)C(C)(C)C)OC1=CC(=NC2C=C(C=CC=21)OC)C1=CSC(=N1)NC(=O)C(C)C)C(=O)[O-],8.72,3p8o_protein.pt,3p8o_pocket.pt,3p8o_ligand.pt
4ipn,O=P(=O)(=O)OCC1OC(SC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,3.39,4ipn_protein.pt,4ipn_pocket.pt,4ipn_ligand.pt
3dd8,NS(=O)(=O)OC1=CC=C2C=C(CC3CCCCCC3)S(=O)(=O)C2=C1,7.85,3dd8_protein.pt,3dd8_pocket.pt,3dd8_ligand.pt
1nz7,CCC1=CC(=CC=C1N(C(=O)C(=O)[O-])C1=CC=CC=C1C(=O)[O-])CC(NC(C)=O)C(=O)NCCCCC(=O)NC(CCSC)C(=O)[O-],7.12,1nz7_protein.pt,1nz7_pocket.pt,1nz7_ligand.pt
2v95,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,8.3,2v95_protein.pt,2v95_pocket.pt,2v95_ligand.pt
4gu9,FC1C=CC=CC=1NC1=NC=NC2NN=CC=21,4.37,4gu9_protein.pt,4gu9_pocket.pt,4gu9_ligand.pt
3wtn,NC1=NC=CN1CC1C=CC(Cl)=NC=1,7.04,3wtn_protein.pt,3wtn_pocket.pt,3wtn_ligand.pt
3ivx,COC1=CC=C2C(=C1)C=C(C(=O)NS(=O)(=O)C1=CC3=CC=CC=C3O1)N2CC(=O)[O-],5.74,3ivx_protein.pt,3ivx_pocket.pt,3ivx_ligand.pt
2wb5,CCC(=O)NC1C2=NC(=CN2C(CO)C(O)C1O)CCC1C=CC=CC=1,9.13,2wb5_protein.pt,2wb5_pocket.pt,2wb5_ligand.pt
4xtv,NC1=NC=NC2=C1N=CN2C1CCC(CNS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)C1,9.27,4xtv_protein.pt,4xtv_pocket.pt,4xtv_ligand.pt
4r5a,NS(=O)(=O)OC1CCN(C1)S(=O)(=O)C1OC(CO)C(O)C(O)C1O,8.7,4r5a_protein.pt,4r5a_pocket.pt,4r5a_ligand.pt
3kdd,CC1(C)SCN(C(=O)C(O)C(CC2C=CC=CC=2)NC(=O)COC2C(F)=CC=CC=2F)C1C(=O)NC1C2=CC=CC=C2CC1O,8.46,3kdd_protein.pt,3kdd_pocket.pt,3kdd_ligand.pt
2i4j,CCCCCCCN(CCC1C=CC(=CC=1)OC(C)(CC)C(=O)[O-])C1=NC2=CC=CC=C2O1,6.16,2i4j_protein.pt,2i4j_pocket.pt,2i4j_ligand.pt
4c9x,CC(OC1=CC(=CN=C1N)C1C=NN(C=1)C1CC[NH2+]CC1)C1=C(Cl)C=CC(F)=C1Cl,7.32,4c9x_protein.pt,4c9x_pocket.pt,4c9x_ligand.pt
1no6,O=C([O-])C(=O)N(C1=CC=CC=C1C(=O)[O-])C1=CC=CC2C=CC=CC=21,4.41,1no6_protein.pt,1no6_pocket.pt,1no6_ligand.pt
4hy1,CCC1NC2N=C(N=C(C=2C=1Cl)N1CCC([NH3+])C1)SC1=CC=C2CNC(=O)C2=C1,8.7,4hy1_protein.pt,4hy1_pocket.pt,4hy1_ligand.pt
2xjj,CC1(C)CNC2C=C(O)C(=CC=21)C(=O)N1CC2C=CC=CC=2C1,6.51,2xjj_protein.pt,2xjj_pocket.pt,2xjj_ligand.pt
3ejq,CC1C=CC(=CC=1)C(=O)CC1CCC(O)C2C(O)C(O)C[NH+]12,8.57,3ejq_protein.pt,3ejq_pocket.pt,3ejq_ligand.pt
4r4c,O=C([O-])C1=CC=C(O1)C1C=CC(C(=O)NCC2C=CC(=CC=2)C2=CC(=NN2C2C=CC(Cl)=C(Cl)C=2)C(=O)[O-])=C(Cl)C=1,5.54,4r4c_protein.pt,4r4c_pocket.pt,4r4c_ligand.pt
6gon,O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,5.67,6gon_protein.pt,6gon_pocket.pt,6gon_ligand.pt
5m25,CC(NC(=O)C([NH3+])CO)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(C)C(=O)NCC1C=CC(=CC=1)NNC1C=CC(=CC=1)CO,8.19,5m25_protein.pt,5m25_pocket.pt,5m25_ligand.pt
1f5k,N=[C+](=N)C1C=CC=CC=1,3.74,1f5k_protein.pt,1f5k_pocket.pt,1f5k_ligand.pt
4bqh,CC1=CC=C2NC(=O)C(O)(CC(=O)C3C=CC4OCOC=4C=3)C2=C1Br,5.59,4bqh_protein.pt,4bqh_pocket.pt,4bqh_ligand.pt
5ad1,O=C(NCCCCCCCCNC(=O)C1C=CC=C(O)C=1O)C1C=CC=C(O)C=1O,7.24,5ad1_protein.pt,5ad1_pocket.pt,5ad1_ligand.pt
3uxd,ClC1=CC2NN=NC=2C(Cl)=C1,4.41,3uxd_protein.pt,3uxd_pocket.pt,3uxd_ligand.pt
5i3y,CC(C)(C)CCNC(=O)CCC1C=C2C=C(C=CC2=NC=1N)C1=CC=CC=C1CCC1=CC=C(C=N1)NC(=O)C1C=CC(F)=CC=1,9.4,5i3y_protein.pt,5i3y_pocket.pt,5i3y_ligand.pt
4ibc,O=C([O-])CC1C=CC(=CC=1)N1C(=O)C(O)=C(C(=O)C2C=CC=CC=2Cl)C1C1=CC=CC=C1Cl,2.98,4ibc_protein.pt,4ibc_pocket.pt,4ibc_ligand.pt
4z07,NC1=NC2=C(N=CN2C2OC3COP([O])(=O)OC3C2O)C(=O)N1,7.99,4z07_protein.pt,4z07_pocket.pt,4z07_ligand.pt
2wzm,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OCC(O)C2O)C(O)C1OP(=O)(=O)=O,5.22,2wzm_protein.pt,2wzm_pocket.pt,2wzm_ligand.pt
3pju,NC1=NC2=C(N=CN2C2OC3CO[P](=O)(=O)OC4C(CO[P](=O)(=O)OC3C2O)OC(C4O)N2C=NC3C(=O)NC(N)=NC=32)C(=O)N1,4.88,3pju_protein.pt,3pju_pocket.pt,3pju_ligand.pt
3t2q,O=C1OC(CO)C(O)C(O)C1O,3.66,3t2q_protein.pt,3t2q_pocket.pt,3t2q_ligand.pt
5vc4,COC1C=C2C(=CC=1OCCC[NH+]1CC[NH+](C)CC1)N=CC(C#N)=C2NC1=CC(Cl)=C(OC)C(Cl)=C1,7.36,5vc4_protein.pt,5vc4_pocket.pt,5vc4_ligand.pt
6f1n,COC1C=CC(=CC=1OCCCC(=O)[O-])C1C(C#N)=C(N)N=C2SC(C(N)=O)=C(N)C=12,6.26,6f1n_protein.pt,6f1n_pocket.pt,6f1n_ligand.pt
1ydb,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,8.24,1ydb_protein.pt,1ydb_pocket.pt,1ydb_ligand.pt
4llx,CC1=CC(C)=NC(N)=N1,2.89,4llx_protein.pt,4llx_pocket.pt,4llx_ligand.pt
1b57,O=C(COP(=O)(=O)=O)NO,8.0,1b57_protein.pt,1b57_pocket.pt,1b57_ligand.pt
1nw7,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,5.09,1nw7_protein.pt,1nw7_pocket.pt,1nw7_ligand.pt
2o4l,CCCC1(CCC2C=CC=CC=2)CC(O)=C(C(=O)O1)C(CC)C1C=C(C=CC=1)NS(=O)(=O)C1C=CC(=CN=1)C(F)(F)F,9.22,2o4l_protein.pt,2o4l_pocket.pt,2o4l_ligand.pt
1k1y,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1[NH2+]C1C=C(CO)C(O)C(O)C1O,3.22,1k1y_protein.pt,1k1y_pocket.pt,1k1y_ligand.pt
5vp9,CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C2CC(CN2C1=O)OC1[NH2+]C2CCCCC2[NH2+]C1C1=CC=CS1)C(=O)NS(=O)(=O)C1CC1,8.99,5vp9_protein.pt,5vp9_pocket.pt,5vp9_ligand.pt
1owe,N=[C+](=N)C1C=C2C=CC(=CC2=CC=1)C(=O)NC1C=CC=CC=1,6.2,1owe_protein.pt,1owe_pocket.pt,1owe_ligand.pt
4zeb,O=[P](=O)(OC1C(O)OCC(O)C1O)OC1C(CO)OC(CO)(OC2OC(CO)C(O)C(O)C2O)C1O,6.52,4zeb_protein.pt,4zeb_pocket.pt,4zeb_ligand.pt
5f1r,O=C([O-])C1CSC2=C(C(=CC(=O)N21)CC1=CC=CC2C=CC=CC=21)C1CC1,6.0,5f1r_protein.pt,5f1r_pocket.pt,5f1r_ligand.pt
1d7j,CC(=O)CCO,3.3,1d7j_protein.pt,1d7j_pocket.pt,1d7j_ligand.pt
1v1j,O=C([O-])C1(O)C=C(F)C(O)C(O)C1,4.82,1v1j_protein.pt,1v1j_pocket.pt,1v1j_ligand.pt
2o0u,N#CC1=C(NC(=O)C2=CC=CC3=CC=CC=C32)SC2CN(CCC=21)C(=O)CC[NH+]1CCCCC1,5.49,2o0u_protein.pt,2o0u_pocket.pt,2o0u_ligand.pt
2bpy,CC1CCC(O)C1NC(=O)C(CC1C=CC=CC=1)CC(O)C[NH+]1CCN(CC1C(=O)NC(C)(C)C)C(=O)C1C=NC(=C(Cl)N=1)N1CC[NH+](C)CC1,7.4,2bpy_protein.pt,2bpy_pocket.pt,2bpy_ligand.pt
2uxi,O=C(CCC1C=CC(O)=CC=1)C1C(O)=CC(O)=CC=1O,7.3,2uxi_protein.pt,2uxi_pocket.pt,2uxi_ligand.pt
2wc4,CCCCCCCCN=C1SCC2C(O)C(O)C(O)C(O)N12,5.29,2wc4_protein.pt,2wc4_pocket.pt,2wc4_ligand.pt
4km2,COC1=CC(=CC(OC)=C1OC)CC1C=NC(N)=NC=1N,5.84,4km2_protein.pt,4km2_pocket.pt,4km2_ligand.pt
5mxf,COC1OC(C)C(O)C(O)C1O,3.59,5mxf_protein.pt,5mxf_pocket.pt,5mxf_ligand.pt
3aas,CC(N=CC1=CC(=CC=C1O)NC(N)=[NH2+])C(=O)[O-],4.51,3aas_protein.pt,3aas_pocket.pt,3aas_ligand.pt
2y5f,O=C1C2C(C(=O)N1CCC[N+]1(CCO)CCCC1)C(C1C=C(ON=1)C1=CC=C(Cl)S1)[NH+]1CCCC21,8.7,2y5f_protein.pt,2y5f_pocket.pt,2y5f_ligand.pt
4yzu,CC1C=C2N=C(CCNC(=O)C3C=CC(=CC=3)N3C=NN=C3)NC2=CC=1C,5.05,4yzu_protein.pt,4yzu_pocket.pt,4yzu_ligand.pt
4ngp,O=C([O-])CCC(NC(=O)NC(CCCCNC(=O)C1=CC=CC=C1OCCNC(=O)CCOCCO)C(=O)[O-])C(=O)[O-],7.96,4ngp_protein.pt,4ngp_pocket.pt,4ngp_ligand.pt
1tmn,CC(C)CC([NH2+]C(CCC1C=CC=CC=1)C(=O)[O-])C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-],7.3,1tmn_protein.pt,1tmn_pocket.pt,1tmn_ligand.pt
6g9u,NS(=O)(=O)C1=C(F)C(F)=C(SCCC2C=CC(=CC=2)C(=O)[O-])C(F)=C1NC1CCCCCCC1,6.43,6g9u_protein.pt,6g9u_pocket.pt,6g9u_ligand.pt
5etb,CC(=O)C1=CNC2C(C)=CC=CC=21,4.54,5etb_protein.pt,5etb_pocket.pt,5etb_ligand.pt
3b3w,CC(C)CC([NH3+])C(=O)[O-],4.19,3b3w_protein.pt,3b3w_pocket.pt,3b3w_ligand.pt
4fm8,CC(C)OC1C=C(C=CC=1)C[NH+]1CCC2(CC1C)CN(C)S(=O)(=O)N2C1C=C(F)C=CC=1,5.97,4fm8_protein.pt,4fm8_pocket.pt,4fm8_ligand.pt
4kz3,NS(=O)(=O)C1C=C(Cl)SC=1C(=O)[O-],2.77,4kz3_protein.pt,4kz3_pocket.pt,4kz3_ligand.pt
2vwn,O=C(C[NH+]1CC(O)C(C1)NC(=O)C1=CC=C(Cl)S1)NC1=CC=C(C=C1F)N1C=CC=CC1=O,8.0,2vwn_protein.pt,2vwn_pocket.pt,2vwn_ligand.pt
4kax,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.77,4kax_protein.pt,4kax_pocket.pt,4kax_ligand.pt
3nhi,CCCCCC=CCCC=CCCCCC(O)CCCC(=O)[O-],8.43,3nhi_protein.pt,3nhi_pocket.pt,3nhi_ligand.pt
4h3f,COC1=CC=CC(=N1)N1CC2C(=O)N(C)[C+](=N)NC2(C1)C1=CC(=CS1)C1C=CC=C(C#N)C=1,9.0,4h3f_protein.pt,4h3f_pocket.pt,4h3f_ligand.pt
1aaq,COC(=O)C(NC(=O)C(NC(=O)CCC(O)C(CC1C=CC=CC=1)NC(=O)C(C)NC(=O)C(C)[NH3+])C(C)C)C(C)C,8.4,1aaq_protein.pt,1aaq_pocket.pt,1aaq_ligand.pt
2std,CCC1(C(=O)NC(C)C2C=CC(Cl)=CC=2)C(C)C1(Cl)Cl,9.85,2std_protein.pt,2std_pocket.pt,2std_ligand.pt
188l,CC1C=CC=CC=1C,3.33,188l_protein.pt,188l_pocket.pt,188l_ligand.pt
4zzx,COCCCN1CC2C=CC=C(C(N)=O)C=2C1=O,6.9,4zzx_protein.pt,4zzx_pocket.pt,4zzx_ligand.pt
4poj,CC(C=CC=C(C)CC1C=CC=C2C=CC(C)=CC=12)=CC(=O)[O-],8.1,4poj_protein.pt,4poj_pocket.pt,4poj_ligand.pt
4ocq,CC(=O)NC1C(O)OC(CO)C(O)C1O,4.61,4ocq_protein.pt,4ocq_pocket.pt,4ocq_ligand.pt
1z1h,CC(C)CCN(CC(O)C1CC2C=CC(=CC=2)OCCCC(=O)NC(C(=O)N1)C(C)C)S(=O)(=O)C1C=CC=CC=1,8.4,1z1h_protein.pt,1z1h_pocket.pt,1z1h_ligand.pt
4n6z,NC1N=CC=NC=1C(=O)NC1=CN=CC=C1N1CCCC([NH3+])C1,7.8,4n6z_protein.pt,4n6z_pocket.pt,4n6z_ligand.pt
1siv,COC(=O)C(NC(=O)C(NC(=O)CCC(O)C(CC1C=CC=CC=1)NC(=O)C(C)NC(=O)C(C)[NH3+])C(C)C)C(C)C,8.08,1siv_protein.pt,1siv_pocket.pt,1siv_ligand.pt
5dx4,CCN1C(=O)C2=CC=CC3C(=CC=C1C=32)NS(=O)(=O)C1=CC(Br)=CC=C1OC,6.86,5dx4_protein.pt,5dx4_pocket.pt,5dx4_ligand.pt
3wto,NC1=NC=CN1CC1C=CC(Cl)=NC=1,6.92,3wto_protein.pt,3wto_pocket.pt,3wto_ligand.pt
4lrr,O=C(OC1=CC=C2OC(=O)C3C=CC=C1C=32)C1C=CC(=CC=1)[N+](=O)[O-],5.22,4lrr_protein.pt,4lrr_pocket.pt,4lrr_ligand.pt
4cwr,NC1=N[N+]2C(CC3=CC=C4OCOC4=C3)=NC3C=CC=C(F)C=3C=2N1,8.3,4cwr_protein.pt,4cwr_pocket.pt,4cwr_ligand.pt
4kxn,O=P(=O)(=O)OCC1OC(C(O)C1O)N1C=NC2C(=NC=NC=21)NCC1=CC=CO1,6.1,4kxn_protein.pt,4kxn_pocket.pt,4kxn_ligand.pt
2vmd,COC1OC(CO)C(O)C(O)C1O,3.02,2vmd_protein.pt,2vmd_pocket.pt,2vmd_ligand.pt
1h46,CC(C)N=CC(O)COC1=CC=CC2=CC=CC=C21,3.57,1h46_protein.pt,1h46_pocket.pt,1h46_ligand.pt
4mr6,COC1=CC(OC)=C2C(=O)NC(=NC2=C1)C1C=C(C)C(OCCO)=C(C)C=1,6.6,4mr6_protein.pt,4mr6_pocket.pt,4mr6_ligand.pt
5edd,[O]P([O])(=O)OP([O])(=O)NP([O])(=O)OCC1OC(CC1O)N1C=CC(=O)NC1=O,5.24,5edd_protein.pt,5edd_pocket.pt,5edd_ligand.pt
3i4y,OC1C=C(Cl)C=C(Cl)C=1O,7.05,3i4y_protein.pt,3i4y_pocket.pt,3i4y_ligand.pt
5j7q,OC1C=CC(=CC=1O)C1=CN2C=CC=CC2=N1,4.58,5j7q_protein.pt,5j7q_pocket.pt,5j7q_ligand.pt
1p19,O=C1NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,4.11,1p19_protein.pt,1p19_pocket.pt,1p19_ligand.pt
3t83,CCC(=O)OC1C(=O)OC(COS(N)(=O)=O)C(OC(=O)CC)C1OC(=O)CC,6.98,3t83_protein.pt,3t83_pocket.pt,3t83_ligand.pt
3nkk,CC1C=CC(=CC=1F)[C+](=N)=N,4.7,3nkk_protein.pt,3nkk_pocket.pt,3nkk_ligand.pt
4ddm,O=C([O-])C1C=CC2=NSN=C2C=1,2.46,4ddm_protein.pt,4ddm_pocket.pt,4ddm_ligand.pt
6g2l,O=C1NC(=O)N(C=C1CSCP(=O)(=O)=O)C1CC2OC(OCC2O1)(C1C=CC=CC=1)P(=O)(=O)=O,7.17,6g2l_protein.pt,6g2l_pocket.pt,6g2l_ligand.pt
2q8m,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,4.03,2q8m_protein.pt,2q8m_pocket.pt,2q8m_ligand.pt
4xty,NC1=NC=NC2=C1N=CN2C1OC(CNS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)C(O)C1F,9.21,4xty_protein.pt,4xty_pocket.pt,4xty_ligand.pt
3ouj,O=C([O-])CCC(=O)C(=O)[O-],6.05,3ouj_protein.pt,3ouj_pocket.pt,3ouj_ligand.pt
1k27,CSCC1[NH2+]C(C2=CNC3C(N)=NC=NC=32)C(O)C1O,9.0,1k27_protein.pt,1k27_pocket.pt,1k27_ligand.pt
4tpw,O=C([O-])C(CC1=CC=CC=C1[N+](=O)[O-])=NNC1=NC(=CS1)C1C=CC(Cl)=C(Cl)C=1,4.69,4tpw_protein.pt,4tpw_pocket.pt,4tpw_ligand.pt
4lxz,O=C(CCCCCCC(=O)NC1C=CC=CC=1)NO,6.74,4lxz_protein.pt,4lxz_pocket.pt,4lxz_ligand.pt
4x24,CSCC1C[NH+](CC2=CNC3C2=NC=NC=3N)CC1O,9.78,4x24_protein.pt,4x24_pocket.pt,4x24_ligand.pt
4ij1,O=C([O-])C1=CC=CC=C1NC1=CC=CC=C1C(=O)[O-],5.4,4ij1_protein.pt,4ij1_pocket.pt,4ij1_ligand.pt
1ajq,O=C([O-])CC1=CC=CS1,4.31,1ajq_protein.pt,1ajq_pocket.pt,1ajq_ligand.pt
4l51,O=P(=O)(=O)OCC1OC(O)C(O)C1O,3.0,4l51_protein.pt,4l51_pocket.pt,4l51_ligand.pt
3pn4,CCCCCC(CC(=O)NO)C(=O)NC(C(=O)N1CCCC1CO)C(C)C,6.85,3pn4_protein.pt,3pn4_pocket.pt,3pn4_ligand.pt
3ime,O=C([O-])C1=CC2=CC=CC=C2O1,3.0,3ime_protein.pt,3ime_pocket.pt,3ime_ligand.pt
5ehr,CC1([NH3+])CCN(CC1)C1C=NC(C2=CC=CC(Cl)=C2Cl)=C(N)N=1,7.14,5ehr_protein.pt,5ehr_pocket.pt,5ehr_ligand.pt
2r58,C[NH+](C)CCCCC([NH3+])C(=O)[O-],2.0,2r58_protein.pt,2r58_pocket.pt,2r58_ligand.pt
2pwr,NC(=O)C1C=CC(=CC=1)S(=O)(=O)N(CC1C=CC=CC=1)C1C[NH2+]CC1N(CC1C=CC=CC=1)S(=O)(=O)C1C=CC(=CC=1)C(N)=O,6.59,2pwr_protein.pt,2pwr_pocket.pt,2pwr_ligand.pt
3oe5,O=C(NCC=CC1OC(SC2C=CN=CC=2)C(O)C1O)C1C=C(C=C(O)C=1O)[N+](=O)[O-],6.88,3oe5_protein.pt,3oe5_pocket.pt,3oe5_ligand.pt
5dpx,CC1=CC=CC=C1C1N=C(S)NN=1,4.46,5dpx_protein.pt,5dpx_pocket.pt,5dpx_ligand.pt
5fnt,CN1N=NC2=CC(=CC=C21)C(CC(=O)[O-])C1C=C(CN(C)S(=O)(=O)C2C=CC=CC=2)C(Cl)=CC=1,6.17,5fnt_protein.pt,5fnt_pocket.pt,5fnt_ligand.pt
4mdn,CC(C)(C)NC(=O)C1(C2C3=CC=C(Cl)C=C3NC=2C(=O)[O-])N2C(=O)C21C1C=CC(=CC=1)OCC1C=CC(Cl)=CC=1,6.22,4mdn_protein.pt,4mdn_pocket.pt,4mdn_ligand.pt
4i54,NC(=[NH2+])NCC1CC2=CC=CC=C2C1NC(=O)C(=O)NC1C=CC(Cl)=C(F)C=1,6.96,4i54_protein.pt,4i54_pocket.pt,4i54_ligand.pt
3cl0,CCC(CC)OC1C=C(CC([NH3+])C1NC(C)=O)C(=O)[O-],7.07,3cl0_protein.pt,3cl0_pocket.pt,3cl0_ligand.pt
3fx6,O=C([O-])C(CC1C=CC=CC=1)CC(O)(O)C[N+](=O)[O-],6.8,3fx6_protein.pt,3fx6_pocket.pt,3fx6_ligand.pt
3bxg,O=P(=O)(=O)OCC1OC(O)C(O)C(O)C1O,4.96,3bxg_protein.pt,3bxg_pocket.pt,3bxg_ligand.pt
3l4v,O=S(=O)([O-])OC(C(O)C[S+]1CC(O)C(O)C1CO)C(O)C(O)C(O)CO,6.72,3l4v_protein.pt,3l4v_pocket.pt,3l4v_ligand.pt
5fto,C[NH+]1CCN(CC1)C1C=C(NC2CCOCC2)C(=CC=1)C(=O)NC1NN=C2C=CC(=CC=12)CC1C=C(F)C=C(F)C=1,8.21,5fto_protein.pt,5fto_pocket.pt,5fto_ligand.pt
3pcn,O=C([O-])CC1=CC=C(O)C(O)=C1,3.66,3pcn_protein.pt,3pcn_pocket.pt,3pcn_ligand.pt
2vk6,CC(=O)NC1C(O)C=C(OC1C(O)C(O)CO)C(=O)[O-],5.3,2vk6_protein.pt,2vk6_pocket.pt,2vk6_ligand.pt
1elc,CC(C)C1C=CC(=CC=1)NC(=O)C(CC1C=CC=CC=1)NC(=O)C(CCCC[NH3+])NC(=O)C(F)(F)F,6.66,1elc_protein.pt,1elc_pocket.pt,1elc_ligand.pt
3t0x,C[N+]1C2=CC=CC=C2C(C)(C)C=1C=CCC1C=C[N+](CCCS(=O)(=O)[O-])=C2C=CC=CC=12,8.0,3t0x_protein.pt,3t0x_pocket.pt,3t0x_ligand.pt
1q65,C[NH+](C)CCSCC1C=C(N)C=C2C(=O)NC(N)=NC=12,5.46,1q65_protein.pt,1q65_pocket.pt,1q65_ligand.pt
3uxl,O=N[N+](=O)C1C=CC=CC=1,5.57,3uxl_protein.pt,3uxl_pocket.pt,3uxl_ligand.pt
3ok9,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OC3OCCC3C12,11.23,3ok9_protein.pt,3ok9_pocket.pt,3ok9_ligand.pt
1xgi,O=C([O-])C1SC=CC=1S(=O)(=O)NC1=CC=CC(=C1)[N+](=O)[O-],4.85,1xgi_protein.pt,1xgi_pocket.pt,1xgi_ligand.pt
4qp2,NC1=NC2=CC(Cl)=CC=C2O1,3.03,4qp2_protein.pt,4qp2_pocket.pt,4qp2_ligand.pt
3ip8,O=P(=O)(=O)CC1C=CC=CC=1,2.28,3ip8_protein.pt,3ip8_pocket.pt,3ip8_ligand.pt
4iie,OC1C2CCC(O)([NH2+]2)C(O)C1O,2.34,4iie_protein.pt,4iie_pocket.pt,4iie_ligand.pt
1bxq,COC(=O)C(CC1C=CC=CC=1)O[P](=O)(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)CC(C)C)C(C)C,7.38,1bxq_protein.pt,1bxq_pocket.pt,1bxq_ligand.pt
3dx2,CS(=O)C1C([NH3+])C(O)C(O)C1O,6.82,3dx2_protein.pt,3dx2_pocket.pt,3dx2_ligand.pt
4lko,COCCN1CC2=NC(C)=C(C[NH3+])C(C3C=CC(Cl)=CC=3Cl)=C2C1=O,8.22,4lko_protein.pt,4lko_pocket.pt,4lko_ligand.pt
3sv2,[NH3+]C(CC1C=CC=CC=1)C(=O)N1CCCC1C(=O)NCC1C=CN=CC=1,4.19,3sv2_protein.pt,3sv2_pocket.pt,3sv2_ligand.pt
2vpn,CC1=NCCC(N1)C(=O)[O-],6.72,2vpn_protein.pt,2vpn_pocket.pt,2vpn_ligand.pt
4css,CNS(=O)(=O)C1C=CC(=CC=1)C1C=CC(=CC=1)OC1OC(CO)C(O)C(O)C1O,8.46,4css_protein.pt,4css_pocket.pt,4css_ligand.pt
4xip,CC1=CN(C2C=CC(=CC=2)C(N)=O)C2CC(C)(C)CC(=O)C=21,6.63,4xip_protein.pt,4xip_pocket.pt,4xip_ligand.pt
5l4i,CC1C(Cl)=CC=CC=1NC1=NC=CC=C1C(=O)[O-],6.59,5l4i_protein.pt,5l4i_pocket.pt,5l4i_ligand.pt
2dri,OC1COC(O)C(O)C1O,6.89,2dri_protein.pt,2dri_pocket.pt,2dri_ligand.pt
1nw5,C[S+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,5.21,1nw5_protein.pt,1nw5_pocket.pt,1nw5_ligand.pt
3ccz,CC(C)C1=C(N=C(C2C=CC(F)=CC=2)N1CCC(O)CC(O)CC(=O)[O-])C(=O)NC(CO)C1C=CC=CC=1,7.29,3ccz_protein.pt,3ccz_pocket.pt,3ccz_ligand.pt
1h2k,O=C([O-])CNC(=O)C(=O)[O-],2.92,1h2k_protein.pt,1h2k_pocket.pt,1h2k_ligand.pt
6hrq,O=C(NO)C1=CC=CC(=C1)C1=CN(CSC2C=CC=CC=2)N=N1,7.09,6hrq_protein.pt,6hrq_pocket.pt,6hrq_ligand.pt
2clk,O=CC(O)COP(=O)(=O)=O,3.79,2clk_protein.pt,2clk_pocket.pt,2clk_ligand.pt
2vo4,O=[N+]([O-])C1C=CC(=CC=1)CS,4.94,2vo4_protein.pt,2vo4_pocket.pt,2vo4_ligand.pt
5eqe,C[NH+]1CCC[NH+](CC1)CC1C=CC(=CC=1)C[NH3+],3.88,5eqe_protein.pt,5eqe_pocket.pt,5eqe_ligand.pt
5uov,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)C1=CC=CC(=C1)C(=O)N1CCCC1C1=NC(C)=CS1,10.6,5uov_protein.pt,5uov_pocket.pt,5uov_ligand.pt
6ayq,CSCC1C[NH+](CC2=CNC3C2=NC=NC=3N)CC1O,8.19,6ayq_protein.pt,6ayq_pocket.pt,6ayq_ligand.pt
3u8k,CCOC1=CN=CC(=C1)N1CCC[NH2+]CC1,8.66,3u8k_protein.pt,3u8k_pocket.pt,3u8k_ligand.pt
2zmm,CNC(=O)N(C1C=C(C=CC=1)C1SC(C(=O)[O-])=C(OCC(=O)[O-])C=1Br)C1CCCCC1,7.6,2zmm_protein.pt,2zmm_pocket.pt,2zmm_ligand.pt
4x6n,NC1=NNC2C=C(C=CC=21)C1N=C(NC=1Cl)C(CC1C=CC=CC=1)NC(=O)NCC1C=C(Cl)C=CC=1N1C=NN=N1,8.82,4x6n_protein.pt,4x6n_pocket.pt,4x6n_ligand.pt
4n9c,O=[N+]([O-])C1C=C2N=CNC2=CC=1,3.9,4n9c_protein.pt,4n9c_pocket.pt,4n9c_ligand.pt
1fl3,O=C([O-])CCCC(=O)NC1C=CC(C=CC2C=CC=CC=2)=CC=1,6.8,1fl3_protein.pt,1fl3_pocket.pt,1fl3_ligand.pt
5sym,O=C(C[NH+]1CCN(CC1)C(=O)C1=CC=CO1)NC1C=C(C=CC=1Cl)C(F)(F)F,6.55,5sym_protein.pt,5sym_pocket.pt,5sym_ligand.pt
1ec3,CC(C)C(NC(=O)C(OCC1C=CC=CC=1)C(O)C(O)C(OCC1C=CC=CC=1)C(=O)NC(C(=O)NCC1=CC=CC=N1)C(C)C)C(=O)NCC1=CC=CC=N1,9.04,1ec3_protein.pt,1ec3_pocket.pt,1ec3_ligand.pt
5ev8,O=C([O-])C1CSC2CSC(CS)[NH+]21,5.22,5ev8_protein.pt,5ev8_pocket.pt,5ev8_ligand.pt
3ebp,C[NH+]1CCC(C2C(O)=CC(O)=C3C(=O)C=C(OC=23)C2C=CC=CC=2Cl)C(O)C1,5.91,3ebp_protein.pt,3ebp_pocket.pt,3ebp_ligand.pt
1if7,CC(CNC(=O)C1C=CC(=CC=1)S(N)(=O)=O)CN1C=CC2C=CC=CC=21,10.52,1if7_protein.pt,1if7_pocket.pt,1if7_ligand.pt
3ru1,NC1=NC2=CC=CC=C2C=C1CCC(=O)NCC1CCCCC1,4.85,3ru1_protein.pt,3ru1_pocket.pt,3ru1_ligand.pt
1uwt,OCC1NC(=NO)C(O)C(O)C1O,5.97,1uwt_protein.pt,1uwt_pocket.pt,1uwt_ligand.pt
2vhj,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,3.9,2vhj_protein.pt,2vhj_pocket.pt,2vhj_ligand.pt
5ti0,OC1C=CC=CC=C1S,4.21,5ti0_protein.pt,5ti0_pocket.pt,5ti0_ligand.pt
5ka9,O=C([O-])C(=O)NC1SC2C[NH2+]CCC=2C=1C(=O)[O-],4.41,5ka9_protein.pt,5ka9_pocket.pt,5ka9_ligand.pt
3utu,COC1=CC=C(C=C1Cl)S(=O)(=O)NC(CC(=O)NCC1C=CC(C#N)=CC=1)C(=O)N1CCCC1C(=O)NCC1C=CC(=CC=1)[C+](=N)=N,10.92,3utu_protein.pt,3utu_pocket.pt,3utu_ligand.pt
5op4,CCNC1N=C(N=CC=1C(F)(F)F)NC1=CC(F)=C(C=C1OC)C(=O)N1CCOCC1,6.71,5op4_protein.pt,5op4_pocket.pt,5op4_ligand.pt
3zc5,CC(C1C=CC2=NC=CC=C2C=1)C1=NN=C2C=CC(=NN21)C1C=NN(C)C=1,7.13,3zc5_protein.pt,3zc5_pocket.pt,3zc5_ligand.pt
1f8d,CC(=O)NC1C(O)C=C(OC1C(O)C(O)C[NH3+])C(=O)[O-],3.4,1f8d_protein.pt,1f8d_pocket.pt,1f8d_ligand.pt
6std,CC(NC(=O)C1(C(C)C1(Cl)Cl)S(C)=O)C1C=CC(Br)=CC=1,8.64,6std_protein.pt,6std_pocket.pt,6std_ligand.pt
5n0d,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CCC2=CC(O)=C(O)C=C2C1C1C=CC=CC=1,8.48,5n0d_protein.pt,5n0d_pocket.pt,5n0d_ligand.pt
4pcs,CC1[NH2+]C(C#CC2C=CC=CC=2)C(O)C1O,7.85,4pcs_protein.pt,4pcs_pocket.pt,4pcs_ligand.pt
4ivd,CC(O)C1=NC2C=NC3NC=CC=3C=2N1C1CCC(CCC#N)CC1,9.52,4ivd_protein.pt,4ivd_pocket.pt,4ivd_ligand.pt
4i8w,CC(C)CN(CC(O)C(CC1C=CC=CC=1)[NH2+]C(O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(=CC=1)C(=O)[O-],10.9,4i8w_protein.pt,4i8w_pocket.pt,4i8w_ligand.pt
1q72,COC(=O)C1C(CC2CCC1[NH+]2C)OC(=O)C1C=CC=CC=1,6.85,1q72_protein.pt,1q72_pocket.pt,1q72_ligand.pt
4jfk,COC1C=CC(=CC=1OC)OCCN1CCC2CCCC(C1=O)N2S(=O)(=O)C1C=CC2NC(=O)SC=2C=1,6.44,4jfk_protein.pt,4jfk_pocket.pt,4jfk_ligand.pt
1ghv,N=[C+](=N)C1C=CC2NC(=NC=2C=1)C1=CC=CNC1=O,4.35,1ghv_protein.pt,1ghv_pocket.pt,1ghv_ligand.pt
4q4o,N=[C+]1NC(=O)C2C=C3N=C(NCC[NH+]4CCCCC4)NC3=CC=2N1,7.46,4q4o_protein.pt,4q4o_pocket.pt,4q4o_ligand.pt
4qgd,C[NH+](C)CC1=CNC2C1=CC=CC=2CCCO,7.43,4qgd_protein.pt,4qgd_pocket.pt,4qgd_ligand.pt
6guh,CC1=NC=C(C2=CC=NC(=N2)NC2C=CC(=CC=2)S(C)(=O)=O)N1C(C)C,7.59,6guh_protein.pt,6guh_pocket.pt,6guh_ligand.pt
2hs1,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,8.48,2hs1_protein.pt,2hs1_pocket.pt,2hs1_ligand.pt
4gah,CCCCCC=CCCC(O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[P](=O)(=O)O[P](=O)(=O)OCC1OC(C(O)C1OP(=O)(=O)=O)N1C=NC2C1=NC=NC=2N,6.1,4gah_protein.pt,4gah_pocket.pt,4gah_ligand.pt
5een,O=NC(=O)C=CC1C=CC=C(C=1)S(=O)(=O)NC1C=CC=CC=1,8.96,5een_protein.pt,5een_pocket.pt,5een_ligand.pt
3fql,CNC(=O)C1C2=CC(=C(C=C2OC=1C1C=CC(F)=CC=1)N(CCO)S(C)(=O)=O)C1CC1,7.15,3fql_protein.pt,3fql_pocket.pt,3fql_ligand.pt
3o9a,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(=CC=1)OC,10.7,3o9a_protein.pt,3o9a_pocket.pt,3o9a_ligand.pt
1jgl,CC12CCC3C4C=CC(O)=CC=4CCC3C1CCC2O,8.7,1jgl_protein.pt,1jgl_pocket.pt,1jgl_ligand.pt
5mgf,CCC(=O)C1=CNC(=C1)C(=O)OC,4.27,5mgf_protein.pt,5mgf_pocket.pt,5mgf_ligand.pt
3ctt,OCC1C(O)C(O)C2C(O)C(O)C[NH+]12,6.35,3ctt_protein.pt,3ctt_pocket.pt,3ctt_ligand.pt
5fe6,[NH3+]C1CCN(CC1)C(=O)C1C=C1,2.16,5fe6_protein.pt,5fe6_pocket.pt,5fe6_ligand.pt
2qhy,CC(=O)NC(C)C(=O)NC(CC1C=CC=CC=1)C(O)CN(CC1=CC=CS1)S(=O)(=O)C1=CC(F)=C(F)C=C1F,7.48,2qhy_protein.pt,2qhy_pocket.pt,2qhy_ligand.pt
2j7g,O=C([O-])CC1=CN2C(=N1)C(O)C(O)C(O)C2CO,7.0,2j7g_protein.pt,2j7g_pocket.pt,2j7g_ligand.pt
3tza,[NH3+]C(CC1C=C(Cl)C(=CC=1CCC(=O)[O-])[N+](=O)[O-])C(=O)[O-],5.5,3tza_protein.pt,3tza_pocket.pt,3tza_ligand.pt
5om2,CC1C2=CC=CC(O)=C2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(C3C(O)C21)[NH+](C)C,4.06,5om2_protein.pt,5om2_pocket.pt,5om2_ligand.pt
4ih3,O=C([O-])C1=CC=CC(=N1)C(=O)[O-],4.82,4ih3_protein.pt,4ih3_pocket.pt,4ih3_ligand.pt
5egm,CC1=CC=C2C(=C1)C(C1=NN=NN1)=C1CCC(CN21)(NC(=O)C1=CC=C(C=C1Cl)N1C=NN=C1)C1C=CC=CC=1,8.62,5egm_protein.pt,5egm_pocket.pt,5egm_ligand.pt
4b6p,O=C1C(O)C(O)CC(O)(C(=O)[O-])C1CC1C(F)=C(F)C(F)=C(F)C=1F,7.13,4b6p_protein.pt,4b6p_pocket.pt,4b6p_ligand.pt
5nau,COC1=CC=C2C(=O)C(=CC2=C1)CC1CC[NH+](CC1)CC1C=CC=CC=1,7.52,5nau_protein.pt,5nau_pocket.pt,5nau_ligand.pt
4xu1,NC1N=CN=C2C=1N=CN2C1C[NH2+]CC(COS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)O1,9.49,4xu1_protein.pt,4xu1_pocket.pt,4xu1_ligand.pt
4cp5,CC(CN1C=NC2C1=NC=NC=2N)OCP(=O)(S)O[P](=O)(=O)OP(=O)(=O)=O,3.34,4cp5_protein.pt,4cp5_pocket.pt,4cp5_ligand.pt
4zw5,CC(C)(C)OC(=O)NC(C(=O)NO)C1C=CC(=CC=1)C1C=CC=CC=1,4.43,4zw5_protein.pt,4zw5_pocket.pt,4zw5_ligand.pt
4i74,O=C1NC=NC2C(=CSC=21)C[NH+]1CC(O)C(O)C1CO,6.72,4i74_protein.pt,4i74_pocket.pt,4i74_ligand.pt
4agc,CNC(=O)C1=CC=CC=C1SC1C=CC2C(C=1)=NNC=2C=CC1C=CC=CN=1,10.7,4agc_protein.pt,4agc_pocket.pt,4agc_ligand.pt
2e2p,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.74,2e2p_protein.pt,2e2p_pocket.pt,2e2p_ligand.pt
3vfa,COC1C=CC(=CC=1)S(=O)(=O)N(CC1CCC(=O)N1)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CC2CCOC2C1,9.19,3vfa_protein.pt,3vfa_pocket.pt,3vfa_ligand.pt
4tkj,CCC=CCCCCCCCCCCCC(=O)[O-],6.04,4tkj_protein.pt,4tkj_pocket.pt,4tkj_ligand.pt
5upz,CC1=COC(CN(C)C(=O)C2C=CC=C(C=2)C(=O)NC(CC2C=CC=CC=2)C(O)CN(CC(C)C)S(=O)(=O)C2C=CC(=CC=2)CO)=N1,9.2,5upz_protein.pt,5upz_pocket.pt,5upz_ligand.pt
5i3v,CC1=CC=CN=C1C1C=CC2=NC(N)=C(C=C2C=1)CC(C)C(=O)NCCC(C)(C)C,7.8,5i3v_protein.pt,5i3v_pocket.pt,5i3v_ligand.pt
1msn,CC1=CC=CC=C1CNC(=O)C1N(CSC1(C)C)C(=O)C(O)C(CC1C=CC=CC=1)NC(=O)C1=CC=CC(O)=C1C,9.09,1msn_protein.pt,1msn_pocket.pt,1msn_ligand.pt
1x38,OCC1C(O)C(O)C(O)C2=NC(=CN21)C1C=CC=CC=1,8.77,1x38_protein.pt,1x38_pocket.pt,1x38_ligand.pt
4u71,[NH3+]C(C1CCCCC1)P(=O)(=O)=O,5.22,4u71_protein.pt,4u71_pocket.pt,4u71_ligand.pt
1tcx,CC(C)C(NC(=O)C(CC1C=CC=CC=1)CC(O)C(CC1C=CC=CC=1)NC(=O)OC(C)(C)C)C1=NC=CN1,6.95,1tcx_protein.pt,1tcx_pocket.pt,1tcx_ligand.pt
4o0y,CCNC1=NC2=CC=C(C#CC(C)(C)O)C=C2N1C1N=C(N)N=CN=1,7.22,4o0y_protein.pt,4o0y_pocket.pt,4o0y_ligand.pt
4ll3,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,11.57,4ll3_protein.pt,4ll3_pocket.pt,4ll3_ligand.pt
1sdu,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC=NC=1,10.07,1sdu_protein.pt,1sdu_pocket.pt,1sdu_ligand.pt
2csn,[NH3+]CCNS(=O)(=O)C1=CC=C(Cl)C2=CC=NC=C21,4.41,2csn_protein.pt,2csn_pocket.pt,2csn_ligand.pt
5kr2,CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C(CC1C=CC=CC=1)NC(=O)C(CC(N)=O)NC(=O)C1C=CC2=CC=CC=C2N=1,8.48,5kr2_protein.pt,5kr2_pocket.pt,5kr2_ligand.pt
1qbq,CC(C)=CCCC(C)=CCCC(C)=CC(O)P(=O)(=O)=O,8.3,1qbq_protein.pt,1qbq_pocket.pt,1qbq_ligand.pt
1hbv,COC(=O)C(NC(=O)C(NC(=O)C(C)[NH+]1CCC(=CC(CC2C=CC=CC=2)C1)C(C)NC(=O)C(C)[NH3+])C(C)C)C(C)C,6.37,1hbv_protein.pt,1hbv_pocket.pt,1hbv_ligand.pt
3gcu,CC1C=CC(=CC=1)N1N=C(C=C1NC(=O)NC1=CC=CC(=C1)NC1=NC=NC2=CC=C(N)C=C21)C(C)(C)C,6.78,3gcu_protein.pt,3gcu_pocket.pt,3gcu_ligand.pt
2h21,C[S+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,6.54,2h21_protein.pt,2h21_pocket.pt,2h21_ligand.pt
2b1g,O=C1NS(=O)(=O)NC2=C1N=CN2C1OC(CO)C(O)C1O,6.64,2b1g_protein.pt,2b1g_pocket.pt,2b1g_ligand.pt
1w3j,OCC1O[NH2+]CC(O)C1O,6.32,1w3j_protein.pt,1w3j_pocket.pt,1w3j_ligand.pt
3gx0,[NH3+]C(CCC(=O)NC(CSSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-],3.48,3gx0_protein.pt,3gx0_pocket.pt,3gx0_ligand.pt
1g35,COC(=O)C1C=CC(=CC=1)CN1C(COC2C=CC=CC=2)C(O)C(O)C(COC2C=CC=CC=2)N(CC2C=CC(=CC=2)CO)S1(=O)=O,8.14,1g35_protein.pt,1g35_pocket.pt,1g35_ligand.pt
5eq1,CC1=CC=CC2SC3=NN=CN3C=21,4.68,5eq1_protein.pt,5eq1_pocket.pt,5eq1_ligand.pt
3ljo,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)C1CCCN1C(=O)C[NH2+]C1CCCCC1,6.62,3ljo_protein.pt,3ljo_pocket.pt,3ljo_ligand.pt
4e70,COC1C=C(C=CCO)C=CC=1O,5.28,4e70_protein.pt,4e70_pocket.pt,4e70_ligand.pt
3oyw,OCC1OC(SC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,4.11,3oyw_protein.pt,3oyw_pocket.pt,3oyw_ligand.pt
5edc,O=C([O-])C1C(=NC2C=CC(Cl)=CC=2C=1C1C=CC=CC=1)N1CCCCC1,7.66,5edc_protein.pt,5edc_pocket.pt,5edc_ligand.pt
3buh,[NH3+]CCC1=CC=C(O)C(=C1)C1CCCCC1,3.66,3buh_protein.pt,3buh_pocket.pt,3buh_ligand.pt
3dp9,CCCCSCC1C[NH+](CC2=CNC3C(N)=NC=NC=32)CC1O,9.68,3dp9_protein.pt,3dp9_pocket.pt,3dp9_ligand.pt
6ckw,COC1=CC=CC=C1C([NH3+])CNC1=CC(C)=NC2=NC(=NN12)NC(CC#N)C1C=C(Cl)C=CC=1,9.08,6ckw_protein.pt,6ckw_pocket.pt,6ckw_ligand.pt
2cen,COC(=O)NC(C(=O)N[NH+](CC1C=CC(=CC=1)C1C=CC=NC=1)CC(O)(CC1C=CC=CC=1)C(=O)NC1C2=CC=CC=C2CC1O)C(C)(C)C,8.3,2cen_protein.pt,2cen_pocket.pt,2cen_ligand.pt
2j4g,CCCC1=NC2C(OC(CO)C(O)C2O)S1,6.6,2j4g_protein.pt,2j4g_pocket.pt,2j4g_ligand.pt
3d4z,OCC1C(O)C(O)C(O)C2=NC=CN21,4.89,3d4z_protein.pt,3d4z_pocket.pt,3d4z_ligand.pt
1mrx,CC1C(=CC=CC=1O)C(=O)NC(CC1C=CC=CC=1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NC(C)(C)C,7.26,1mrx_protein.pt,1mrx_pocket.pt,1mrx_ligand.pt
4bb9,O=P(=O)(=O)OCC1(O)OCC(O)C(O)C1O,6.0,4bb9_protein.pt,4bb9_pocket.pt,4bb9_ligand.pt
5d3c,NC(=O)C(CCC(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)C(CC(=O)NO)CC1=CC(=NO1)C1C=CC(=CC=1)C1C=CC=C(Cl)C=1,10.4,5d3c_protein.pt,5d3c_pocket.pt,5d3c_ligand.pt
2h4n,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,8.7,2h4n_protein.pt,2h4n_pocket.pt,2h4n_ligand.pt
3p3t,CC1=NNC(C)=C1CCCOC1=CC=CC=C1F,7.24,3p3t_protein.pt,3p3t_pocket.pt,3p3t_ligand.pt
2wor,O=S(=O)([O-])C1=CC=CC2C=CC=C(NC3C=CC=CC=3)C=21,3.9,2wor_protein.pt,2wor_pocket.pt,2wor_ligand.pt
2yhw,CC(=O)NC1C(O)OC(CO)C(O)C1O,5.6,2yhw_protein.pt,2yhw_pocket.pt,2yhw_ligand.pt
5g2b,COC1=CC=C(C=C1C1C=CC(=CC=1)C(=O)NCC(N)=O)C1=NN(C(=O)C2CC=CCC12)C1CCCCCC1,7.0,5g2b_protein.pt,5g2b_pocket.pt,5g2b_ligand.pt
2f35,[NH3+]C(CN1C=CC(=O)N(CC2=CC=CC=C2C(=O)[O-])C1=O)C(=O)[O-],5.4,2f35_protein.pt,2f35_pocket.pt,2f35_ligand.pt
4en4,COCC1=C(C=NC(C)=C1O)CO,5.52,4en4_protein.pt,4en4_pocket.pt,4en4_ligand.pt
3f5k,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,4.62,3f5k_protein.pt,3f5k_pocket.pt,3f5k_ligand.pt
2xb7,COC1=CC(=CC=C1NC1N=CC(Cl)=C(N=1)NC1C=CC=CC=1S(=O)(=O)C(C)C)N1CCC(CC1)[NH+]1CC[NH+](C)CC1,9.19,2xb7_protein.pt,2xb7_pocket.pt,2xb7_ligand.pt
3tsk,NC(=O)CCC(NC(=O)CCC1C=CC(=CC=1)C1=CC(=CS1)C1C=CC=CC=1)C(=O)NC(CCC(=O)[O-])C(N)=O,7.17,3tsk_protein.pt,3tsk_pocket.pt,3tsk_ligand.pt
1fd0,CC1(C)CCC(C)(C)C2C=C(C=CC=21)C(=NO)C1C=CC2C=C(C=CC=2C=1)C(=O)[O-],8.4,1fd0_protein.pt,1fd0_pocket.pt,1fd0_ligand.pt
3sur,CC1=NC2C(OC(CO)C(O)C2O)S1,4.15,3sur_protein.pt,3sur_pocket.pt,3sur_ligand.pt
1hos,CC(C)C(NC(=O)OCC1C=CC=CC=1)C(=O)NC(CC1C=CC=CC=1)[P](=O)(=O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)OCC1C=CC=CC=1)C(C)C,8.55,1hos_protein.pt,1hos_pocket.pt,1hos_ligand.pt
2wer,CC1CC2OC2C=CC=CC(=O)CC2C(Cl)=C(O)C=C(O)C=2C(=O)O1,7.05,2wer_protein.pt,2wer_pocket.pt,2wer_ligand.pt
5i2f,CC(=O)NS(=O)(=O)NCC1OC(C(O)C1O)N1C=NC2C1=NC=NC=2N,6.49,5i2f_protein.pt,5i2f_pocket.pt,5i2f_ligand.pt
2d1n,NC(=[NH2+])NCC1C=CC=CC=1CCCCCCCCCC(=O)NC(CCCC[NH3+])C(=O)NO,8.15,2d1n_protein.pt,2d1n_pocket.pt,2d1n_ligand.pt
1qb6,CC1C(F)=C(N=C(OC2=CC=CC(=C2)[C+](=N)=N)C=1F)OC1C=CC=C(C=1)[C+](=N)=N,6.06,1qb6_protein.pt,1qb6_pocket.pt,1qb6_ligand.pt
5kqx,CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C(CC1C=CC=CC=1)NC(=O)C(CC(N)=O)NC(=O)C1C=CC2=CC=CC=C2N=1,8.44,5kqx_protein.pt,5kqx_pocket.pt,5kqx_ligand.pt
1ucn,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.22,1ucn_protein.pt,1ucn_pocket.pt,1ucn_ligand.pt
5csp,CC1C=CC(O)=C(C=1)C(=O)[O-],4.24,5csp_protein.pt,5csp_pocket.pt,5csp_ligand.pt
4ljh,CN1C=C(OC2OC(CO)C(O)C(O)C2O)C2=CC=CC=C21,4.71,4ljh_protein.pt,4ljh_pocket.pt,4ljh_ligand.pt
1cbx,O=C([O-])CC(CC1C=CC=CC=1)C(=O)[O-],6.35,1cbx_protein.pt,1cbx_pocket.pt,1cbx_ligand.pt
4wn5,CCCCCCC=CCCCCCCCCCC(=O)OCC(O)CO,7.41,4wn5_protein.pt,4wn5_pocket.pt,4wn5_ligand.pt
4xar,[NH3+]C1(CCC2C(C(=O)[O-])C21)C(=O)[O-],6.97,4xar_protein.pt,4xar_pocket.pt,4xar_ligand.pt
1qxk,COC(=O)C1C(=CC=CC=1O)OCCCCNC(=O)C(CC1C=CC(OCC(=O)[O-])=C(O)C=1)NC(C)=O,5.05,1qxk_protein.pt,1qxk_pocket.pt,1qxk_ligand.pt
4yml,CSCC1C[NH+](CC2=CNC3C2=NC=NC=3N)CC1O,8.35,4yml_protein.pt,4yml_pocket.pt,4yml_ligand.pt
3f33,CC(C)C1=CC=CC(=C1O)C(C)C,3.34,3f33_protein.pt,3f33_pocket.pt,3f33_ligand.pt
3rv8,O=C([O-])C(=CC1C=C1)OC1C=CC=C(C(=O)[O-])C1=O,4.92,3rv8_protein.pt,3rv8_pocket.pt,3rv8_ligand.pt
3mf5,CC1CCC(CC1)C1=CC=CC=C1C1C=C(SC=1C(=O)[O-])C1C=CC=CC=1,5.36,3mf5_protein.pt,3mf5_pocket.pt,3mf5_ligand.pt
5kva,C[S+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,5.14,5kva_protein.pt,5kva_pocket.pt,5kva_ligand.pt
5ndf,O=C1C=C(CC=C1O)C1=CC(=O)C2C(O)=CC(O)=CC=2O1,5.85,5ndf_protein.pt,5ndf_pocket.pt,5ndf_ligand.pt
2a4m,[NH3+]C(CC1=CNC2C=CC=CC=21)C(=O)[O-],4.52,2a4m_protein.pt,2a4m_pocket.pt,2a4m_ligand.pt
1onz,O=C([O-])C(=O)N(C1=CC=CC=C1C(=O)[O-])C1=CC=CC2C=CC(O)=CC=21,5.1,1onz_protein.pt,1onz_pocket.pt,1onz_ligand.pt
3r4m,COC1=CC=CC=C1C1=CC(Cl)=NC(N)=N1,5.92,3r4m_protein.pt,3r4m_pocket.pt,3r4m_ligand.pt
2r5p,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC=NC=1,8.48,2r5p_protein.pt,2r5p_pocket.pt,2r5p_ligand.pt
3d78,CCCCNS(=O)(=O)C1C=CC=CC=1,7.64,3d78_protein.pt,3d78_pocket.pt,3d78_ligand.pt
1ssq,[NH3+]C(CS)C(=O)[O-],6.0,1ssq_protein.pt,1ssq_pocket.pt,1ssq_ligand.pt
4xmb,COC1C=CC(=CC=1)S(=O)(=O)N(CC(N)=O)C1=CC=C(C2C=CC=CC=21)N(CC(N)=O)S(=O)(=O)C1C=CC(=CC=1)OC,7.36,4xmb_protein.pt,4xmb_pocket.pt,4xmb_ligand.pt
1k1j,COC(=O)C1CCN(CC1)C(=O)C(CC1C=CC=C(C=1)[C+](=N)=N)NS(=O)(=O)C1C=C2C=CC=CC2=CC=1,7.55,1k1j_protein.pt,1k1j_pocket.pt,1k1j_ligand.pt
3hig,N=[C+](=N)C1C=CC(=CC=1)N=NNC1C=CC(=CC=1)[C+](=N)=N,7.89,3hig_protein.pt,3hig_pocket.pt,3hig_ligand.pt
3v5p,COC1C=CC(=CC=1C)C1=NN(CC2CC[NH2+]CC2)C2=NC=NC(N)=C12,8.96,3v5p_protein.pt,3v5p_pocket.pt,3v5p_ligand.pt
1usn,CNC(=O)C(CC1C(F)=C(F)C(F)=C(F)C=1F)NC(=O)NC1=NN=C(S)S1,7.74,1usn_protein.pt,1usn_pocket.pt,1usn_ligand.pt
5fl6,CC1C=CC(=CC=1)N1C=C(N=N1)C1=CC=C(S1)S(N)(=O)=O,7.36,5fl6_protein.pt,5fl6_pocket.pt,5fl6_ligand.pt
3ijh,CCCOC1(OC(C(O)CO)C(O)C(O)C1O)C(=O)[O-],4.0,3ijh_protein.pt,3ijh_pocket.pt,3ijh_ligand.pt
3q44,CC(C)CC(NC(=O)C(O)C([NH3+])CC1C=CC(=CC=1)OCC1C=CC=CC=1)C(=O)[O-],6.31,3q44_protein.pt,3q44_pocket.pt,3q44_ligand.pt
3tfp,O=C([O-])C1=CC=CC=C1C(=O)NCC1C(=CC=CC=1Cl)SC1C=CC(Cl)=CC=1Cl,6.47,3tfp_protein.pt,3tfp_pocket.pt,3tfp_ligand.pt
4eoh,CN1C(=O)C2NC=NC=2N(C)C1=O,4.3,4eoh_protein.pt,4eoh_pocket.pt,4eoh_ligand.pt
2hzl,CC(=O)C(=O)[O-],6.57,2hzl_protein.pt,2hzl_pocket.pt,2hzl_ligand.pt
4i7k,CC1C=CC=CC=1,3.04,4i7k_protein.pt,4i7k_pocket.pt,4i7k_ligand.pt
5dnu,CC1C(=O)OC2=COCC=C21,4.11,5dnu_protein.pt,5dnu_pocket.pt,5dnu_ligand.pt
1m2x,CC(CS)C(=O)N1CCCC1C(=O)[O-],4.15,1m2x_protein.pt,1m2x_pocket.pt,1m2x_ligand.pt
1e3g,CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=CC21C,9.0,1e3g_protein.pt,1e3g_pocket.pt,1e3g_ligand.pt
3ed0,CC1=CC(O)=C2C(=O)C3C(O)=CC(O)=CC=3C(=O)C2=C1,6.35,3ed0_protein.pt,3ed0_pocket.pt,3ed0_ligand.pt
2uy0,COC(=O)NC(C(=O)NN(CC1C=CC(Br)=CC=1)C(=O)CCC(O)(CC1C=CC=CC=1)C(=O)NC1C2=CC=CC=C2CC1O)C(C)(C)C,6.92,2uy0_protein.pt,2uy0_pocket.pt,2uy0_ligand.pt
3vd4,CC(C)SC1OC(CO)C(O)C(O)C1O,4.82,3vd4_protein.pt,3vd4_pocket.pt,3vd4_ligand.pt
2a5b,NC1=NC2=C(NC(=O)N2C2CC(O)C(CO)O2)C(=O)N1,3.93,2a5b_protein.pt,2a5b_pocket.pt,2a5b_ligand.pt
4aj4,C=CCSC1=NC2C=CC(=CC=2S1)NC(=O)CCC(=O)[O-],3.89,4aj4_protein.pt,4aj4_pocket.pt,4aj4_ligand.pt
2gvv,NP(=O)(OC1CCCC1)OC1CCCC1,3.9,2gvv_protein.pt,2gvv_pocket.pt,2gvv_ligand.pt
3d9z,NS(=O)(=O)C1=NN=C(S1)C1=CC=CC=C1Cl,8.7,3d9z_protein.pt,3d9z_pocket.pt,3d9z_ligand.pt
1s19,C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)C=CC(O)C2CC2)CC(O)CC1O,9.51,1s19_protein.pt,1s19_pocket.pt,1s19_ligand.pt
2e91,O=P(=O)(=O)C(O)(CN1C=CN=C1)P(=O)(=O)=O,6.59,2e91_protein.pt,2e91_pocket.pt,2e91_ligand.pt
2oxy,BrC1C(Br)=C(Br)C2NC=NC=2C=1Br,6.52,2oxy_protein.pt,2oxy_pocket.pt,2oxy_ligand.pt
2qrk,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,4.26,2qrk_protein.pt,2qrk_pocket.pt,2qrk_ligand.pt
3coy,CC(C)(C)C([NH3+])C(=O)NS(=O)(=O)OCC1OC(C(O)C1O)N1C=NC2C1=NC=NC=2N,6.02,3coy_protein.pt,3coy_pocket.pt,3coy_ligand.pt
1q1g,CSCC1[NH2+]C(C2=CNC3C(=O)NC=NC=32)C(O)C1O,8.57,1q1g_protein.pt,1q1g_pocket.pt,1q1g_ligand.pt
4omj,CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCC1OC1(C)C,5.26,4omj_protein.pt,4omj_pocket.pt,4omj_ligand.pt
3cdb,CC(C)C1=C(C(C2C=CC(F)=CC=2)=C(C2C=CC(F)=CC=2)N1CCC(O)CC(O)CC(=O)[O-])S(=O)(=O)NC1C=CC(=CC=1)C(N)=O,7.02,3cdb_protein.pt,3cdb_pocket.pt,3cdb_ligand.pt
4w9j,CC(=O)NC(CC(C)C)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCC1C=CC(=CC=1)C1SC=NC=1C)C(C)(C)C,6.23,4w9j_protein.pt,4w9j_pocket.pt,4w9j_ligand.pt
5his,CC1C=CSC=1C(=O)[O-],4.71,5his_protein.pt,5his_pocket.pt,5his_ligand.pt
1n3i,O=C1NC=NC2C(=CNC=21)C[NH+]1CC(O)C(CO)C1,8.89,1n3i_protein.pt,1n3i_pocket.pt,1n3i_ligand.pt
4lyw,CCC1=C(NC(C)=C1C(C)=O)C(=O)NC1=CC(=CC=C1O)S(=O)(=O)N(CC)CC,6.63,4lyw_protein.pt,4lyw_pocket.pt,4lyw_ligand.pt
3u6h,COC1=CC2=NC=CC(OC3C=CC(=CC=3F)NC(=O)C3C(=O)N(C4C=CC=CC=4)[N+](C)=C3C)=C2C=C1OC,9.0,3u6h_protein.pt,3u6h_pocket.pt,3u6h_ligand.pt
5gs9,NC(=[NH2+])NCCCC([NH3+])C(=O)[O-],5.26,5gs9_protein.pt,5gs9_pocket.pt,5gs9_ligand.pt
5f08,CC1C=CC(=CC=1)N1CCC(CCC(=O)N2CCCC2)CC1,5.52,5f08_protein.pt,5f08_pocket.pt,5f08_ligand.pt
4a6c,COC(=O)NC(C(=O)N[NH+](CCCC1(CC2C=CC=CC=2)C(=O)N(CC1O)C1C2C=CC=CC=2CC1O)CC1C=CC(=CC=1)C1C=CN=CC=1)C(C)(C)C,7.92,4a6c_protein.pt,4a6c_pocket.pt,4a6c_ligand.pt
5lwd,CC(C)CC(N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1)C(=O)NCC(N)=O,6.24,5lwd_protein.pt,5lwd_pocket.pt,5lwd_ligand.pt
6czc,CC1=CN(C(=O)NC1=O)C1CC(O)C(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)O1,4.78,6czc_protein.pt,6czc_pocket.pt,6czc_ligand.pt
2rin,CC(=O)OCC[N+](C)(C)C,4.0,2rin_protein.pt,2rin_pocket.pt,2rin_ligand.pt
2e2r,CC(C)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,8.26,2e2r_protein.pt,2e2r_pocket.pt,2e2r_ligand.pt
1aid,OC1(CC[NH+](CCCC2(SCCS2)C2C=CC(F)=CC=2)CC1)C1C=CC(Cl)=CC=1,4.82,1aid_protein.pt,1aid_pocket.pt,1aid_ligand.pt
3t1a,[NH3+]CC1C=C(Cl)C=C(OC2C(Cl)=CC=C3C=2N=NN3CC2NN=C3N=CC=CC=23)C=1Cl,8.37,3t1a_protein.pt,3t1a_pocket.pt,3t1a_ligand.pt
3dx3,[NH3+]C1C(O)C(O)C(O)C1O,6.52,3dx3_protein.pt,3dx3_pocket.pt,3dx3_ligand.pt
3cke,CC(=CCCC(C)=CCO[P](=O)(=O)OP(=O)(=O)=O)CCC=C(CF)CF,6.1,3cke_protein.pt,3cke_pocket.pt,3cke_ligand.pt
3uxk,O=C(NO)C1C=CC=CC=1,4.93,3uxk_protein.pt,3uxk_pocket.pt,3uxk_ligand.pt
4fxq,O=C(CC[NH+]1CCCCC1)N1CCC2=NC(O)=C3C=C(F)C=CC3=C2C1,5.77,4fxq_protein.pt,4fxq_pocket.pt,4fxq_ligand.pt
4cig,COC1C=CC(=CC=1)CNC(=O)C1C=C2C=CC=CC2=CC=1C[NH+](C)CC1C=CC=C(OC)C=1C(=O)[O-],3.67,4cig_protein.pt,4cig_pocket.pt,4cig_ligand.pt
1cet,CC[NH+](CC)CCCC(C)NC1C=CN=C2C=C(Cl)C=CC=12,2.89,1cet_protein.pt,1cet_pocket.pt,1cet_ligand.pt
5eh8,COC1C=CC(=CC=1)C(C)=CC(=O)[O-],3.1,5eh8_protein.pt,5eh8_pocket.pt,5eh8_ligand.pt
1ql9,O=C(C1CCN(CC1)C1C=CN=CC=1)N1CCN(CC1)S(=O)(=O)C1C=CC2C=C(Cl)C=CC=2C=1,5.35,1ql9_protein.pt,1ql9_pocket.pt,1ql9_ligand.pt
5os5,OC1C=CC(=CC=1)SC1C=CC(O)=CC=1,3.39,5os5_protein.pt,5os5_pocket.pt,5os5_ligand.pt
1hpv,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,9.22,1hpv_protein.pt,1hpv_pocket.pt,1hpv_ligand.pt
4ngn,O=CNCCCCC(NC(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-],7.55,4ngn_protein.pt,4ngn_pocket.pt,4ngn_ligand.pt
2i3i,C[NH2+]C(C)C(=O)NC1CCCC2SC(C)(C)C(C(=O)NC3=CC(C)=NN3C3C=CC=CC=3)N2C1=O,7.3,2i3i_protein.pt,2i3i_pocket.pt,2i3i_ligand.pt
3n3j,CC(C)C1C=CC=CC=1NC(=O)NC1C=CC(=CC=1)S(N)(=O)=O,8.48,3n3j_protein.pt,3n3j_pocket.pt,3n3j_ligand.pt
1uto,[NH3+]CCC1C=CC=CC=1,2.27,1uto_protein.pt,1uto_pocket.pt,1uto_ligand.pt
6fnj,CC1C=CC(=CC=1NC1=NC(=NC2=NN(C)C=C21)C1C=NC=CC=1)C(=O)NC1=CC=CC(=C1)C(F)(F)F,6.85,6fnj_protein.pt,6fnj_pocket.pt,6fnj_ligand.pt
1e6q,OCC1C(O)C(O)C(O)C2N=NN[N+]=21,3.15,1e6q_protein.pt,1e6q_pocket.pt,1e6q_ligand.pt
1bnw,NS(=O)(=O)C1=CC=C(S1)S(=O)(=O)NCC1=CC=CS1,9.08,1bnw_protein.pt,1bnw_pocket.pt,1bnw_ligand.pt
4x5p,O=C([O-])C1C=CC(=CC=1)C(=O)NC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(Cl)=C1,8.21,4x5p_protein.pt,4x5p_pocket.pt,4x5p_ligand.pt
2afw,CC(=O)NCCC1=CNC=N1,4.77,2afw_protein.pt,2afw_pocket.pt,2afw_ligand.pt
1ppc,N=[C+](=N)C1C=CC(=CC=1)CC(NC(=O)CNS(=O)(=O)C1C=C2C=CC=CC2=CC=1)C(=O)N1CCCCC1,6.16,1ppc_protein.pt,1ppc_pocket.pt,1ppc_ligand.pt
3znr,O=C(NCC1(CCOCC1)[C]1NC(=CS1)C1C=CC=CC=1)C1C=CC=C(C=1)C1=NOC(=N1)C(F)(F)F,7.44,3znr_protein.pt,3znr_pocket.pt,3znr_ligand.pt
4o61,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-],4.3,4o61_protein.pt,4o61_pocket.pt,4o61_ligand.pt
5exw,NC1=NC=NC2=C1C=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.82,5exw_protein.pt,5exw_pocket.pt,5exw_ligand.pt
1gj6,N=[C+](=N)C1=CC2C=C(NC=2C=C1Cl)C1=CC=CC(C2C=CC=CC=2)=C1O,7.0,1gj6_protein.pt,1gj6_pocket.pt,1gj6_ligand.pt
3suw,CC(=O)NC1C[NH+]2CCC(O)C2C(O)C1O,4.7,3suw_protein.pt,3suw_pocket.pt,3suw_ligand.pt
5tuo,NC1=NN=C(S1)S(N)(=O)=O,6.49,5tuo_protein.pt,5tuo_pocket.pt,5tuo_ligand.pt
4b9k,CC1N=CSC=1C1C=CC(=CC=1)CNC(=O)C1CC(O)CN1C(=O)C1=CC=CC(N)=C1C,6.17,4b9k_protein.pt,4b9k_pocket.pt,4b9k_ligand.pt
3lp7,[NH2+]=C(NO)NCCCC([NH3+])C(=O)[O-],5.44,3lp7_protein.pt,3lp7_pocket.pt,3lp7_ligand.pt
3hit,COC1C(O[P](=O)(=O)OCCCCO)C(CO[P](=O)(=O)OC2C[NH+](CC3=CNC4C3=NC=NC=4N)CC2CO[P](=O)(=O)OCCCO)OC1N1C=NC2C(=O)N[C+](=N)NC=21,8.19,3hit_protein.pt,3hit_pocket.pt,3hit_ligand.pt
2wl0,COC(=O)NC(C(=O)N[NH+](CCC(O)(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC(=CC=1)C1=CC=CC=N1)C(C)(C)C,7.8,2wl0_protein.pt,2wl0_pocket.pt,2wl0_ligand.pt
4jn2,CN1C2=CC=C(C=C2N=C1CNC1C=CC(=CC=1)C(N)=[NH2+])C(=O)N(CCC(=O)[O-])C1=CC=CC=N1,11.68,4jn2_protein.pt,4jn2_pocket.pt,4jn2_ligand.pt
6h36,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CCC(CC1)C1C=CC=CC=1,9.35,6h36_protein.pt,6h36_pocket.pt,6h36_ligand.pt
4rrg,CC(O)C([NH3+])C(=O)NC1C(CO)OC(C1O)N1C=NC2C1=NC=NC=2N,2.81,4rrg_protein.pt,4rrg_pocket.pt,4rrg_ligand.pt
2r75,N=[C+]1NC(=O)C2N=C(N3CCOCC3)N(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.15,2r75_protein.pt,2r75_pocket.pt,2r75_ligand.pt
3bra,[NH3+]CCC1C=CC(O)=CC=1,2.7,3bra_protein.pt,3bra_pocket.pt,3bra_ligand.pt
4djp,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OCC(C)C(=O)OC)S(=O)(=O)C1C=CC(=CC=1)OC,10.55,4djp_protein.pt,4djp_pocket.pt,4djp_ligand.pt
5uxf,NC1=NC=NC2=C1N=CN2C1OC2CO[P](=O)(=O)OC3C(CO[P](=O)(=O)OC2C1O)OC(C3O)N1C=NC2C(N)=NC=NC=21,7.06,5uxf_protein.pt,5uxf_pocket.pt,5uxf_ligand.pt
5os7,CC(C)C1=CC=CC=C1C1=CC=C(C=C1Cl)C[NH3+],3.69,5os7_protein.pt,5os7_pocket.pt,5os7_ligand.pt
5aml,CC#CCNS(=O)(=O)C1C=C(C=CC=1C(=O)[O-])S(N)(=O)=O,9.15,5aml_protein.pt,5aml_pocket.pt,5aml_ligand.pt
2brm,OCCNC1=NC=NC2NC(C3C=CC=CC=3)=C(C3C=CC=CC=3)C=21,5.89,2brm_protein.pt,2brm_pocket.pt,2brm_ligand.pt
4rlu,O=C(C=CC1C=CC(O)=CC=1)C1=CC=C(O)C=C1O,4.82,4rlu_protein.pt,4rlu_pocket.pt,4rlu_ligand.pt
5g5f,[NH3+]C(CCC(=O)NC(CS)C(=O)NCC(=O)[O-])C(=O)[O-],5.28,5g5f_protein.pt,5g5f_pocket.pt,5g5f_ligand.pt
185l,C1=CC=C2NC=CC2=C1,3.54,185l_protein.pt,185l_pocket.pt,185l_ligand.pt
3b4f,NS(=O)(=O)C1C=C2C(=CC=1)NC(C(=O)N[NH3+])=C2C1C=CC=CC=1,8.14,3b4f_protein.pt,3b4f_pocket.pt,3b4f_ligand.pt
2fu8,CC(CS)C(=O)N1CCCC1C(=O)[O-],4.7,2fu8_protein.pt,2fu8_pocket.pt,2fu8_ligand.pt
3gr2,CCC1C(=O)N(N=C1C)C1=NN=NN1,2.52,3gr2_protein.pt,3gr2_pocket.pt,3gr2_ligand.pt
4mhy,COC1C=CC(=CC=1OC)NC(S)=NCCCN1C=CN=C1,6.47,4mhy_protein.pt,4mhy_pocket.pt,4mhy_ligand.pt
5fho,[NH3+]C(CC1C(=O)NOC=1C1N=NN(CC2C=CC=C(Cl)C=2)N=1)C(=O)[O-],6.67,5fho_protein.pt,5fho_pocket.pt,5fho_ligand.pt
2vo5,OCC1CC2C(O)C(O)C1(O)C[NH+]2CC1C=CC=CC=1,4.89,2vo5_protein.pt,2vo5_pocket.pt,2vo5_ligand.pt
3mi2,NC(=O)C1NN=C(C=1O)C1OC(COP(=O)(=O)=O)C(O)C1O,7.77,3mi2_protein.pt,3mi2_pocket.pt,3mi2_ligand.pt
5mo8,O=C(CC(=O)NC1=CC=CC(=C1)C(=O)[O-])NCCC[NH2+]CC1C=CC(C2C=CC=CC=2)=C(Cl)C=1,5.79,5mo8_protein.pt,5mo8_pocket.pt,5mo8_ligand.pt
3su6,CCC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(C)(C)CCCCC1C=CC=C3CN(CC=13)C(=O)O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1,6.02,3su6_protein.pt,3su6_pocket.pt,3su6_ligand.pt
6eiz,CC(C)=CCCC(C)=CCCC(C)=CCO,6.22,6eiz_protein.pt,6eiz_pocket.pt,6eiz_ligand.pt
4x50,OCC1OC(OC2C=CC(=CC=2)C2C=CC=CC=2)C(O)C(O)C1O,7.75,4x50_protein.pt,4x50_pocket.pt,4x50_ligand.pt
5vd2,CC(=O)NCC(=O)N1C2CCC1C1C=C(C=CC=12)NC1=NC=C(C(=N1)NC1CCC1)C(F)(F)F,7.1,5vd2_protein.pt,5vd2_pocket.pt,5vd2_ligand.pt
2yz3,O=C([O-])C(CS)CCCC1C=CC=CC=1,6.66,2yz3_protein.pt,2yz3_pocket.pt,2yz3_ligand.pt
4q3u,[NH2+]=C(NO)NCCC([NH3+])C(=O)[O-],6.44,4q3u_protein.pt,4q3u_pocket.pt,4q3u_ligand.pt
3ppr,CC1[NH2+]CCC([NH2+]1)C(=O)[O-],2.82,3ppr_protein.pt,3ppr_pocket.pt,3ppr_ligand.pt
1fkh,CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC1C=CC=CC=1)C1CCCCC1,8.15,1fkh_protein.pt,1fkh_pocket.pt,1fkh_ligand.pt
5nka,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)NC2CCC(CC2)C(=O)[O-])S1,5.46,5nka_protein.pt,5nka_pocket.pt,5nka_ligand.pt
3t84,CC(=O)OC1C(COS(N)(=O)=O)OC(O)C(O)C1O,6.97,3t84_protein.pt,3t84_pocket.pt,3t84_ligand.pt
5cau,COC1CCN(CC1F)C1N=CC=C(N=1)NC1C=C2C(=CN=1)N=C(C(C)O)N2C(C)C(F)(F)F,8.8,5cau_protein.pt,5cau_pocket.pt,5cau_ligand.pt
6cpw,CSC1(CC[NH+](CC(=O)N2CCN(CC2)C2C=CC(=CC=2)C2N=CC=CN=2)C1)C(=O)NC1C=CC2NN=C(C3C=CC(F)=CC=3)C=2C=1,8.25,6cpw_protein.pt,6cpw_pocket.pt,6cpw_ligand.pt
1zgi,FC(F)(CNC1N=CC=C2OC(CC3=CC=CC=C3N3C=NC=N3)=NC=12)C1CCCC[NH2+]1,5.34,1zgi_protein.pt,1zgi_pocket.pt,1zgi_ligand.pt
3rdo,O=C([O-])CCCCC1SCC2NC(=O)NC21,9.85,3rdo_protein.pt,3rdo_pocket.pt,3rdo_ligand.pt
5vgy,COC1C=CC(CC2(O)NC(=S)NC2=O)=C(C=1)OC,4.18,5vgy_protein.pt,5vgy_pocket.pt,5vgy_ligand.pt
1s38,CC1=CC=CC2C(=O)NC(N)=NC=21,5.15,1s38_protein.pt,1s38_pocket.pt,1s38_ligand.pt
5otc,[NH3+]CCCC([NH2+]CC(=O)[O-])C(=O)[O-],4.71,5otc_protein.pt,5otc_pocket.pt,5otc_ligand.pt
4xk9,C=CC1=CC2C3OC4(CC5CCCC6(CCC7(OC(CCC7(C)O)CC(=C)CCCC7=NCC(C)C(C)CC72CC1)O6)O5)CC(C)C(O)C3O4,9.07,4xk9_protein.pt,4xk9_pocket.pt,4xk9_ligand.pt
6ma3,O=C([O-])CCCOC1C=CC=CC=1C(NS(=O)(=O)C1C=CC2NC(=O)C=CC=2C=1)C(=O)N(CC(=O)[O-])CC1=CC=CS1,8.3,6ma3_protein.pt,6ma3_pocket.pt,6ma3_ligand.pt
2zwz,CC1[NH2+]C(C[NH3+])C(O)C(O)C1O,7.79,2zwz_protein.pt,2zwz_pocket.pt,2zwz_ligand.pt
2y82,O=C1C(CCN1C1C=CC(=CC=1F)C1CCC[NH2+]1)NS(=O)(=O)C1C=C2C=CC(Cl)=CC2=CC=1,8.4,2y82_protein.pt,2y82_pocket.pt,2y82_ligand.pt
4j21,CC1=CC(=O)NC2C=C(C=CC=21)C1C=CC(N)=CC=1Cl,7.41,4j21_protein.pt,4j21_pocket.pt,4j21_ligand.pt
2vqt,[NH3+]CCN=C1NC(CO)C(O)C(O)C1O,6.0,2vqt_protein.pt,2vqt_pocket.pt,2vqt_ligand.pt
2buv,O=C([O-])C1C=CC(O)=C(O)C=1,4.0,2buv_protein.pt,2buv_pocket.pt,2buv_ligand.pt
1nm6,O=C1CN2C(=O)C(=NC=C2Cl)NC(C[NH2+]CCC[NH2+]CCC2C=CC=CC=2CN1)CC1C=CC=CC=1,10.05,1nm6_protein.pt,1nm6_pocket.pt,1nm6_ligand.pt
3k4d,O=C1NC(C(=O)[O-])C(O)C(O)C1O,5.11,3k4d_protein.pt,3k4d_pocket.pt,3k4d_ligand.pt
6eir,CCC(=O)NC1C=CC(=CC=1)C(=O)C1SC(=NC=1N)NC1C=CC(=CC=1OC)N1CC[NH+](C)CC1,6.24,6eir_protein.pt,6eir_pocket.pt,6eir_ligand.pt
5ekm,CCCC[NH2+]CC(=O)NC1C=CC(=CC=1)S(N)(=O)=O,6.32,5ekm_protein.pt,5ekm_pocket.pt,5ekm_ligand.pt
3isj,COC1C=CC2NC(=CC=2C=1)C(=O)NS(C)(=O)=O,3.68,3isj_protein.pt,3isj_pocket.pt,3isj_ligand.pt
3aaq,CCN(CC)C1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)C(Br)(Br)P(=O)(=O)=O)C(O)C1O,3.3,3aaq_protein.pt,3aaq_pocket.pt,3aaq_ligand.pt
3zi8,CC1OCC(O)C(O)C1O,5.66,3zi8_protein.pt,3zi8_pocket.pt,3zi8_ligand.pt
4oma,CC1=NC=C(COP(=O)(=O)=O)C(CNC2=CONC2=O)=C1O,4.17,4oma_protein.pt,4oma_pocket.pt,4oma_ligand.pt
5fsn,CC1C=C(N=C(N)N=1)OCCCO,5.77,5fsn_protein.pt,5fsn_pocket.pt,5fsn_ligand.pt
1ikt,COCCOCCOCCOC1C=CC(=CC=1)C(C)(C)CC(C)(C)C,3.4,1ikt_protein.pt,1ikt_pocket.pt,1ikt_ligand.pt
2fxu,CC=CC(=O)CC1CCC(C)C(CC(=O)NCC(O)C(C)C(=O)NCCCC2OC3(CCCC(CCC(C)C=C(C)C(C)O)O3)CCC2C)O1,8.15,2fxu_protein.pt,2fxu_pocket.pt,2fxu_ligand.pt
5mg2,CC1C=C2C(=CC=1N1C(=O)C3=CC=C(CCCO)C4=CC=CC(C1=O)=C34)N(C)C(=O)N2C,7.77,5mg2_protein.pt,5mg2_pocket.pt,5mg2_ligand.pt
3u90,CCCCCCCCCCCCOS(=O)(=O)[O-],4.62,3u90_protein.pt,3u90_pocket.pt,3u90_ligand.pt
3u8n,CCOC1=CC(=CN=C1Br)N1CCC[NH2+]CC1,10.17,3u8n_protein.pt,3u8n_pocket.pt,3u8n_ligand.pt
4bt3,CC(O)C(C)(O)C(=O)[O-],3.12,4bt3_protein.pt,4bt3_pocket.pt,4bt3_ligand.pt
4fev,CC1C=CC(=CC=1)C1=NN(C2=NC=NC(N)=C12)C(C)(C)C,5.42,4fev_protein.pt,4fev_pocket.pt,4fev_ligand.pt
4o9v,N=[C+](=N)C1C=CC(=CC=1)OC1=CC(=CC(=C1)C(=O)NC1CCC([NH3+])CC1)OC1C=CC(=CC=1)[C+](=N)=N,8.0,4o9v_protein.pt,4o9v_pocket.pt,4o9v_ligand.pt
5ose,CCSC1=NN=C(NC(=O)OC)S1,3.17,5ose_protein.pt,5ose_pocket.pt,5ose_ligand.pt
2cc7,CC1=CC2=NC3NC(=O)NC(=O)C=3N=C2C=C1C,8.01,2cc7_protein.pt,2cc7_pocket.pt,2cc7_ligand.pt
5wyx,CC1C=CC=C(C=1)C1=CC=NC2=C(C=NN12)C(N)=O,6.66,5wyx_protein.pt,5wyx_pocket.pt,5wyx_ligand.pt
4ujb,O=C1NCNC2C=C(C=CC=21)C1C[NH2+]CC1C(=O)C1C=CC=C(F)C=1,8.0,4ujb_protein.pt,4ujb_pocket.pt,4ujb_ligand.pt
4w52,C1=CC=CC=C1,3.76,4w52_protein.pt,4w52_pocket.pt,4w52_ligand.pt
5llc,CNC1=C(F)C(=C(F)C(F)=C1S(=O)(=O)CCC1C=CC=CC=1)S(N)(=O)=O,9.52,5llc_protein.pt,5llc_pocket.pt,5llc_ligand.pt
2yme,CN1N=C(C(=O)NC2CC3CCCC(C2)[NH+]3C)C2C=CC=CC=21,7.66,2yme_protein.pt,2yme_pocket.pt,2yme_ligand.pt
1q8w,O=S(=O)(C1=CC=CC2C=NC=CC=21)N1CCC[NH2+]CC1,5.24,1q8w_protein.pt,1q8w_pocket.pt,1q8w_ligand.pt
4cjr,COC1C=CC(=CC=1)CNC(=O)C1=CC2OCOC=2C=C1C[NH+](C)CC1C=CC=C(OC)C=1C(=O)[O-],3.1,4cjr_protein.pt,4cjr_pocket.pt,4cjr_ligand.pt
5g5v,COC1C=CC(=CC=1C1C=CC(=CC=1)C(=O)N1CCC(O)C1)C1=NN(C(=O)C2CC=CCC12)C(C)C,6.7,5g5v_protein.pt,5g5v_pocket.pt,5g5v_ligand.pt
6eln,COC1C=CC(=CC=1)C1C(C)=NNC=1C1C=CC(O)=CC=1O,6.05,6eln_protein.pt,6eln_pocket.pt,6eln_ligand.pt
1yfz,O=C1NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,4.35,1yfz_protein.pt,1yfz_pocket.pt,1yfz_ligand.pt
4o07,CC(C)CC1C=C(C=C2CCNC(=O)C=12)N1C2C[NH+](C)CCC=2C2C(=O)CC(C)(C)CC=21,7.38,4o07_protein.pt,4o07_pocket.pt,4o07_ligand.pt
4s1g,CC(NC(=O)C1C=C(C=C(F)C=1)CN1C(=O)CC(C)(N[C+]1=N)C(C)C)C1C=CC=CC=1,9.22,4s1g_protein.pt,4s1g_pocket.pt,4s1g_ligand.pt
1o5g,CC1CCCCC1OC1C=CC=C(C2=NC3=CC(=C(F)C=C3N2)[C+](=N)=N)C=1O,4.96,1o5g_protein.pt,1o5g_pocket.pt,1o5g_ligand.pt
2i4v,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12,11.2,2i4v_protein.pt,2i4v_pocket.pt,2i4v_ligand.pt
1nny,CC(=O)NC(CC1=CC=C(C2C=CC=CC=21)N(C(=O)C(=O)[O-])C1=CC=CC=C1C(=O)[O-])C(=O)NCCCCCOC1=CC2C=CC=CC=2C=C1C(=O)[O-],7.66,1nny_protein.pt,1nny_pocket.pt,1nny_ligand.pt
5xmx,CC(=CCOC1C=CC=CC=1CN(C)C(=O)C1C=CC(=CC=1)C1=CC=CO1)CCC(=O)[O-],7.24,5xmx_protein.pt,5xmx_pocket.pt,5xmx_ligand.pt
6ghh,CC=CCCCC=CCCCCC(=O)[O-],6.71,6ghh_protein.pt,6ghh_pocket.pt,6ghh_ligand.pt
4oc1,O=C(NC(CCCCNC(=O)C1C=CC(I)=CC=1)C(=O)[O-])NC(CC1CO1)C(=O)[O-],6.6,4oc1_protein.pt,4oc1_pocket.pt,4oc1_ligand.pt
2pgz,COC(=O)C1C(CC2CCC1[NH+]2C)OC(=O)C1C=CC=CC=1,5.74,2pgz_protein.pt,2pgz_pocket.pt,2pgz_ligand.pt
2o4r,C=C1C(O)CC(=CC=C2CCCC3(C)C(CCC23)=C(C)CCCC(C)(C)O)CC1O,9.4,2o4r_protein.pt,2o4r_pocket.pt,2o4r_ligand.pt
5mkr,C=CC(=O)OCCCC1OC(C(O)C1O)N1C(=NC2C1=NC=NC=2N)NCC1C=CC(Cl)=CC=1,4.77,5mkr_protein.pt,5mkr_pocket.pt,5mkr_ligand.pt
1pbq,O=C([O-])C1C=C(O)C2C(=CC(Cl)=CC=2Cl)N=1,6.27,1pbq_protein.pt,1pbq_pocket.pt,1pbq_ligand.pt
2pym,CC1C(=CC=CC=1O)C(=O)NC(CSC1C=CC=CC=1)C(O)C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C,6.82,2pym_protein.pt,2pym_pocket.pt,2pym_ligand.pt
1td7,O=C([O-])C1=CC=CN=C1NC1=CC=CC(=C1)C(F)(F)F,4.37,1td7_protein.pt,1td7_pocket.pt,1td7_ligand.pt
1li2,OC1C=CC=CC=1,4.04,1li2_protein.pt,1li2_pocket.pt,1li2_ligand.pt
1pxn,CNC1=NC(C)=C(S1)C1=CC=NC(=N1)NC1C=CC(O)=CC=1,7.15,1pxn_protein.pt,1pxn_pocket.pt,1pxn_ligand.pt
2uyn,CCC(=O)C(=O)[O-],2.7,2uyn_protein.pt,2uyn_pocket.pt,2uyn_ligand.pt
4zji,CCN1C2=CC=C(F)C=C2N=C(C2C=C(Cl)C=CC=21)N1CC[NH+](C)CC1,6.47,4zji_protein.pt,4zji_pocket.pt,4zji_ligand.pt
4z1k,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CCC2=CC(O)=C(O)C=C2C1,8.33,4z1k_protein.pt,4z1k_pocket.pt,4z1k_ligand.pt
3bvb,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,5.49,3bvb_protein.pt,3bvb_pocket.pt,3bvb_ligand.pt
4de5,O=C([O-])C1COC2C=CC=CC=2O1,3.15,4de5_protein.pt,4de5_pocket.pt,4de5_ligand.pt
1lah,[NH3+]CCCC([NH3+])C(=O)[O-],7.52,1lah_protein.pt,1lah_pocket.pt,1lah_ligand.pt
4aq6,O=C([O-])CC1=CC(O)=CC=C1O,4.8,4aq6_protein.pt,4aq6_pocket.pt,4aq6_ligand.pt
2q54,CC(=O)NC(C(=O)NC(CC1C=CC=CC=1)CC(O)C(CC1C=CC=CC=1)NC(=O)C1CN(C(=O)O1)C1C=C(C=CC=1)C(C)=O)C(C)C,9.01,2q54_protein.pt,2q54_pocket.pt,2q54_ligand.pt
5yas,OC(O)(C(F)(F)F)C(F)(F)F,3.26,5yas_protein.pt,5yas_pocket.pt,5yas_ligand.pt
5f9b,CC1(C)CCC2(C(=O)[O-])C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1,4.26,5f9b_protein.pt,5f9b_pocket.pt,5f9b_ligand.pt
4lj5,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.29,4lj5_protein.pt,4lj5_pocket.pt,4lj5_ligand.pt
5om3,CC1C2=CC=CC(O)=C2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)C(O)C(C3C(O)C21)[NH+](C)C,4.1,5om3_protein.pt,5om3_pocket.pt,5om3_ligand.pt
3ozs,O=C(NCC=CC1OC(C(O)C1O)N1C=NC(=C1)C(F)(F)F)C1C=C(C=C(O)C=1O)[N+](=O)[O-],5.33,3ozs_protein.pt,3ozs_pocket.pt,3ozs_ligand.pt
1oba,C[N+](C)(C)CCO,2.44,1oba_protein.pt,1oba_pocket.pt,1oba_ligand.pt
1ppm,COC(=O)C(CC1C=CC=CC=1)O[P](=O)(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCC1C=CC=CC=1,5.8,1ppm_protein.pt,1ppm_pocket.pt,1ppm_ligand.pt
5sz7,NS(=O)(=O)C1C=CC(=CC=1)C1=CN=C2C=CC=CC2=C1,9.7,5sz7_protein.pt,5sz7_pocket.pt,5sz7_ligand.pt
1o36,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(=CC(=C1O)C1C=CC=CC=1[N+](=O)[O-])C(CC(=O)[O-])C(=O)[O-],5.96,1o36_protein.pt,1o36_pocket.pt,1o36_ligand.pt
4lzs,CCC1=C(NC(C)=C1C(C)=O)C(=O)NC,4.8,4lzs_protein.pt,4lzs_pocket.pt,4lzs_ligand.pt
1fm9,CC1OC(=NC=1CCOC1C=CC(=CC=1)CC(NC1=CC=CC=C1C(=O)C1C=CC=CC=1)C(=O)[O-])C1C=CC=CC=1,9.0,1fm9_protein.pt,1fm9_pocket.pt,1fm9_ligand.pt
4oc2,C#CCC(NC(=O)NC(CCCCNC(=O)C1C=CC(I)=CC=1)C(=O)[O-])C(=O)[O-],8.28,4oc2_protein.pt,4oc2_pocket.pt,4oc2_ligand.pt
3ovn,CN1N=C(C=C1N)C1=CC=CS1,2.55,3ovn_protein.pt,3ovn_pocket.pt,3ovn_ligand.pt
1lcp,CC(C)CC([NH3+])P(=O)(=O)=O,6.64,1lcp_protein.pt,1lcp_pocket.pt,1lcp_ligand.pt
4i8z,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(=CC=1)C(N)=O,11.05,4i8z_protein.pt,4i8z_pocket.pt,4i8z_ligand.pt
1sqo,N=[C+](=N)C1C=CC2C=CC=C(NC3N=CC=CN=3)C=2C=1,7.46,1sqo_protein.pt,1sqo_pocket.pt,1sqo_ligand.pt
3v2n,CCCCCCCCCCCCCC(=O)[O-],6.1,3v2n_protein.pt,3v2n_pocket.pt,3v2n_ligand.pt
4mss,CC(=O)NC1C[NH2+]CC(O)C(O)C1O,6.4,4mss_protein.pt,4mss_pocket.pt,4mss_ligand.pt
4r5b,NS(=O)(=O)OC1CCN(C1)S(=O)(=O)C1OC(CO)C(O)C(O)C1O,6.73,4r5b_protein.pt,4r5b_pocket.pt,4r5b_ligand.pt
4c1y,COC1OC(C)C(O)C(O)C1O,3.6,4c1y_protein.pt,4c1y_pocket.pt,4c1y_ligand.pt
1wdn,NC(=O)CCC([NH3+])C(=O)[O-],6.3,1wdn_protein.pt,1wdn_pocket.pt,1wdn_ligand.pt
5e2o,O=C(CCC1=CC(Cl)=CC=C1N1C=NN=N1)NC(CC1C=CC=CC=1)C(=O)NC1C=CC(=CC=1)C(=O)[O-],8.7,5e2o_protein.pt,5e2o_pocket.pt,5e2o_ligand.pt
3pd9,O=C1NOC2C[NH2+]C(CC=21)C(=O)[O-],6.22,3pd9_protein.pt,3pd9_pocket.pt,3pd9_ligand.pt
3n76,O=C([O-])C1(O)C=C(C=CCOC2C=CC=CC=2)C(O)C(O)C1,6.85,3n76_protein.pt,3n76_pocket.pt,3n76_ligand.pt
3arp,CC1C=C(N)C2C=CC=CC=2[N+]=1C=CCCCCCCCC[N+]1C2C=CC=CC=2C(N)=CC=1C,7.15,3arp_protein.pt,3arp_pocket.pt,3arp_ligand.pt
3f7i,C[NH2+]C(C)C(=O)NC(C(=O)N1CCC2CCC(NC(=O)C3=CC=CC4C=CC=CC=43)C21)C(C)(C)C,7.34,3f7i_protein.pt,3f7i_pocket.pt,3f7i_ligand.pt
5neb,CN1N=C(C(=O)[O-])C2C([NH2+]CC21)C(=O)[O-],7.77,5neb_protein.pt,5neb_pocket.pt,5neb_ligand.pt
2zdn,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)C1CCCN1C(=O)CCC1CCCC1,6.25,2zdn_protein.pt,2zdn_pocket.pt,2zdn_ligand.pt
4ciw,O=C([O-])C1(O)C=C(CCO)C(O)C(O)C1,4.82,4ciw_protein.pt,4ciw_pocket.pt,4ciw_ligand.pt
1m0o,CCC(C)(N=CC1=C(C=NC(C)=C1O)COP(=O)(=O)=O)P(=O)(=O)=O,2.31,1m0o_protein.pt,1m0o_pocket.pt,1m0o_ligand.pt
2bak,COC1=CC2=NC=NC(NC3=CC(=CC=C3C)NC(=O)C3=CC=NC(=C3)N3CCOCC3)=C2C=C1OCC[NH+]1CCCC1,7.43,2bak_protein.pt,2bak_pocket.pt,2bak_ligand.pt
5flo,ClC1C=CC(=CC=1)OCC1=NN=NN1,3.15,5flo_protein.pt,5flo_pocket.pt,5flo_ligand.pt
5ep7,CN1C=C(C=CC1=O)C(=O)NC1=CC=CC(=C1)C(=O)[O-],5.4,5ep7_protein.pt,5ep7_pocket.pt,5ep7_ligand.pt
6g35,NC1N=CN=C2C=1C(Br)=CN2C1OC(CO)C(O)C1O,7.76,6g35_protein.pt,6g35_pocket.pt,6g35_ligand.pt
4jh0,CC1=NC2CN(CC(=O)N(C)C)C(=O)C=2C(C2=CC=C(Cl)C=C2Cl)=C1C[NH3+],9.03,4jh0_protein.pt,4jh0_pocket.pt,4jh0_ligand.pt
2qhz,CC(=CC(=O)NC(CC1C=CC=CC=1)C(O)CN(CC1=CC=CS1)S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(F)(F)F,7.28,2qhz_protein.pt,2qhz_pocket.pt,2qhz_ligand.pt
6d9x,C1=CC=C(C=C1)C1=CN2C=CC=C2N1,3.49,6d9x_protein.pt,6d9x_pocket.pt,6d9x_ligand.pt
5vih,[NH3+]C(CC1C=C(N=[N+]1C1C=CC(F)=CC=1)C(=O)[O-])C(=O)[O-],7.49,5vih_protein.pt,5vih_pocket.pt,5vih_ligand.pt
3dne,C1=CC=C2C(=C1)NN=C2C1C=CN=CC=1,5.22,3dne_protein.pt,3dne_pocket.pt,3dne_ligand.pt
2oax,CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12,8.65,2oax_protein.pt,2oax_pocket.pt,2oax_ligand.pt
4pop,CC1=NC=C(CC2=CSC(CO)=C2C)C(N)=N1,8.13,4pop_protein.pt,4pop_pocket.pt,4pop_ligand.pt
5n24,N#CC1C=CC(=CC=1)C1C=CC(=CC=1)S(N)(=O)=O,8.92,5n24_protein.pt,5n24_pocket.pt,5n24_ligand.pt
3nht,CCCCCCC=CC1C(CC=CCCCCO)C2C3OC1C32,7.01,3nht_protein.pt,3nht_pocket.pt,3nht_ligand.pt
4pum,CNC1=NC2C=C3C(=O)N[C+](=N)NC3=CC=2N1,6.73,4pum_protein.pt,4pum_pocket.pt,4pum_ligand.pt
2b07,O=C([O-])COC1=C(SC2C3C=CC(=CC=3SC=21)NC1CCN(CC1)S(=O)(=O)CC1C=CC=CC=1)C(=O)[O-],6.43,2b07_protein.pt,2b07_pocket.pt,2b07_ligand.pt
1t4v,C=CCN(C(=O)C1C=C(Cl)C=C(C=1)OCCCONC(N)=[NH2+])C1CCCC1,7.68,1t4v_protein.pt,1t4v_pocket.pt,1t4v_ligand.pt
5nk4,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)NC2CC[NH2+]CC2(F)F)S1,8.7,5nk4_protein.pt,5nk4_pocket.pt,5nk4_ligand.pt
5kby,CN1C(=O)C=C(N2CCCC([NH3+])C2)N(CC2C=C(F)C=CC=2C#N)C1=O,8.82,5kby_protein.pt,5kby_pocket.pt,5kby_ligand.pt
3lxk,CC1CCN(CC1N(C)C1N=CN=C2NC=CC=12)C(=O)CC#N,9.8,3lxk_protein.pt,3lxk_pocket.pt,3lxk_ligand.pt
5n34,CC(C)CC(N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1)C(=O)NCC[NH3+],4.63,5n34_protein.pt,5n34_pocket.pt,5n34_ligand.pt
4lhm,CC1=CN(C(=O)NC1=O)C1CC(N=[N+]=[N-])C(CO)O1,3.39,4lhm_protein.pt,4lhm_pocket.pt,4lhm_ligand.pt
1utn,[NH3+]CC1C=CC=CC=1,3.49,1utn_protein.pt,1utn_pocket.pt,1utn_ligand.pt
6euw,O=C([O-])C1C2CCC(CC2)C1NC1N=C(N=CC=1F)C1NN=C2N=CC(F)=CC=12,7.77,6euw_protein.pt,6euw_pocket.pt,6euw_ligand.pt
3gs6,CCCC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,6.59,3gs6_protein.pt,3gs6_pocket.pt,3gs6_ligand.pt
4l4v,CC1N=C2C(=O)NC(=O)N=C2N(CC(O)C(O)C(O)CO)C=1O,5.78,4l4v_protein.pt,4l4v_pocket.pt,4l4v_ligand.pt
3bfu,[NH3+]C(CC1=NSNC1=O)C(=O)[O-],6.27,3bfu_protein.pt,3bfu_pocket.pt,3bfu_ligand.pt
4gue,CC1OC(OC2C(=O)C3C(O)=CC(O)=CC=3OC=2C2C=CC(O)=C(O)C=2)C(O)C(O)C1O,5.24,4gue_protein.pt,4gue_pocket.pt,4gue_ligand.pt
3gi5,CC(=O)C1=CC=CC(=C1)N1CC(OC1=O)C(=O)NC(CC1C=CC=CC=1)C(O)CN(CC(C)C)S(=O)(=O)C1C=C2OCOC2=CC=1,11.22,3gi5_protein.pt,3gi5_pocket.pt,3gi5_ligand.pt
1rpj,OCC1OC(O)C(O)C(O)C1O,6.48,1rpj_protein.pt,1rpj_pocket.pt,1rpj_ligand.pt
6cn5,CN1C=C(C2=CC(=CC=C21)NC(=O)C1C=C(C#N)C=CN=1)C1CCN(CC1)C(=O)C1CCCCC1,7.7,6cn5_protein.pt,6cn5_pocket.pt,6cn5_ligand.pt
5dyo,O=C1C=CC2C(=C1)OC1=CC(O)=CC=C1C=2C1=CC=CC=C1C(=O)[O-],10.21,5dyo_protein.pt,5dyo_pocket.pt,5dyo_ligand.pt
3ggu,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,9.77,3ggu_protein.pt,3ggu_pocket.pt,3ggu_ligand.pt
1nc3,NC1N=CN=C2C(=NNC=12)C1OC(CO)C(O)C1O,5.0,1nc3_protein.pt,1nc3_pocket.pt,1nc3_ligand.pt
5uv2,CC(C)=CCCC(C)=C(F)CO[P](=O)(=O)OP(=O)(=O)=O,4.4,5uv2_protein.pt,5uv2_pocket.pt,5uv2_ligand.pt
2iwx,O=C1CCCCCC=CCCOC(=O)C2=C(O)C=C(O)C(Cl)=C2C1,6.68,2iwx_protein.pt,2iwx_pocket.pt,2iwx_ligand.pt
4l2l,NC1=NC(=CS1)C1C=CC(=CC=1)CC1C=CC=CC=1,5.7,4l2l_protein.pt,4l2l_pocket.pt,4l2l_ligand.pt
3d0b,COCCNC1=CC(=CC=C1C(N)=O)N1C2=CC=CC=C2C2C(=O)CCCC=21,6.54,3d0b_protein.pt,3d0b_pocket.pt,3d0b_ligand.pt
1sqa,N=[C+](=N)C1C=CC2=CC(=CC(NC3N=CC=CN=3)=C2C=1)C(=O)NC1C=CC(=CC=1)C[NH3+],9.21,1sqa_protein.pt,1sqa_pocket.pt,1sqa_ligand.pt
1ony,CCCCCNC(=O)C(CC1=CC=C(C(=C1)CCC(N)=O)N(C(=O)C(=O)[O-])C1=CC=CC=C1C(=O)[O-])NS(C)(=O)=O,6.77,1ony_protein.pt,1ony_pocket.pt,1ony_ligand.pt
5oku,O=C([O-])CCCCC(=O)[O-],6.26,5oku_protein.pt,5oku_pocket.pt,5oku_ligand.pt
4cga,C[N+](C)=C1C=CN(C=C1)CC1C=CC(=CC=1)CCC1C=CC=CC=1,6.4,4cga_protein.pt,4cga_pocket.pt,4cga_ligand.pt
2qi5,CCCCCN(CC(O)C(CC1C=CC=CC=1)NC(=O)C(NC(C)=O)C(C)C)S(=O)(=O)C1C=C2SC=NC2=CC=1,10.85,2qi5_protein.pt,2qi5_pocket.pt,2qi5_ligand.pt
3u93,[NH3+]C(CCC(=O)[O-])C(=O)[O-],6.31,3u93_protein.pt,3u93_pocket.pt,3u93_ligand.pt
966c,O=C(CC1(CCOCC1)S(=O)(=O)C1C=CC(=CC=1)OC1C=CC=CC=1)NO,7.64,966c_protein.pt,966c_pocket.pt,966c_ligand.pt
2q8z,N=C1CC(=O)NC(=O)N1C1OC(COP(=O)(=O)=O)C(O)C1O,5.68,2q8z_protein.pt,2q8z_pocket.pt,2q8z_ligand.pt
2qzr,NC1=NC2=CC3N=C(NCC4=CC=CC5=CC=CC=C54)NC=3C=C2C(=O)N1,7.26,2qzr_protein.pt,2qzr_pocket.pt,2qzr_ligand.pt
1k1n,COC1C=C(C)C(=C(C)C=1C)S(=O)(=O)NC(CC(=O)[O-])C(=O)NC(CC1C=CC(=CC=1)C(N)=[NH2+])C(=O)N1CCCCC1,6.82,1k1n_protein.pt,1k1n_pocket.pt,1k1n_ligand.pt
5n0e,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CCC2=CC(O)=C(O)C=C2C1C1C=CC=CC=1,8.44,5n0e_protein.pt,5n0e_pocket.pt,5n0e_ligand.pt
6ezq,O=C([O-])CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-],4.66,6ezq_protein.pt,6ezq_pocket.pt,6ezq_ligand.pt
5bry,C[NH2+]C1COC2OCC(OC(=O)NC(CC3C=CC=CC=3)C(O)CN(CC(C)C)S(=O)(=O)C3C=CC(=CC=3)OC)C12,11.82,5bry_protein.pt,5bry_pocket.pt,5bry_ligand.pt
2qe4,COCC1C=C(O)C=C2C=1OC(C1C=CC(O)=CC=1)C1CCCC21,7.96,2qe4_protein.pt,2qe4_pocket.pt,2qe4_ligand.pt
2nt7,O=C([O-])COC1C(Br)=C(SC=1C1N=NNN=1)C1C=CC=C(C=1)NC1CCN(CC1)S(=O)(=O)CC1C=CC=CC=1,6.52,2nt7_protein.pt,2nt7_pocket.pt,2nt7_ligand.pt
1f3e,NC1=CC2C(=O)NNC(=O)C=2C(N)=C1,6.7,1f3e_protein.pt,1f3e_pocket.pt,1f3e_ligand.pt
4ido,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.93,4ido_protein.pt,4ido_pocket.pt,4ido_ligand.pt
5ef7,O=C(NO)C1C=CC(=CC=1)CC(=O)N(CCO)C1C=CC=CC=1,9.0,5ef7_protein.pt,5ef7_pocket.pt,5ef7_ligand.pt
6fui,[NH3+]CC1C=CC=C(C=1)NC1N=C(N=C2C=CC=CC=12)NC1CCCCC1C(=O)[O-],4.46,6fui_protein.pt,6fui_pocket.pt,6fui_ligand.pt
1gyx,O=C([O-])C1C=CC=CC=1,2.48,1gyx_protein.pt,1gyx_pocket.pt,1gyx_ligand.pt
1uou,NC1=CCCN1CC1NC(=O)NC(=O)C=1Cl,7.7,1uou_protein.pt,1uou_pocket.pt,1uou_ligand.pt
5nk2,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)NC2CC[NH2+]CC2F)S1,6.74,5nk2_protein.pt,5nk2_pocket.pt,5nk2_ligand.pt
1rtf,N=[C+](=N)C1C=CC=CC=1,3.04,1rtf_protein.pt,1rtf_pocket.pt,1rtf_ligand.pt
6dai,CN1CCC2CC(CCC=21)C1=CN2C=CCC2=N1,4.07,6dai_protein.pt,6dai_pocket.pt,6dai_ligand.pt
2v2v,N=C1C=CN(C(=O)N1)C1OC(CNC(=O)CC2=NC3=CC=CC=C3N2)C(O)C1O,4.07,2v2v_protein.pt,2v2v_pocket.pt,2v2v_ligand.pt
4kp5,NS(=O)(=O)C1=CC=C(C=C1Cl)C(=O)CSC1N=CC=CN=1,6.08,4kp5_protein.pt,4kp5_pocket.pt,4kp5_ligand.pt
4zgk,O=C1OC(O)(CC2C=CC(Cl)=CC=2)C(C2=CNC3C=C(Cl)C=CC=32)=C1CC1C=CC(Cl)=CC=1,5.51,4zgk_protein.pt,4zgk_pocket.pt,4zgk_ligand.pt
4ej8,O=C([O-])C1=CC=C2C=CNC2=C1,5.39,4ej8_protein.pt,4ej8_pocket.pt,4ej8_ligand.pt
3dln,[NH3+]C(CCC(=O)[O-])C(=O)[O-],6.6,3dln_protein.pt,3dln_pocket.pt,3dln_ligand.pt
1nvq,C[NH2+]C1CC2OC(C)(C1OC)N1C3C=CC=CC=3C3=C4C(C(=O)NC4O)=C4C5C=CC=CC=5N2C4=C31,8.25,1nvq_protein.pt,1nvq_pocket.pt,1nvq_ligand.pt
4gr0,CC(NC(=O)C(C)NC(=O)C(CC1=CC(=NO1)C1C=CC(=CC=1)C1C=C(Cl)C=CC=1)C[P](=O)(=O)C1C=CC(Br)=CC=1)C(N)=O,9.55,4gr0_protein.pt,4gr0_pocket.pt,4gr0_ligand.pt
5nea,CC1=NC=C(O1)C1C=CC(=CC=1)S(N)(=O)=O,10.3,5nea_protein.pt,5nea_pocket.pt,5nea_ligand.pt
4l9i,FC1C=CC(=CC=1)C1CC[NH2+]CC1COC1C=CC2OCOC=2C=1,4.89,4l9i_protein.pt,4l9i_pocket.pt,4l9i_ligand.pt
3t82,CC(=O)OC1C(COS(N)(=O)=O)OC(O)C(O)C1OC(C)=O,7.0,3t82_protein.pt,3t82_pocket.pt,3t82_ligand.pt
1f4e,CC1C=CC(=CC=1)S(=O)(=O)N1CCCC1C(=O)[O-],2.96,1f4e_protein.pt,1f4e_pocket.pt,1f4e_ligand.pt
5l8y,COC1=CC=C(C=C1C1C=CC(=CC=1)C(=O)NCC(=O)NCCO)C1=NN(C(=O)C2CC=CCC12)C1CCCCCC1,6.4,5l8y_protein.pt,5l8y_pocket.pt,5l8y_ligand.pt
6gjj,CCOC(=O)CNC(=O)N(CC)CC1C=CC(N)=CC=1,3.7,6gjj_protein.pt,6gjj_pocket.pt,6gjj_ligand.pt
2wvt,OCC1[NH2+]C(CO)C(O)C(O)C1O,6.12,2wvt_protein.pt,2wvt_pocket.pt,2wvt_ligand.pt
5umx,CC1=CC2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)C=2C=C1C,5.96,5umx_protein.pt,5umx_pocket.pt,5umx_ligand.pt
3le9,COC1C=CC2NN(CC3(NC(=O)NC3=O)C3C=CC=CC=3)C(=O)C=2C=1,8.22,3le9_protein.pt,3le9_pocket.pt,3le9_ligand.pt
1fjs,CN1CCN=C1C1C=CC=C(C=1)OC1=NC(OC2=CC(=CC=C2O)C(N)=[NH2+])=C(F)C(=C1F)N(C)CC(=O)[O-],9.96,1fjs_protein.pt,1fjs_pocket.pt,1fjs_ligand.pt
2j79,OCC1NC(=NO)C(O)C(O)C1O,5.96,2j79_protein.pt,2j79_pocket.pt,2j79_ligand.pt
1zoe,CN(C)C1=NC2=C(Br)C(Br)=C(Br)C(Br)=C2N1,7.4,1zoe_protein.pt,1zoe_pocket.pt,1zoe_ligand.pt
5ant,CNC1=NC(=NC2=C1NC(=O)N2CC1C=CC=CC=1)OCCOC,6.36,5ant_protein.pt,5ant_pocket.pt,5ant_ligand.pt
1alw,O=C([O-])C(S)CC1C=CC=CC=1,6.52,1alw_protein.pt,1alw_pocket.pt,1alw_ligand.pt
1utm,[NH3+]CCC1C=CC=CC=1,3.01,1utm_protein.pt,1utm_pocket.pt,1utm_ligand.pt
3l3l,NC(=O)C1C=CC=C2CN(C(=O)C=12)C1CC[NH2+]CC1,7.48,3l3l_protein.pt,3l3l_pocket.pt,3l3l_ligand.pt
4gqr,O=C1C(O)=C(OC2C=C(O)C=C(O)C=21)C1C=C(O)C(O)=C(O)C=1,3.96,4gqr_protein.pt,4gqr_pocket.pt,4gqr_ligand.pt
3ipq,O=C([O-])CC1=CC=CC(=C1)OCCC[NH+](CC1=CC=CC(=C1Cl)C(F)(F)F)CC(C1C=CC=CC=1)C1C=CC=CC=1,7.57,3ipq_protein.pt,3ipq_pocket.pt,3ipq_ligand.pt
4pvx,O=P(=O)(=O)C(NC1=CC(=CC=N1)C1C=CC(=CC=1)OC1C=C1)P(=O)(=O)=O,6.76,4pvx_protein.pt,4pvx_pocket.pt,4pvx_ligand.pt
6cvf,[NH3+]C1CCN(C(=O)N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.35,6cvf_protein.pt,6cvf_pocket.pt,6cvf_ligand.pt
3p3s,CN1C(=CC2=CC(Br)=C(O)C(Br)=C2)C(=O)N[C+]1=N,7.59,3p3s_protein.pt,3p3s_pocket.pt,3p3s_ligand.pt
5ja0,CC(C)=CCCC(C)=CCCC(C)=CCO[P](=O)(=O)OP(=O)(=O)=O,5.22,5ja0_protein.pt,5ja0_pocket.pt,5ja0_ligand.pt
5txy,O=C1NC(=O)C(O1)C1C=CC=CC=1,5.46,5txy_protein.pt,5txy_pocket.pt,5txy_ligand.pt
5tpx,CC1=NN=C2C3=CC=CC=C3C(=NN12)NC(C)C(C1C=CC=CC=1)[NH+](C)C,6.55,5tpx_protein.pt,5tpx_pocket.pt,5tpx_ligand.pt
4aji,COC1=CC=C(C=C1OC)CC(C(=O)[O-])C(=O)[O-],3.55,4aji_protein.pt,4aji_pocket.pt,4aji_ligand.pt
4m0y,NC(=O)NC1=CN(N=C1C(N)=O)C1=CC=CC2=CC=CC=C21,6.46,4m0y_protein.pt,4m0y_pocket.pt,4m0y_ligand.pt
2vrj,CCCCCCCCNC(=S)N1C2COC1C(O)C(O)C2O,6.3,2vrj_protein.pt,2vrj_pocket.pt,2vrj_ligand.pt
5lz5,CC1(CC(=O)N(CCOC2=CC=C(F)C(C#N)=C2)C1)C1C=CC=CC=1,6.35,5lz5_protein.pt,5lz5_pocket.pt,5lz5_ligand.pt
2qbs,O=C([O-])COC1C(Br)=C(SC=1C(=O)[O-])C1C=CC=C(C=1)NC1CCCCC1,6.68,2qbs_protein.pt,2qbs_pocket.pt,2qbs_ligand.pt
3fat,CC1ONC(=O)C=1CC([NH3+])C(=O)[O-],7.64,3fat_protein.pt,3fat_pocket.pt,3fat_ligand.pt
4r0a,O=C1C=CN(C(=O)N1)C1OC(CO)C(O)C1O,4.26,4r0a_protein.pt,4r0a_pocket.pt,4r0a_ligand.pt
2o4k,COC(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C[NH+](CC1C=CC(=CC=1)C1=CC=CC=N1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C,10.46,2o4k_protein.pt,2o4k_pocket.pt,2o4k_ligand.pt
5egu,CCCCC1C(C)=NC2=NC(=NN2C=1C)SCC1=NC2=C(C(=O)NC(=O)N2CCCC)N1CC,5.85,5egu_protein.pt,5egu_pocket.pt,5egu_ligand.pt
1o2o,CC(C)COC1C=CC=C(C2=NC3=CC(=C(F)C=C3N2)[C+](=N)=N)C=1O,6.36,1o2o_protein.pt,1o2o_pocket.pt,1o2o_ligand.pt
4p6w,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)C1=CC=CO1)C(O)CCl,9.15,4p6w_protein.pt,4p6w_pocket.pt,4p6w_ligand.pt
1phw,O=P(=O)(=O)OCC1OCC(O)C1O,3.3,1phw_protein.pt,1phw_pocket.pt,1phw_ligand.pt
5fh8,CCC(CC)CC1C=CN2C3C=CC=C(Cl)C=3C(=O)NC=12,6.77,5fh8_protein.pt,5fh8_pocket.pt,5fh8_ligand.pt
2flr,NC(=O)NCC1C=CC=C(C=1)C1C=CC=C(C2=CC3=CN=CC=C3N2)C=1O,6.1,2flr_protein.pt,2flr_pocket.pt,2flr_ligand.pt
3p58,CN(CC1C=CC=CC=1)C(=S)S,7.6,3p58_protein.pt,3p58_pocket.pt,3p58_ligand.pt
3hkw,C=C(C)COC1=CC=C(C(F)=C1)C1C2=C(CC(C)(C)CS2(=O)=O)NC2C(=CC=CC=2O)N1C(=O)C1N=C(C)OC=1C,8.64,3hkw_protein.pt,3hkw_pocket.pt,3hkw_ligand.pt
4hf4,CC(O)C1CCN(CC1)C1=NC=CN=C1OC1C=CC(=CC=1)NC1=NC2=CC=CC=C2S1,8.62,4hf4_protein.pt,4hf4_pocket.pt,4hf4_ligand.pt
4gfm,O=C1CC(=CC=N1)NC(=O)C1C(Cl)=CC=CC=1Cl,7.22,4gfm_protein.pt,4gfm_pocket.pt,4gfm_ligand.pt
4xiq,CC1C2C(=O)CC(C)(C)CC=2N2C3=CC=C(C=C3OCCC=12)C(N)=O,7.07,4xiq_protein.pt,4xiq_pocket.pt,4xiq_ligand.pt
5hz5,ClC1=CC=C2N=C(C(C3=NN=NN3)=C(C3C=CC=CC=3)C2=C1)N1CCCCC1,7.07,5hz5_protein.pt,5hz5_pocket.pt,5hz5_ligand.pt
1w5w,O=C(NC1C2=CC=CC=C2CC1O)C(OCC1=CC=C(F)C=C1F)C(O)C(O)C(OCC1C=CC(F)=CC=1F)C(=O)NC1C2=CC=CC=C2CC1O,8.8,1w5w_protein.pt,1w5w_pocket.pt,1w5w_ligand.pt
4j22,CC1=CC(=O)NC2=CC(=CC=C12)C1C=CC(=CC=1Cl)C(=O)NCC[NH+]1CCOCC1,7.74,4j22_protein.pt,4j22_pocket.pt,4j22_ligand.pt
3acx,C=CCC1C=C(C=CC=1OCCC[NH2+]C(C)C)C1C=CC=CC=1,5.7,3acx_protein.pt,3acx_pocket.pt,3acx_ligand.pt
2xnb,CC1=C(SC(=O)N1C)C1=CC=NC(=N1)NC1C=CC(=CC=1)N1CC[NH2+]CC1,6.83,2xnb_protein.pt,2xnb_pocket.pt,2xnb_ligand.pt
4uin,C=CC1C[NH+]2CCC1CC2C(O)C1=CC=NC2C=CC(=CC=21)OC,7.62,4uin_protein.pt,4uin_pocket.pt,4uin_ligand.pt
3jup,O=C([O-])C1C=C(Br)C=CC=1NC1CCC[NH2+]C1,5.58,3jup_protein.pt,3jup_pocket.pt,3jup_ligand.pt
1z71,CC(NC(=O)CC1=C(Cl)C=CC(NCC(F)(F)C2=CC=CC=[N+]2O)=[N+]1O)C1C=CC=C(Cl)C=1,9.18,1z71_protein.pt,1z71_pocket.pt,1z71_ligand.pt
4je7,CCCCCC(CC(=O)NO)C(=O)NC(C(=O)N1CCCC1CO)C(C)C,6.4,4je7_protein.pt,4je7_pocket.pt,4je7_ligand.pt
4aq4,O=P(=O)(=O)OCC(O)CO,6.17,4aq4_protein.pt,4aq4_pocket.pt,4aq4_ligand.pt
3uex,CCCCCCCCCCCCCCCCCC(=O)[O-],6.92,3uex_protein.pt,3uex_pocket.pt,3uex_ligand.pt
4n07,O=S1(=O)NCN(C2C=CC(F)=CC=21)C1CC1,6.46,4n07_protein.pt,4n07_pocket.pt,4n07_ligand.pt
1tom,C[NH2+]C(CC1C=CC=CC=1)C(=O)N1CCCC1C(=O)NCC1CCC([NH3+])CC1,8.3,1tom_protein.pt,1tom_pocket.pt,1tom_ligand.pt
1ec1,CNC(=O)C(NC(=O)C(OCC1C=CC(=CC=1)C1C=CSC=1)C(O)C(O)C(OCC1C=CC(=CC=1)C1C=CSC=1)C(=O)NC(C(=O)NC)C(C)C)C(C)C,8.92,1ec1_protein.pt,1ec1_pocket.pt,1ec1_ligand.pt
1bn4,COC1C=CC(=CC=1)CNS(=O)(=O)C1=CC=C(S1)S(N)(=O)=O,9.31,1bn4_protein.pt,1bn4_pocket.pt,1bn4_ligand.pt
5exl,[NH3+]CC1CCC(CC1)C(=O)NC(CC1C=CC=CC=1)C1C=C(C=CN=1)C1C=CC2NN=C(O)C=2C=1,8.43,5exl_protein.pt,5exl_pocket.pt,5exl_ligand.pt
4lov,CCCC=CCCOC1OC(CO)C(O)C(O)C1O,7.77,4lov_protein.pt,4lov_pocket.pt,4lov_ligand.pt
5j64,O=C1NN=C(C2C=CC(O)=CC=2O)N1C1C=CC=CC=1F,6.85,5j64_protein.pt,5j64_pocket.pt,5j64_ligand.pt
6ayi,O=C([O-])C1OC(OC2C=CC(=CC=2)[N+](=O)[O-])C(O)C(O)C1O,6.68,6ayi_protein.pt,6ayi_pocket.pt,6ayi_ligand.pt
1ciz,O=C([O-])C(CC1=CNC2C=CC=CC=21)NS(=O)(=O)C1C=CC(=CC=1)N1CCC(CC1)C1C=CC=CC=1,7.44,1ciz_protein.pt,1ciz_pocket.pt,1ciz_ligand.pt
4keq,CC1=NC=C2C(=O)OCC2=C1O,3.82,4keq_protein.pt,4keq_pocket.pt,4keq_ligand.pt
4xas,[NH3+]C1(CC2(CC2)C2C(C(=O)[O-])C21)C(=O)[O-],6.59,4xas_protein.pt,4xas_pocket.pt,4xas_ligand.pt
4o05,CC(C)NC1C=C(C=C2CCNC(=O)C=12)N1C2C[NH+](C)CCC=2C2C(=O)CC(C)(C)CC=21,7.43,4o05_protein.pt,4o05_pocket.pt,4o05_ligand.pt
4xo8,CCCCCCCOC1OC(CO)C(O)C(O)C1O,8.96,4xo8_protein.pt,4xo8_pocket.pt,4xo8_ligand.pt
5oh9,O=C1CSC(=O)N1,3.86,5oh9_protein.pt,5oh9_pocket.pt,5oh9_ligand.pt
4ua8,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,6.26,4ua8_protein.pt,4ua8_pocket.pt,4ua8_ligand.pt
3fh7,O=C([O-])CCC[NH+]1CCCC1COC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1,7.6,3fh7_protein.pt,3fh7_pocket.pt,3fh7_ligand.pt
4lhv,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,10.0,4lhv_protein.pt,4lhv_pocket.pt,4lhv_ligand.pt
3rz5,CCCCCNC(=O)C1C=CC(=CC=1)S(N)(=O)=O,7.89,3rz5_protein.pt,3rz5_pocket.pt,3rz5_ligand.pt
1g2k,CNC(=O)C1C=C(C=CC=1)CN1C(COC2C=CC=CC=2)C(O)C(O)C(COC2C=CC=CC=2)N(CC2C=CC=CC=2)S1(=O)=O,7.96,1g2k_protein.pt,1g2k_pocket.pt,1g2k_ligand.pt
1w3k,OCC1OC(OC2C(O)C[NH2+]OC2CO)C(O)C(O)C1O,4.3,1w3k_protein.pt,1w3k_pocket.pt,1w3k_ligand.pt
1p1q,CC1ONC(=O)C=1CC([NH3+])C(=O)[O-],4.89,1p1q_protein.pt,1p1q_pocket.pt,1p1q_ligand.pt
6ej3,COC1CCC2(CC1)CC1C=CC(=CC=1C21CO[C+](=N)N1)C1C=C(C)C=NC=1,5.93,6ej3_protein.pt,6ej3_pocket.pt,6ej3_ligand.pt
1c1u,N=[C+](=N)C1C=CC2N=C(CC3=NC4=CC=CC=C4N3)NC=2C=1,8.25,1c1u_protein.pt,1c1u_pocket.pt,1c1u_ligand.pt
2zq2,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)C1CCCN1C(=O)C[NH2+]C1CCCCCCC1,6.56,2zq2_protein.pt,2zq2_pocket.pt,2zq2_ligand.pt
3cda,CC(C)N1C(CCC(O)CC(O)CC(=O)[O-])=C(C2C=CC(F)=CC=2)C(C2C=CC=CC=2)=C1C(=O)NC1C=CC(=CC=1)S(N)(=O)=O,7.58,3cda_protein.pt,3cda_pocket.pt,3cda_ligand.pt
2hnc,N=[C+]1NN=C(S1)S(N)(=O)=O,7.22,2hnc_protein.pt,2hnc_pocket.pt,2hnc_ligand.pt
4c5d,CCCN(C(=O)NC(CSCC1C=CC(Br)=CC=1)C(=O)[O-])C(=O)C1C=CC=C(C#CC2=CC=C(F)C=C2F)C=1,5.4,4c5d_protein.pt,4c5d_pocket.pt,4c5d_ligand.pt
1d7i,CSCS(C)=O,3.6,1d7i_protein.pt,1d7i_pocket.pt,1d7i_ligand.pt
4f9u,COC1C=CC(=CC=1OC)NC(S)=NCCCN1C=CN=C1,6.03,4f9u_protein.pt,4f9u_pocket.pt,4f9u_ligand.pt
6c7q,COC1C=C2C(=CC=1C1C(C)=NOC=1C)NC1N=C(C)N=C(NC3=NN(C)C4=CC=CC=C43)C=12,9.15,6c7q_protein.pt,6c7q_pocket.pt,6c7q_ligand.pt
3gi4,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)C1CN(C(=O)O1)C1=CC=CC(=C1)C(F)(F)F)S(=O)(=O)C1C=CC2OCOC=2C=1,10.8,3gi4_protein.pt,3gi4_pocket.pt,3gi4_ligand.pt
4uyf,CC(=O)N1C2C=CC(=CC=2C(CC1C)NC1C=CC(Cl)=CC=1)C1C=CC(=CC=1)C(=O)[O-],7.6,4uyf_protein.pt,4uyf_pocket.pt,4uyf_ligand.pt
3mfv,NC1=NC=C(CCC([NH3+])C(=O)[O-])N1,2.52,3mfv_protein.pt,3mfv_pocket.pt,3mfv_ligand.pt
5ufs,CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO,8.49,5ufs_protein.pt,5ufs_pocket.pt,5ufs_ligand.pt
5f1v,[NH3+]CCCCC([NH3+])(CCC([NH3+])(CCCC[NH3+])C(=O)[O-])C(=O)[O-],6.85,5f1v_protein.pt,5f1v_pocket.pt,5f1v_ligand.pt
6got,NS(=O)(=O)C1C=CC(=CC=1)SCCC1C=CC=CC=1,9.4,6got_protein.pt,6got_pocket.pt,6got_ligand.pt
4twp,CNC(=O)C1=CC=CC=C1SC1C=CC2C(C=1)=NNC=2C=CC1C=CC=CN=1,10.0,4twp_protein.pt,4twp_pocket.pt,4twp_ligand.pt
1nje,NC1C=CN(C(=O)N=1)C1CC(O)C(COP(=O)(=O)=O)O1,3.8,1nje_protein.pt,1nje_pocket.pt,1nje_ligand.pt
4ibk,O=C([O-])C1=CC=CC(=C1)N1C(=O)C(O)=C(C(=O)C2=CC=C(Cl)S2)C1C1C=C2OCOC2=C(Cl)C=1,4.3,4ibk_protein.pt,4ibk_pocket.pt,4ibk_ligand.pt
4u6w,CCCC(CCC)C([NH3+])P(=O)(=O)=O,4.21,4u6w_protein.pt,4u6w_pocket.pt,4u6w_ligand.pt
1hsl,[NH3+]C(CC1=CNC=N1)C(=O)[O-],7.19,1hsl_protein.pt,1hsl_pocket.pt,1hsl_ligand.pt
1yvm,C1C=CC2NC(=NC=2C=1)C1=CSC=N1,6.4,1yvm_protein.pt,1yvm_pocket.pt,1yvm_ligand.pt
1bxo,COC(=O)C1CC2C=CC=C(C=2)CNC(=O)CC(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(=O)NC(CC(C)C)[P](=O)(=O)O1,10.0,1bxo_protein.pt,1bxo_pocket.pt,1bxo_ligand.pt
1n4k,O=P(=O)(=O)OC1C(O)C(O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,10.05,1n4k_protein.pt,1n4k_pocket.pt,1n4k_ligand.pt
1y6q,CSCC1C[NH+](CC2=CNC3C2=NC=NC=3N)CC1O,11.7,1y6q_protein.pt,1y6q_pocket.pt,1y6q_ligand.pt
4yrd,CC(C)=C1C=CC=CC(=O)C1=O,4.57,4yrd_protein.pt,4yrd_pocket.pt,4yrd_ligand.pt
3lka,COC1C=CC(=CC=1)S(N)(=O)=O,2.82,3lka_protein.pt,3lka_pocket.pt,3lka_ligand.pt
4oct,O=C([O-])CCC(=O)C(=O)[O-],5.05,4oct_protein.pt,4oct_pocket.pt,4oct_ligand.pt
5g45,NC1=CC=CC2=CC(O)=CN=C12,3.3,5g45_protein.pt,5g45_pocket.pt,5g45_ligand.pt
4re4,OCC1C[NH2+]CC(O)C1O,6.87,4re4_protein.pt,4re4_pocket.pt,4re4_ligand.pt
5ov8,CC(C)CC1C=CC(=CC=1)S(=O)(=O)NC1=CC2=C(C=C1N1CCCC1)N(C)C(=O)C(=O)N2C,4.74,5ov8_protein.pt,5ov8_pocket.pt,5ov8_ligand.pt
4ipi,O=C([O-])CC(O)C(=O)[O-],5.32,4ipi_protein.pt,4ipi_pocket.pt,4ipi_ligand.pt
3sha,[NH3+]C(CC1C=CC=CC=1)C(=O)N1CCCC1C(=O)NCC1=CN=CC=C1Cl,5.59,3sha_protein.pt,3sha_pocket.pt,3sha_ligand.pt
3el9,COC(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C[NH+](CC1C=CC(=CC=1)C1=CC=CC=N1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C,8.4,3el9_protein.pt,3el9_pocket.pt,3el9_ligand.pt
5nw2,CC1N=CSC=1C1C=CC(=CC=1)CNC(=O)C1CC(O)CN1C(=O)C(NC(=O)C1COC1)C(C)(C)C,6.49,5nw2_protein.pt,5nw2_pocket.pt,5nw2_ligand.pt
4zae,CC1=CC2N=C(NC=2C=C1C)C(CNC(=O)C1C(Cl)=CC(=CC=1Cl)N1C=NN=C1)C1C=CC=CC=1,8.44,4zae_protein.pt,4zae_pocket.pt,4zae_ligand.pt
3cj5,CC1CC(C)CN(C1)C(=O)C1=CC(Br)=CC=C1NC(=O)CCC(=O)N1CCOCC1,6.34,3cj5_protein.pt,3cj5_pocket.pt,3cj5_ligand.pt
2w67,CC(=O)NC1C[NH2+]CC(O)C(O)C1O,4.96,2w67_protein.pt,2w67_pocket.pt,2w67_ligand.pt
5mwh,CC(C)CC1C=CC(=CC=1)S(=O)(=O)NC1=CC2=C(C=C1N1CCOCC1)N(C)C(=O)C(=O)N2C,5.74,5mwh_protein.pt,5mwh_pocket.pt,5mwh_ligand.pt
4az6,CC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,9.1,4az6_protein.pt,4az6_pocket.pt,4az6_ligand.pt
2vh0,C[NH+](C)CC1=NC=CN1C1C=C(F)C(=CC=1)N1CCC(NS(=O)(=O)C=CC2=CC=C(Cl)S2)C1=O,8.51,2vh0_protein.pt,2vh0_pocket.pt,2vh0_ligand.pt
4dv8,COC(CC(CCCC[NH2+]CC1C=CC(F)=CC=1)C(=O)NO)C1C=CC(F)=CC=1,9.24,4dv8_protein.pt,4dv8_pocket.pt,4dv8_ligand.pt
3n9r,O=C(COP(=O)(=O)=O)N(O)CCCCO,7.15,3n9r_protein.pt,3n9r_pocket.pt,3n9r_ligand.pt
3veh,CC=C(OC1=CCCC(C(=O)[O-])C1O)C(=O)[O-],4.96,3veh_protein.pt,3veh_pocket.pt,3veh_ligand.pt
1yc4,CCC1C=C(C(O)=CC=1O)C1NN=CC=1C1=CNC=N1,6.55,1yc4_protein.pt,1yc4_pocket.pt,1yc4_ligand.pt
3s2v,[NH3+]C(CN1C(=O)N(CC2C=CSC=2C(=O)[O-])C(=O)C2=CSC=C21)C(=O)[O-],6.8,3s2v_protein.pt,3s2v_pocket.pt,3s2v_ligand.pt
5aa9,CC1OC2C=C(C=NC=2N)C2C(CN(C)C(=O)C3C=CC(F)=CC=31)=NN(C)C=2C#N,8.19,5aa9_protein.pt,5aa9_pocket.pt,5aa9_ligand.pt
1mtr,CCC(C)C1NC(=O)C(CC2C=CC(=CC=2)OCCCNC1=O)[NH2+]CC(O)C(CC1C=CC=CC=1)NC(=O)OC(C)(C)C,8.4,1mtr_protein.pt,1mtr_pocket.pt,1mtr_ligand.pt
1fkw,OCC1OC(C(O)C1O)N1C=NC2C=NC=NC=21,5.05,1fkw_protein.pt,1fkw_pocket.pt,1fkw_ligand.pt
6eij,O=C(NCC[NH+]1CCOCC1)NC1=CC=CC(=C1)C1C=CC2N=C(NC(=O)C3C=C3)SC=2N=1,5.77,6eij_protein.pt,6eij_pocket.pt,6eij_ligand.pt
6h34,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CC[NH+](CC1)CC1C=CC(F)=CC=1,9.3,6h34_protein.pt,6h34_pocket.pt,6h34_ligand.pt
6eog,OCC1OC(SC2C=C(Cl)C=CC=2)C(O)C(C1O)N1C=C(N=N1)C1C=C(F)C(F)=C(F)C=1,5.8,6eog_protein.pt,6eog_pocket.pt,6eog_ligand.pt
3re4,N#CC1=CN(C2=NC=NC(N)=C12)C1OC(CO)C(O)C1O,7.4,3re4_protein.pt,3re4_pocket.pt,3re4_ligand.pt
3e6y,COCC1OC(OC2C3=C(CCC3(C)C=C3C(CCC3(O)COC)C(C)C2O)C(C)C)C(O)C2OC3OC12OC3(C)CCOC=O,5.6,3e6y_protein.pt,3e6y_pocket.pt,3e6y_ligand.pt
2q38,O=C1NS(=O)(=O)C2C=CC=CC=21,5.23,2q38_protein.pt,2q38_pocket.pt,2q38_ligand.pt
2zkj,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.48,2zkj_protein.pt,2zkj_pocket.pt,2zkj_ligand.pt
1lvu,CC(CN1C=NC2C(N)=NC(N)=NC=21)OCP(=O)(=O)=O,5.32,1lvu_protein.pt,1lvu_pocket.pt,1lvu_ligand.pt
5vo1,CC(C)N1N=C(C=C1C1C2C[NH+](CC21)C1COC1)C1=CN=C(N)C(=C1)C(F)(F)F,8.15,5vo1_protein.pt,5vo1_pocket.pt,5vo1_ligand.pt
5aol,NC1C=C(C=C(Br)C=1N)C(F)(F)F,2.32,5aol_protein.pt,5aol_pocket.pt,5aol_ligand.pt
5d24,CCC1=C(NC(C)=C1C(C)=O)C(=O)NC1C=CC=C(C=1)OCC(N)=O,5.24,5d24_protein.pt,5d24_pocket.pt,5d24_ligand.pt
5mlj,CN1N=CC(=NC2CC(C[NH+](C)C2)C2C=CC=CC=2)C(Br)C1=O,8.85,5mlj_protein.pt,5mlj_pocket.pt,5mlj_ligand.pt
3juk,O=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OC2OC(CO)C(O)C(O)C2O)C(O)C1O,4.89,3juk_protein.pt,3juk_pocket.pt,3juk_ligand.pt
2pov,NC1=CC(Cl)=C(C=C1S(N)(=O)=O)S(N)(=O)=O,7.12,2pov_protein.pt,2pov_pocket.pt,2pov_ligand.pt
4btk,COC1=CC2=NC=NC(NC3C=CC=C(O)C=3)=C2C=C1OC,6.62,4btk_protein.pt,4btk_pocket.pt,4btk_ligand.pt
3lir,NC(=O)C(CCC(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)CCC1=CC(=NO1)C1C=CC=CC=1,6.92,3lir_protein.pt,3lir_pocket.pt,3lir_ligand.pt
4ayp,COC1OC(CO)C(O)C(O)C1SC1OC(CO)C(O)C(O)C1O,6.12,4ayp_protein.pt,4ayp_pocket.pt,4ayp_ligand.pt
4agq,CC[NH+](CC)C1CC[NH+](CC1)CC1=CC(C#CCNC2C=CC=CC=2)=CC(I)=C1O,5.01,4agq_protein.pt,4agq_pocket.pt,4agq_ligand.pt
5fdc,NS(=O)(=O)NCC1=CSC2C=CC=CC=21,7.46,5fdc_protein.pt,5fdc_pocket.pt,5fdc_ligand.pt
4azi,CC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,7.45,4azi_protein.pt,4azi_pocket.pt,4azi_ligand.pt
4abe,[NH3+]CC1=CC=CC(=C1)N1C=CC=N1,3.4,4abe_protein.pt,4abe_pocket.pt,4abe_ligand.pt
1swr,O=C([O-])CCCCC1SCC2NC(=O)NC21,6.92,1swr_protein.pt,1swr_pocket.pt,1swr_ligand.pt
4ish,COC1C=C(C(=CC=1O)C1C=CC(=CC=1)C(=O)[O-])C1NC2=CC=C(C=C2C2C3C=CC=CC=3CC12)C(N)=[NH2+],8.72,4ish_protein.pt,4ish_pocket.pt,4ish_ligand.pt
5var,C[NH+](C)CC1C2CCC(C2)(C2C=CC=CC=2)C1O,4.09,5var_protein.pt,5var_pocket.pt,5var_ligand.pt
1w5v,O=C(NC1C2=CC=CC=C2CC1O)C(OCC1C=C(F)C=CC=1)C(O)C(O)C(OCC1C=CC=C(F)C=1)C(=O)NC1C2=CC=CC=C2CC1O,8.15,1w5v_protein.pt,1w5v_pocket.pt,1w5v_ligand.pt
2i4z,CCCCCCCN(CCC1C=CC(=CC=1)OC(C)(CC)C(=O)[O-])C1=NC2=CC=CC=C2O1,5.7,2i4z_protein.pt,2i4z_pocket.pt,2i4z_ligand.pt
1gai,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1[NH2+]C1CC(CO)C(O)C(O)C1O,8.0,1gai_protein.pt,1gai_pocket.pt,1gai_ligand.pt
5k8s,NC1=NC=NC2=C1N=CN2C1OC2CO[P](=O)(=O)OC2C1O,8.22,5k8s_protein.pt,5k8s_pocket.pt,5k8s_ligand.pt
3iww,C=CCC(NC(=O)NC(CCCCNC(=O)C1C=CC(I)=CC=1)C(=O)[O-])C(=O)[O-],7.96,3iww_protein.pt,3iww_pocket.pt,3iww_ligand.pt
2j7d,COC(O)C1=CN2C(=N1)C(O)C(O)C(O)C2CO,7.13,2j7d_protein.pt,2j7d_pocket.pt,2j7d_ligand.pt
4u43,C1=CC(=CN=C1)NC1=NC=NN2C=CC=C12,4.32,4u43_protein.pt,4u43_pocket.pt,4u43_ligand.pt
4kni,CC1=CC(C)=NC(=N1)SCC(=O)C1C=C(Cl)C(=CC=1)S(N)(=O)=O,7.78,4kni_protein.pt,4kni_pocket.pt,4kni_ligand.pt
1v2o,COC(=O)C(CC1=CC=CC(=C1)[C+](=N)=N)NC(=O)CNS(=O)(=O)C1C=CC(C)=CC=1,4.73,1v2o_protein.pt,1v2o_pocket.pt,1v2o_ligand.pt
2w4x,CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,4.85,2w4x_protein.pt,2w4x_pocket.pt,2w4x_ligand.pt
5aoj,O=C([O-])C1=CC(I)=C(C(I)=C1O)N1C=CC=C1,4.68,5aoj_protein.pt,5aoj_pocket.pt,5aoj_ligand.pt
4h42,NC1=NC2=CC=C(C=C2S1)C(=O)NCC(=O)[O-],3.47,4h42_protein.pt,4h42_pocket.pt,4h42_ligand.pt
4wk1,NC1=NC=NC2=C1N=CN2C1OC2CO[P](=O)(=O)OC3C(CO[P](=O)(=O)OC2C1O)OC(C3O)N1C=NC2C(N)=NC=NC=21,5.89,4wk1_protein.pt,4wk1_pocket.pt,4wk1_ligand.pt
3g0w,CC1=C(C=CC(C#N)=C1Cl)N=C1OC(C2C(O)CCN12)C(F)(F)F,9.52,3g0w_protein.pt,3g0w_pocket.pt,3g0w_ligand.pt
5dqe,O=C([O-])C1=CC=CC=C1NC1C=CC=C(Br)C=1,3.63,5dqe_protein.pt,5dqe_pocket.pt,5dqe_ligand.pt
4og4,N#CC1C=CC(=CC=1)OCCC[NH+]1CCC(CC1)C(O)(C1C=CC=CC=1)C1CCCC1,6.02,4og4_protein.pt,4og4_pocket.pt,4og4_ligand.pt
3n2u,COC1C=CC(=CC=1)S(=O)(=O)N(CCOC1OC(CO)C(O)C(O)C1O)CC(=O)NO,7.84,3n2u_protein.pt,3n2u_pocket.pt,3n2u_ligand.pt
1rnt,NC1=NC2=C(N=CN2C2OC(CO)C(O)C2OP(=O)(=O)=O)C(=O)N1,5.19,1rnt_protein.pt,1rnt_pocket.pt,1rnt_ligand.pt
4k0o,COC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O,3.0,4k0o_protein.pt,4k0o_pocket.pt,4k0o_ligand.pt
5yz2,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,4.95,5yz2_protein.pt,5yz2_pocket.pt,5yz2_ligand.pt
2w26,O=C(NCC1CN(C(=O)O1)C1C=CC(=CC=1)N1CCOCC1=O)C1=CC=C(Cl)S1,9.4,2w26_protein.pt,2w26_pocket.pt,2w26_ligand.pt
4kif,O=C([O-])C(=O)CC1C=CC=CC=1,4.84,4kif_protein.pt,4kif_pocket.pt,4kif_ligand.pt
2gv7,CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NC(CC1C=CC=C(C=1)C(N)=[NH2+])C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=[NH2+])C(C)C,7.85,2gv7_protein.pt,2gv7_pocket.pt,2gv7_ligand.pt
5evd,CC1(C)SC2CSC(CS)[NH+]2C1C(=O)[O-],5.0,5evd_protein.pt,5evd_pocket.pt,5evd_ligand.pt
4hbm,CCC(CO)N1C(=O)C(CC(=O)[O-])CC(C2C=C(Cl)C=CC=2)C1C1C=CC(Cl)=CC=1,7.92,4hbm_protein.pt,4hbm_pocket.pt,4hbm_ligand.pt
2ha2,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,4.66,2ha2_protein.pt,2ha2_pocket.pt,2ha2_ligand.pt
5org,CC([NH2+]C(CCCNC(N)=[NH2+])C(=O)[O-])C(=O)[O-],8.4,5org_protein.pt,5org_pocket.pt,5org_ligand.pt
3zlr,[NH3+]CC1C=CC(=CC=1)OCCCC1SC(=NC=1C(=O)[O-])C1=CC=C2CCCC(=NNC3=NC4=CC=CC=C4S3)C2=C1,9.26,3zlr_protein.pt,3zlr_pocket.pt,3zlr_ligand.pt
5yhg,CC([NH2+]C(CC[NH2+]C(CC1=CN=CN1)C(=O)[O-])C(=O)[O-])C(=O)[O-],6.02,5yhg_protein.pt,5yhg_pocket.pt,5yhg_ligand.pt
5upf,CC(C)(O)C(=O)N1CCC(CC1)C1C=CC(=CC=1)NC(=O)N1C=C2C=CC(F)=CC2=C1,8.6,5upf_protein.pt,5upf_pocket.pt,5upf_ligand.pt
1jlr,NC1=NC2=C(N=CN2C2OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C2O)C(=O)N1,3.33,1jlr_protein.pt,1jlr_pocket.pt,1jlr_ligand.pt
1m5w,CC(=O)C(O)C(O)COP(=O)(=O)=O,4.27,1m5w_protein.pt,1m5w_pocket.pt,1m5w_ligand.pt
1uwu,O=NC1[NH2+]C(CO)C(O)C(O)C1O,5.98,1uwu_protein.pt,1uwu_pocket.pt,1uwu_ligand.pt
2exm,CC(C)=CCNC1N=CN=C2NC=NC=12,4.11,2exm_protein.pt,2exm_pocket.pt,2exm_ligand.pt
1igj,CC1OC(CC(O)C1O)OC1CCC2(C)C(CCC3C2CC(O)C2(C)C(CCC32O)C2=CC(=O)OC2)C1,10.0,1igj_protein.pt,1igj_pocket.pt,1igj_ligand.pt
1bq4,O=C([O-])C1=C(C(=O)[O-])C(C(=O)[O-])=C(C(=O)[O-])C(C(=O)[O-])=C1C(=O)[O-],5.22,1bq4_protein.pt,1bq4_pocket.pt,1bq4_ligand.pt
5msb,NS(=O)(=O)C1C(F)=C(F)C(=C(F)C=1F)S(=O)(=O)CCO,7.46,5msb_protein.pt,5msb_pocket.pt,5msb_ligand.pt
3jrx,COC1C=CC(C)C2OC(O)(C(C)C(=O)OC(CCCCC1OC)C1C=CC=CC=1)C(OC)C(O)C2C,9.0,3jrx_protein.pt,3jrx_pocket.pt,3jrx_ligand.pt
1ecv,O=C([O-])C(=O)NC1=CC=C(I)C=C1C(=O)[O-],4.85,1ecv_protein.pt,1ecv_pocket.pt,1ecv_ligand.pt
5u12,NC1=NC2NC(=NC=2C(=O)N1)SCC1=CC=CC=C1F,5.07,5u12_protein.pt,5u12_pocket.pt,5u12_ligand.pt
3zyf,O=[N+]([O-])C1C=CC(=CC=1)OC1OC(CO)C(O)C(O)C1O,4.85,3zyf_protein.pt,3zyf_pocket.pt,3zyf_ligand.pt
1n5r,CC[N+](C)(CC)CCC[N+]1C2C=C(N)C=CC=2C2=CC=C(N)C=C2C=1C1C=CC=CC=1,5.66,1n5r_protein.pt,1n5r_pocket.pt,1n5r_ligand.pt
1fkg,CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC1C=CC=CC=1)C1C=CC=CC=1,8.0,1fkg_protein.pt,1fkg_pocket.pt,1fkg_ligand.pt
4abd,[NH3+]CC1=CC=CC(=C1)N1C=CC=C1,4.4,4abd_protein.pt,4abd_pocket.pt,4abd_ligand.pt
5acy,CC(=O)N1C2C=CC(=CC=2C(CC1C)NC1C=CC=CC=1)C1C=CC(=CC=1)C[NH+]1CCCCC1,8.19,5acy_protein.pt,5acy_pocket.pt,5acy_ligand.pt
3fuc,N=[C+]1NC(=O)C2NC=C(CCCCC(F)(F)P(=O)(=O)=O)C=2N1,9.72,3fuc_protein.pt,3fuc_pocket.pt,3fuc_ligand.pt
1atl,COC1C=CC(=CC=1)CC(NC(=O)C(CS)CC(C)C)C(=O)[O-],6.28,1atl_protein.pt,1atl_pocket.pt,1atl_ligand.pt
2avo,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC=NC=1,8.85,2avo_protein.pt,2avo_pocket.pt,2avo_ligand.pt
2aod,CCCCC(C[NH2+]C(CCCC)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=[NH2+])C(N)=O)NC(=O)C(NC(=O)C(NC(C)=O)C(C)OC)C(C)CC,5.66,2aod_protein.pt,2aod_pocket.pt,2aod_ligand.pt
5o9q,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(C3O)N3C=C(COCC4C=CC=CC=4)N=N3)C2O)C(O)C(O)C1O,5.21,5o9q_protein.pt,5o9q_pocket.pt,5o9q_ligand.pt
5k1f,O=C1NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,4.79,5k1f_protein.pt,5k1f_pocket.pt,5k1f_ligand.pt
4uj1,O=C1N=CNC2=CC(=CC=C12)C1C[NH2+]CC1C(=O)C1C=CC=C(Cl)C=1,6.52,4uj1_protein.pt,4uj1_pocket.pt,4uj1_ligand.pt
5l9i,NC(=O)CCC([NH2+]CC1(O)OCC(O)C(O)C1O)C(=O)[O-],7.0,5l9i_protein.pt,5l9i_pocket.pt,5l9i_ligand.pt
6f90,OCC1C(O)C(O)C(O)C2=NC=CN21,6.0,6f90_protein.pt,6f90_pocket.pt,6f90_ligand.pt
3cf8,O=C1C(O)=C(OC2C=C(O)C=C(O)C=21)C1C=C(O)C(O)=CC=1,4.9,3cf8_protein.pt,3cf8_pocket.pt,3cf8_ligand.pt
1syi,[NH3+]C(CN1C(=O)NC(=O)C2CCCC=21)C(=O)[O-],5.44,1syi_protein.pt,1syi_pocket.pt,1syi_ligand.pt
2aac,CC1OC(O)C(O)C(O)C1O,2.22,2aac_protein.pt,2aac_pocket.pt,2aac_ligand.pt
4non,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.24,4non_protein.pt,4non_pocket.pt,4non_ligand.pt
1mfi,O=C([O-])C(F)=CC1C=CC(O)=CC=1,5.59,1mfi_protein.pt,1mfi_pocket.pt,1mfi_ligand.pt
5t8p,NC(=O)C1C=CC2OCCC3C=CSC=3C=2N=1,5.89,5t8p_protein.pt,5t8p_pocket.pt,5t8p_ligand.pt
5amg,CCCCCNS(=O)(=O)C1=CC(=CC=C1C(=O)[O-])S(N)(=O)=O,8.22,5amg_protein.pt,5amg_pocket.pt,5amg_ligand.pt
4avi,COC(=O)CCCCCCCCOC1OC(CO)C(O)C(O)C1O,7.63,4avi_protein.pt,4avi_pocket.pt,4avi_ligand.pt
4phu,CC1=CC(=CC(C)=C1C1C=CC=C(C=1)COC1C=CC2=C(C=1)OCC2CC(=O)[O-])OCCCS(C)(=O)=O,7.92,4phu_protein.pt,4phu_pocket.pt,4phu_ligand.pt
6b98,CNC1N=C(Cl)N=C2C=1C=NN2C,4.65,6b98_protein.pt,6b98_pocket.pt,6b98_ligand.pt
3b4p,O=C([O-])C1=CC=CC=C1NC1CCCCC1,5.4,3b4p_protein.pt,3b4p_pocket.pt,3b4p_ligand.pt
4ogj,CC1C=NC(=NC=1NC1C=CC=C(C=1)S(=O)(=O)NC(C)(C)C)NC1C=CC(=CC=1)OCC[NH+]1CCCC1,6.79,4ogj_protein.pt,4ogj_pocket.pt,4ogj_ligand.pt
4j93,O=C1NC(C2C=CC=NC=2)C2C1=NNC=2C1C=CC=CC=1,4.7,4j93_protein.pt,4j93_pocket.pt,4j93_ligand.pt
4e6d,N#CCC(=O)N1CCCC(C1)N1C=NC2=CN=C3NC=CC3=C21,8.92,4e6d_protein.pt,4e6d_pocket.pt,4e6d_ligand.pt
5d6j,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.44,5d6j_protein.pt,5d6j_pocket.pt,5d6j_ligand.pt
3hv8,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC2CO[P](=O)(=O)OC3C(CO[P](=O)(=O)OC2C1O)OC(C3O)N1C=NC2C(=O)N[C+](=N)NC=21,6.98,3hv8_protein.pt,3hv8_pocket.pt,3hv8_ligand.pt
4nxu,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.54,4nxu_protein.pt,4nxu_pocket.pt,4nxu_ligand.pt
1g3e,CC(N=CC1=CC=C(C=C1O)C(N)=[NH2+])C(=O)[O-],5.38,1g3e_protein.pt,1g3e_pocket.pt,1g3e_ligand.pt
1usk,CC(C)CC([NH3+])C(=O)[O-],6.4,1usk_protein.pt,1usk_pocket.pt,1usk_ligand.pt
2qi6,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)C1C=C(O)C=CC=1)S(=O)(=O)C1C=CC2N=CSC=2C=1,10.57,2qi6_protein.pt,2qi6_pocket.pt,2qi6_ligand.pt
4rfd,NS(=O)(=O)C1C=CC(=CC=1)OCCCC[NH3+],8.05,4rfd_protein.pt,4rfd_pocket.pt,4rfd_ligand.pt
1dar,NC1=NC2=C(N=CN2C2OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C2O)C(=O)N1,4.96,1dar_protein.pt,1dar_pocket.pt,1dar_ligand.pt
1bm7,O=C([O-])C1C=CC=CC=1NC1C=CC=C(C=1)C(F)(F)F,7.52,1bm7_protein.pt,1bm7_pocket.pt,1bm7_ligand.pt
4ai5,CN1C=NC(N)=C2N=CN=C21,2.92,4ai5_protein.pt,4ai5_pocket.pt,4ai5_ligand.pt
1mq6,COC1C=C(Cl)C=C(C(=O)NC2C=CC(Cl)=CN=2)C=1NC(=O)C1SC=C(CN(C)C2=NCCO2)C=1Cl,11.15,1mq6_protein.pt,1mq6_pocket.pt,1mq6_ligand.pt
3mi3,[NH3+]CCCCC([NH3+])C(=O)[O-],5.45,3mi3_protein.pt,3mi3_pocket.pt,3mi3_ligand.pt
1e6s,OCC1NC(=NO)C(O)C(O)C1O,3.22,1e6s_protein.pt,1e6s_pocket.pt,1e6s_ligand.pt
5ehq,NC1=CC=C2C(=C1)N(CCCCCC1=CN(CCNC3C4=CC=CC=C4N=C4C=CC=CC=34)N=N1)C(C1C=CC=CC=1)C1C=C(N)C=CC=12,10.48,5ehq_protein.pt,5ehq_pocket.pt,5ehq_ligand.pt
2bo4,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-],4.61,2bo4_protein.pt,2bo4_pocket.pt,2bo4_ligand.pt
4hwo,CC(O)C([NH3+])C(=O)NS(=O)(=O)C1C=C(C=CC=1)C1=CC=C2C(=C1)N=CN=C2N,8.54,4hwo_protein.pt,4hwo_pocket.pt,4hwo_ligand.pt
3hp9,COC1=CC=C(NC2C=C(C=CC=2Cl)C(F)(F)F)C(=C1)C(=O)[O-],4.59,3hp9_protein.pt,3hp9_pocket.pt,3hp9_ligand.pt
2f6t,CNC(=O)C1CC2=CC=C(C=C2CN1C(=O)OC(C)(C)C)NS(=O)(=O)[O-],4.62,2f6t_protein.pt,2f6t_pocket.pt,2f6t_ligand.pt
1atr,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.96,1atr_protein.pt,1atr_pocket.pt,1atr_ligand.pt
1owh,N=[C+](=N)C1C=CC2=CC(=CC=C2C=1)C(=O)NC1C=CC(=CC=1)C[NH3+],7.4,1owh_protein.pt,1owh_pocket.pt,1owh_ligand.pt
2p2a,[NH3+]C(CC1C(=O)NOC=1C1N=NN(CC2C=CC=CC=2)N=1)C(=O)[O-],6.12,2p2a_protein.pt,2p2a_pocket.pt,2p2a_ligand.pt
1c70,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1=CC2C=CC=CC=2O1,10.3,1c70_protein.pt,1c70_pocket.pt,1c70_ligand.pt
1v2w,COC(=O)C(CC1=CC=CC(=C1)[C+](=N)=N)NC(=O)CNS(=O)(=O)C1C=CC(C)=CC=1,4.01,1v2w_protein.pt,1v2w_pocket.pt,1v2w_ligand.pt
4xu2,NC1=NC=NC2=C1N=CN2C1OC(CNS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)CC1O,9.23,4xu2_protein.pt,4xu2_pocket.pt,4xu2_ligand.pt
5fck,CC(NC(=O)C1CC2CC2N1C(=O)CN1N=C(C(N)=O)C2C=CN=CC=21)C1C=CC=C(Cl)C=1F,8.22,5fck_protein.pt,5fck_pocket.pt,5fck_ligand.pt
4elg,COC1C=C(C=C(C=CC(=O)N2[NH2+]CC3C=CC=CC=3C2CC(C)C)C=1OC)CC1C=NC(N)=NC=1N,8.16,4elg_protein.pt,4elg_pocket.pt,4elg_ligand.pt
4bak,CCCNC(=O)C[NH2+]C(C(=O)N1CCC1C(=O)NCC1C=CC(=CC=1)[C+](=N)=N)C1CCCCC1,8.91,4bak_protein.pt,4bak_pocket.pt,4bak_ligand.pt
3vhc,CC1=CC(C)=C2C=C1C(=O)NCCCOC1C=CC=C(C=1)SC1C=C2N=C(N)N=1,8.89,3vhc_protein.pt,3vhc_pocket.pt,3vhc_ligand.pt
6eyt,O=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.72,6eyt_protein.pt,6eyt_pocket.pt,6eyt_ligand.pt
3ldp,NC1N=CN=C2C=1N=C(NCC1C=CC3C=CC=CC=3N=1)N2C1OC(CO)C(O)C1O,5.62,3ldp_protein.pt,3ldp_pocket.pt,3ldp_ligand.pt
5efc,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.85,5efc_protein.pt,5efc_pocket.pt,5efc_ligand.pt
3t5u,O=S(=O)(NO)C1C=CC=CC=1,7.59,3t5u_protein.pt,3t5u_pocket.pt,3t5u_ligand.pt
3g0e,CC1NC(C=C2C(=O)NC3C=CC(F)=CC=32)=C(C)C=1C(N)=O,7.7,3g0e_protein.pt,3g0e_pocket.pt,3g0e_ligand.pt
4kwf,O=C1C(=O)N(CC2C=CC=CC=2)C2C=CC=CC=21,4.82,4kwf_protein.pt,4kwf_pocket.pt,4kwf_ligand.pt
1cny,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCCOCCOCCNC(=O)C([NH3+])CC1C=CC=CC=1,7.85,1cny_protein.pt,1cny_pocket.pt,1cny_ligand.pt
1km3,O=C1C=NN(C(=O)N1)C1OC(COP(=O)(=O)=O)C(O)C1O,4.91,1km3_protein.pt,1km3_pocket.pt,1km3_ligand.pt
3mmf,NS(=O)(=O)C1C=CC(=CC=1)NC1N=C(Cl)N=C(N=1)NCCO,7.43,3mmf_protein.pt,3mmf_pocket.pt,3mmf_ligand.pt
1g54,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC1C(F)=C(F)C(F)=C(F)C=1F,8.82,1g54_protein.pt,1g54_pocket.pt,1g54_ligand.pt
2ypo,[NH3+]C(CC1C=CC=CC=1)C(=O)[O-],4.68,2ypo_protein.pt,2ypo_pocket.pt,2ypo_ligand.pt
2wej,NS(=O)(=O)C1C=CC=CC=1,6.08,2wej_protein.pt,2wej_pocket.pt,2wej_ligand.pt
4poh,CC(=CC=CC(C)=CC(=O)[O-])C=C1CCCC2C=CC=C(C)C=21,8.0,4poh_protein.pt,4poh_pocket.pt,4poh_ligand.pt
5etj,N=[C+]1NC(=O)C2NC=C(C[NH+]3CC(O)C(CO)C3)C=2N1,10.18,5etj_protein.pt,5etj_pocket.pt,5etj_ligand.pt
3d8z,CC1=CN(C(=O)NC1=O)C1CC(O)C(C[NH+]2CCCC2)O1,3.37,3d8z_protein.pt,3d8z_pocket.pt,3d8z_ligand.pt
4gfo,O=C1CC(=CC=N1)NC(=O)C1C(Cl)=CC=CC=1Cl,6.62,4gfo_protein.pt,4gfo_pocket.pt,4gfo_ligand.pt
1qbs,O=C1N(CC2C=CC(=CC=2)CO)C(CC2C=CC=CC=2)C(O)C(O)C(CC2C=CC=CC=2)N1CC1C=CC(=CC=1)CO,9.47,1qbs_protein.pt,1qbs_pocket.pt,1qbs_ligand.pt
3g2z,O=C1C=C(CCC1)NC1=NN=NN1,2.36,3g2z_protein.pt,3g2z_pocket.pt,3g2z_ligand.pt
4abh,[NH3+]CC1=CC=CC(=C1)N1CCCC1,4.15,4abh_protein.pt,4abh_pocket.pt,4abh_ligand.pt
3cct,CC(C)C1=C(C(=O)NC2C=CC=CC=2O)C(C2C=CC=CC=2)=C(C2C=CC(F)=CC=2)N1CCC(O)CC(O)CC(=O)[O-],7.56,3cct_protein.pt,3cct_pocket.pt,3cct_ligand.pt
4kqp,NC(=O)CCC([NH3+])C(=O)[O-],6.05,4kqp_protein.pt,4kqp_pocket.pt,4kqp_ligand.pt
2hu6,O=C(NCC1C=CC(=CC=1)C1C=CC=CC=1)C1OC2CN(CC1O2)C(=O)NO,3.81,2hu6_protein.pt,2hu6_pocket.pt,2hu6_ligand.pt
6ayr,CCCCSCC1C[NH+](CC2=CNC3C(N)=NC=NC=32)CC1O,8.39,6ayr_protein.pt,6ayr_pocket.pt,6ayr_ligand.pt
1g36,CC1=NC2C=CC=CC=2N1CC1C=CC2=C(C=1)N=C(CNC1C=CC(=CC=1)[C+](=N)=N)N2C,7.17,1g36_protein.pt,1g36_pocket.pt,1g36_ligand.pt
6dar,COC1C=CC=C(C=1)C(=O)N(CC1=CC=CC(=C1)C1=CN2CCCC2=N1)CC1CC1,6.66,6dar_protein.pt,6dar_pocket.pt,6dar_ligand.pt
3nu6,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,9.3,3nu6_protein.pt,3nu6_pocket.pt,3nu6_ligand.pt
4b5s,CC(=O)C(=O)[O-],3.49,4b5s_protein.pt,4b5s_pocket.pt,4b5s_ligand.pt
3k8c,O=C(NO)C(O)C(O)COP(=O)(=O)=O,2.92,3k8c_protein.pt,3k8c_pocket.pt,3k8c_ligand.pt
4agp,CC[NH+](CC)C1CC[NH+](CC1)CC1=CC(C#CCOC2C=CC=CC=2)=CC(I)=C1O,4.69,4agp_protein.pt,4agp_pocket.pt,4agp_ligand.pt
4avj,OCC1=CN(CCC2C=CC(=CC=2)OC2OC(CO)C(O)C(O)C2O)N=N1,7.44,4avj_protein.pt,4avj_pocket.pt,4avj_ligand.pt
5zag,NC(=[NH2+])NC(=O)C1=NC(C2C=NC=NC=2)=C(N=C1N)N1CCCCCC1,6.97,5zag_protein.pt,5zag_pocket.pt,5zag_ligand.pt
5dbm,CC1CC(=O)NC2=CC=CC(C3C=NN(C=3)C(C)(C)C)=C2N1,6.46,5dbm_protein.pt,5dbm_pocket.pt,5dbm_ligand.pt
1rp7,CC1=NC=C(CN2C(=O)SC(CCO[P](=O)(=O)OP(=O)(=O)=O)=C2C)C(N)=N1,8.52,1rp7_protein.pt,1rp7_pocket.pt,1rp7_ligand.pt
4oag,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.3,4oag_protein.pt,4oag_pocket.pt,4oag_ligand.pt
2xc0,COC1=CC=C(C=C1F)NC(=O)C1CN(CC1C(=O)NC1C=CC(=CC=1F)N1C=CC=CC1=O)S(C)(=O)=O,6.72,2xc0_protein.pt,2xc0_pocket.pt,2xc0_ligand.pt
6fmj,CC(=O)NC(C)C(=S)N1CC(O)CC1C(=O)NCC1C=CC(=CC=1)C1SC=NC=1C,6.12,6fmj_protein.pt,6fmj_pocket.pt,6fmj_ligand.pt
6f28,C[NH+]1CC2C(=O)NC(=O)N(CC([NH3+])C(=O)[O-])C=2C1,5.67,6f28_protein.pt,6f28_pocket.pt,6f28_ligand.pt
3m8u,[NH3+]C(CCC(=O)NC(CSSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-],4.89,3m8u_protein.pt,3m8u_pocket.pt,3m8u_ligand.pt
5l4m,O=C([O-])COC1=NC(Cl)=C(Cl)C=C1Cl,5.34,5l4m_protein.pt,5l4m_pocket.pt,5l4m_ligand.pt
3c2o,O=C([O-])C1=CC=CN=C1C(=O)[O-],3.35,3c2o_protein.pt,3c2o_pocket.pt,3c2o_ligand.pt
1loq,O=C1C=CN(C(=O)N1)C1OC(COP(=O)(=O)=O)C(O)C1O,3.7,1loq_protein.pt,1loq_pocket.pt,1loq_ligand.pt
3vha,CC1=CC=C2C=C1C1=CC(=NC(N)=N1)SC1C=C(C=CC=1)OCCCCO2,7.4,3vha_protein.pt,3vha_pocket.pt,3vha_ligand.pt
2tmn,CC(C)CC(NP(=O)(=O)=O)C(N)=O,5.89,2tmn_protein.pt,2tmn_pocket.pt,2tmn_ligand.pt
3kgp,[NH3+]CC1C=CC(=CC=1)C(=O)[O-],2.57,3kgp_protein.pt,3kgp_pocket.pt,3kgp_ligand.pt
5ia2,COC1=CC=CC=C1N1C(=CN2C1=NC1=C2C(=O)NC(=O)N1C)C1C=C(O)C=CC=1C,7.72,5ia2_protein.pt,5ia2_pocket.pt,5ia2_ligand.pt
2pwg,OC1C[NH+]2CCC(O)C2C(O)C1O,4.82,2pwg_protein.pt,2pwg_pocket.pt,2pwg_ligand.pt
1uz1,O=C1NCC(CO)C(O)C1O,6.89,1uz1_protein.pt,1uz1_pocket.pt,1uz1_ligand.pt
3l4w,OCC[NH+]1CC(O)C(O)C(O)C1CO,6.0,3l4w_protein.pt,3l4w_pocket.pt,3l4w_ligand.pt
4bcn,CNC1=NC(C)C(S1)C1=NC(=NC=C1C#N)NC1C=CC=C(O)C=1,7.92,4bcn_protein.pt,4bcn_pocket.pt,4bcn_ligand.pt
3po6,COC1C=C2CCN(C(C)C2=CC=1OC)S(N)(=O)=O,7.06,3po6_protein.pt,3po6_pocket.pt,3po6_ligand.pt
1j37,CC(CS)C(=O)N1CCCC1C(=O)[O-],8.96,1j37_protein.pt,1j37_pocket.pt,1j37_ligand.pt
2avq,CCCCC(C[NH2+]C(CCCC)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=[NH2+])C(N)=O)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)CC,4.39,2avq_protein.pt,2avq_pocket.pt,2avq_ligand.pt
4na9,NC(=[NH2+])C1C=CC2NC(CC(C3C=CC=CC=3)C=2C=1)C1C=C(N)C=C(C=1)C1=CC=CC=C1C(=O)[O-],7.39,4na9_protein.pt,4na9_pocket.pt,4na9_ligand.pt
4cjp,CC(C)CC(CNC(=O)C1C=CC=NC=1)CC1C=CC2OCOC=2C=1C(=O)[O-],3.32,4cjp_protein.pt,4cjp_pocket.pt,4cjp_ligand.pt
4w9d,CC1N=COC=1C1C=CC(=CC=1)CNC(=O)C1CC(O)CN1C(=O)CC(C)(C)C,4.99,4w9d_protein.pt,4w9d_pocket.pt,4w9d_ligand.pt
3ubd,CC(=O)OC1C(C)OC(OC2C(=O)C3C(O)=CC(O)=CC=3OC=2C2C=CC(O)=CC=2)C(O)C1OC(C)=O,5.54,3ubd_protein.pt,3ubd_pocket.pt,3ubd_ligand.pt
3coz,CC(C)C([NH3+])C(=O)NS(=O)(=O)OCC1OC(C(O)C1O)N1C=NC2C1=NC=NC=2N,5.57,3coz_protein.pt,3coz_pocket.pt,3coz_ligand.pt
3q2j,[NH3+]CCNS(=O)(=O)C1C=CC(Cl)=C2C=CN=CC=12,4.18,3q2j_protein.pt,3q2j_pocket.pt,3q2j_ligand.pt
3nq9,CCCCCCCC(=O)[O-],4.03,3nq9_protein.pt,3nq9_pocket.pt,3nq9_ligand.pt
2p53,C[P](=O)(=O)NC1C(O)OC(COP(=O)(=O)=O)C(O)C1O,7.46,2p53_protein.pt,2p53_pocket.pt,2p53_ligand.pt
4b2l,COC(=O)C([NH3+])CC1=CNC2C=CC=CC=21,3.24,4b2l_protein.pt,4b2l_pocket.pt,4b2l_ligand.pt
5z5f,OCC1OC(O)C(O)C1O,2.17,5z5f_protein.pt,5z5f_pocket.pt,5z5f_ligand.pt
5wp5,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,5.34,5wp5_protein.pt,5wp5_pocket.pt,5wp5_ligand.pt
3djv,N=C1C=CN(C(=O)N1)C1OC(CO)C(OP(=O)(=O)=O)C1O,4.55,3djv_protein.pt,3djv_pocket.pt,3djv_ligand.pt
4dff,COC1C=C2CCN3C=NC(C4=CN=CS4)=C3C2=CC=1OC,7.46,4dff_protein.pt,4dff_pocket.pt,4dff_ligand.pt
4b6r,COC1C=CC(=CC=1)CC1C(=O)C(O)C(O)CC1(O)C(=O)[O-],5.85,4b6r_protein.pt,4b6r_pocket.pt,4b6r_ligand.pt
3djx,N=[C+]1C=CN(C(=O)N1)C1OC(COP(=O)(=O)=O)C(O)C1O,2.81,3djx_protein.pt,3djx_pocket.pt,3djx_ligand.pt
2usn,O=C(CC(NC(=O)OCC1C=CC=CC=1)C1C=CC=CC=1)NC1=NN=C(S)S1,6.51,2usn_protein.pt,2usn_pocket.pt,2usn_ligand.pt
4hws,CC(O)C([NH3+])C(=O)NS(=O)(=O)C1C=C(C=CC=1)C1C=CC2C(N)=NC(Cl)=NC=2C=1,9.1,4hws_protein.pt,4hws_pocket.pt,4hws_ligand.pt
1v2u,N=[C+](=N)C1C=CC=CC=1,3.37,1v2u_protein.pt,1v2u_pocket.pt,1v2u_ligand.pt
4rqk,O=S(=O)(NC1=NC2C=CC(Cl)=CC=2S1)C1=CSC2C=CC=CC=21,5.82,4rqk_protein.pt,4rqk_pocket.pt,4rqk_ligand.pt
4f2w,CSCC1C[NH+](CC2=CNC3C2=NC=NC=3N)CC1O,11.3,4f2w_protein.pt,4f2w_pocket.pt,4f2w_ligand.pt
1ghz,N=[C+](=N)C1C=CC2NC(=NC=2C=1)C1=CC=CNC1=O,4.8,1ghz_protein.pt,1ghz_pocket.pt,1ghz_ligand.pt
2wyf,COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,4.43,2wyf_protein.pt,2wyf_pocket.pt,2wyf_ligand.pt
4m2w,CC[NH2+]C1CC(C)S(=O)(=O)C2SC(=CC=21)S(N)(=O)=O,7.28,4m2w_protein.pt,4m2w_pocket.pt,4m2w_ligand.pt
4djw,CN1C(=O)C(N[C+]1=N)(C1C=CC=CC=1)C1C=C(C=CC=1)C1C=CC=NC=1,6.28,4djw_protein.pt,4djw_pocket.pt,4djw_ligand.pt
6csp,O=C(NO)C1=CCCCC1,8.52,6csp_protein.pt,6csp_pocket.pt,6csp_ligand.pt
5j8z,CC(SC1=NC(C2C=CC(Cl)=CC=2)=C(C#N)C(=O)N1)C(=O)NC1C=CC(=CC=1)S(N)(=O)=O,8.3,5j8z_protein.pt,5j8z_pocket.pt,5j8z_ligand.pt
4w9l,CC(=O)NC(C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCC1C=CC(=CC=1)C1SC=NC=1C)C(C)(C)C)C(C)(C)C,5.02,4w9l_protein.pt,4w9l_pocket.pt,4w9l_ligand.pt
5dgw,CC[NH2+]C1COC2OCCC(OC(=O)NC(CC3C=CC=CC=3)C(O)CN(CC(C)C)S(=O)(=O)C3C=CC(=CC=3)OC)C12,11.05,5dgw_protein.pt,5dgw_pocket.pt,5dgw_ligand.pt
4acc,C[NH+](C)CCNS(=O)(=O)C1C=CC(=CC=1)C1=CN=C(N)C(=N1)C(=O)NC1C=NC=CC=1,7.7,4acc_protein.pt,4acc_pocket.pt,4acc_ligand.pt
1gnm,CC(=O)NC(CC1CCCCC1)C(O)CC(C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=[NH2+])C(N)=O)C(C)C,6.25,1gnm_protein.pt,1gnm_pocket.pt,1gnm_ligand.pt
3rm4,NC1=NC(=NN1)N1CC[NH+](CCOC2C=CC(Br)=CC=2)CC1,5.77,3rm4_protein.pt,3rm4_pocket.pt,3rm4_ligand.pt
3bkl,O=C(CCC(O)(O)C(CC1C=CC=CC=1)NC(=O)C1C=CC=CC=1)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-],6.17,3bkl_protein.pt,3bkl_pocket.pt,3bkl_ligand.pt
2wbg,CCCCCCCCN=C1OCC2C(O)C(O)C(O)C(O)N12,4.45,2wbg_protein.pt,2wbg_pocket.pt,2wbg_ligand.pt
3kyq,CCCCCCCCCCCCO[P](=O)(=O)OCC[N+](C)(C)C,4.22,3kyq_protein.pt,3kyq_pocket.pt,3kyq_ligand.pt
4cc5,ClC1=CN=CC(=N1)C1=NN=CN1,4.42,4cc5_protein.pt,4cc5_pocket.pt,4cc5_ligand.pt
4isu,O=C([O-])CC12OC3C=CC[NH2+]C3C1C(=O)NC2C(=O)[O-],3.68,4isu_protein.pt,4isu_pocket.pt,4isu_ligand.pt
5cj6,CC1C(=CC=C(C#N)C=1Cl)NC1CCCC1(C)O,8.69,5cj6_protein.pt,5cj6_pocket.pt,5cj6_ligand.pt
2r2w,NC(=[NH2+])NC1C=CC(=CC=1)CC(=O)C1C=CC=CC=1,4.47,2r2w_protein.pt,2r2w_pocket.pt,2r2w_ligand.pt
4qer,OC1C=CC(C=CC2C=C(O)C=C(O)C=2)=CC=1,7.54,4qer_protein.pt,4qer_pocket.pt,4qer_ligand.pt
1hsh,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC=NC=1,9.42,1hsh_protein.pt,1hsh_pocket.pt,1hsh_ligand.pt
4elh,COC1=CC(=CC(C=CC(=O)N2[NH2+]CC3=CC=CC=C3C2CC(C)C)=C1OC)CC1=CN=C(N)N=C1N,8.09,4elh_protein.pt,4elh_pocket.pt,4elh_ligand.pt
3r24,C[S+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,5.25,3r24_protein.pt,3r24_pocket.pt,3r24_ligand.pt
1p1o,[NH3+]C(CN1OC(=O)NC1=O)C(=O)[O-],5.76,1p1o_protein.pt,1p1o_pocket.pt,1p1o_ligand.pt
4jsa,NS(=O)(=O)C1C=CC=CC=1,4.96,4jsa_protein.pt,4jsa_pocket.pt,4jsa_ligand.pt
2yfx,CC(OC1=CC(=CN=C1N)C1C=NN(C=1)C1CC[NH2+]CC1)C1C(Cl)=CC=C(F)C=1Cl,8.09,2yfx_protein.pt,2yfx_pocket.pt,2yfx_ligand.pt
3dx4,COC1C([NH3+])C(O)C(O)C1O,7.12,3dx4_protein.pt,3dx4_pocket.pt,3dx4_ligand.pt
3std,N#CC1N=NC2=CC=CC=C2C=1NCCC(C1C=CC=CC=1)C1C=CC=CC=1,11.11,3std_protein.pt,3std_pocket.pt,3std_ligand.pt
3sw8,O=CN(O)CCNC(=O)C1C=CC=C(Cl)C=1Cl,4.5,3sw8_protein.pt,3sw8_pocket.pt,3sw8_ligand.pt
6g34,NC1=NC=NC2=C1C(I)=CN2C1OC(CO)C(O)C1O,8.24,6g34_protein.pt,6g34_pocket.pt,6g34_ligand.pt
4cwf,CCCC1=NC2C=CC=CC=2C2NC(N)=N[N+]=21,4.49,4cwf_protein.pt,4cwf_pocket.pt,4cwf_ligand.pt
3qfy,OCC1C[NH2+]CC(O)C1O,6.12,3qfy_protein.pt,3qfy_pocket.pt,3qfy_ligand.pt
4av4,OCC1OC(OCC#CC2C=NC=CC=2)C(O)C(O)C1O,7.03,4av4_protein.pt,4av4_pocket.pt,4av4_ligand.pt
1e2l,CC1=CN(C(=O)NC1=O)C1CC(O)C2(CO)CC12,4.29,1e2l_protein.pt,1e2l_pocket.pt,1e2l_ligand.pt
3mof,O=C([O-])C(=O)[O-],3.07,3mof_protein.pt,3mof_pocket.pt,3mof_ligand.pt
3gc5,CNC1=NC2C(=CC3C(=O)NC(N)=NC=3C=2CC[NH3+])N1,7.26,3gc5_protein.pt,3gc5_pocket.pt,3gc5_ligand.pt
2wnj,COC1C=CC(C=C2CCCN=C2C2C=CC=NC=2)=C(C=1)OC,6.48,2wnj_protein.pt,2wnj_pocket.pt,2wnj_ligand.pt
5u4b,O=C([O-])C1C=C(C=CC=1)C=CC1C=CC(O)=CC=1,5.74,5u4b_protein.pt,5u4b_pocket.pt,5u4b_ligand.pt
5ny3,NS(=O)(=O)C1C=CC(=CC=1)CCNC(=O)NC1C=CC(Cl)=CC=1,7.47,5ny3_protein.pt,5ny3_pocket.pt,5ny3_ligand.pt
2wzs,OCC1C(O)C(O)C(O)C2=NC=CN21,3.85,2wzs_protein.pt,2wzs_pocket.pt,2wzs_ligand.pt
3m37,NS(=O)(=O)C1=CC=CC=C1C1C=CC(NC(=O)C2=CC(=NN2C2=CC=CC=C2C[NH3+])C(F)(F)F)=C(F)C=1,9.04,3m37_protein.pt,3m37_pocket.pt,3m37_ligand.pt
1ctt,O=C1NCC=CN1C1OC(CO)C(O)C1O,4.52,1ctt_protein.pt,1ctt_pocket.pt,1ctt_ligand.pt
3bl1,CC1CC2C=CC=CC=2N1NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O,5.6,3bl1_protein.pt,3bl1_pocket.pt,3bl1_ligand.pt
3dk1,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CC2OCCOC2C1,9.74,3dk1_protein.pt,3dk1_pocket.pt,3dk1_ligand.pt
3ebh,CC(C)CC(NC(=O)C(O)C([NH3+])CC1C=CC=CC=1)C(=O)[O-],6.32,3ebh_protein.pt,3ebh_pocket.pt,3ebh_ligand.pt
5ehw,O=C([O-])C=CC1C=CC(Cl)=CC=1Cl,3.0,5ehw_protein.pt,5ehw_pocket.pt,5ehw_ligand.pt
5c2a,CC1=NC(C)=C(CNC2N=C(N=C(Cl)C=2C)C2CC2)S1,8.32,5c2a_protein.pt,5c2a_pocket.pt,5c2a_ligand.pt
6ht1,CC1CCC[NH+]1CC1=NC2=CC=C(C=C2N1)NC(=O)C1=CC=C2C(C=NN2C)=C1,7.11,6ht1_protein.pt,6ht1_pocket.pt,6ht1_ligand.pt
4cpw,COC(=O)NC(C(=O)N[N+](=CC1C=CC(=CC=1)C1C=CSC=1)CCCC1(O)CC2C=CC(=CC=2)CCC=CNC(=O)C(NC1=O)C(C)C)C(C)(C)C,7.5,4cpw_protein.pt,4cpw_pocket.pt,4cpw_ligand.pt
5ave,[NH3+]C(CO)C(=O)[O-],5.44,5ave_protein.pt,5ave_pocket.pt,5ave_ligand.pt
2yi0,COC1C=CC(=CC=1)C1SN=NC=1C1C=C(Cl)C(O)=CC=1O,8.12,2yi0_protein.pt,2yi0_pocket.pt,2yi0_ligand.pt
4wkn,CSCC1C[NH+](CC2=CNC3C2=NC=NC=3N)CC1O,9.72,4wkn_protein.pt,4wkn_pocket.pt,4wkn_ligand.pt
1w5y,O=C(NC1C2=CC=CC=C2CC1O)C(OCC1=CC(F)=CC=C1F)C(O)C(O)C(OCC1C=C(F)C=CC=1F)C(=O)NC1C2=CC=CC=C2CC1O,8.48,1w5y_protein.pt,1w5y_pocket.pt,1w5y_ligand.pt
5i29,CN(C)C(=O)C1C=CC=C(C=1)C1=CN(C)C(=O)C2NC=CC=21,7.82,5i29_protein.pt,5i29_pocket.pt,5i29_ligand.pt
4gii,N#CC1=CC(Cl)=C(C(=O)NC2=CC=NC(=C2)NC(=O)C2CC2)C(Cl)=C1,8.74,4gii_protein.pt,4gii_pocket.pt,4gii_ligand.pt
1mu6,CC1=CN=C(NCC(F)(F)C2C=CC=CN=2)C(=O)N1CC(=O)NCC1N=CC=CC=1F,8.38,1mu6_protein.pt,1mu6_pocket.pt,1mu6_ligand.pt
6h5x,O=C(NC1CCSC2CCCC(C(=O)[O-])N2C1=O)C(S)CC1C=CC=CC=1,10.82,6h5x_protein.pt,6h5x_pocket.pt,6h5x_ligand.pt
4baq,CCNC(=O)C[NH2+]C(C(=O)N1CCC1C(=O)NCC1C=CC(=CC=1)[C+](=N)=N)C1CCCCC1,9.01,4baq_protein.pt,4baq_pocket.pt,4baq_ligand.pt
1o2z,COC1C=CC=CC=1C1C=C(C=C(C2=NC3=CC(=CC=C3N2)C(N)=[NH2+])C=1O)C(CC(=O)[O-])C(=O)[O-],6.11,1o2z_protein.pt,1o2z_pocket.pt,1o2z_ligand.pt
1hvk,CC(C)C(NC(=O)N(C)CC1=CC=CC=N1)C(=O)NC(CC1C=CC=CC=1)C(O)C(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)N(C)CC1=CC=CC=N1)C(C)C,10.96,1hvk_protein.pt,1hvk_pocket.pt,1hvk_ligand.pt
3s76,NS(=O)(=O)C1=NC=CN1,5.05,3s76_protein.pt,3s76_pocket.pt,3s76_ligand.pt
3c56,O=C(COP(=O)(=O)=O)N(O)CCCOP(=O)(=O)=O,7.89,3c56_protein.pt,3c56_pocket.pt,3c56_ligand.pt
3st5,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CC2OCC(O)C2C1,11.3,3st5_protein.pt,3st5_pocket.pt,3st5_ligand.pt
5nvx,CC1N=CSC=1C1C=CC(=CC=1)CNC(=O)C1CC(O)CN1C(=O)C(NC(=O)C1(F)CC1)C(C)(C)C,7.05,5nvx_protein.pt,5nvx_pocket.pt,5nvx_ligand.pt
3pn1,CCCCSC1=NC(N)=C2N=CN(C2=N1)C1OC(CO)C(O)C1O,6.96,3pn1_protein.pt,3pn1_pocket.pt,3pn1_ligand.pt
3iog,O=P(=O)(=O)C(S)C1C=CC(Cl)=CC=1Cl,5.52,3iog_protein.pt,3iog_pocket.pt,3iog_ligand.pt
5f0f,N#CC1C=CC(=CC=1)N1CCC(CCC(=O)N2CCCC2)CC1,6.0,5f0f_protein.pt,5f0f_pocket.pt,5f0f_ligand.pt
1ohr,CC1C(=CC=CC=1O)C(=O)NC(CSC1C=CC=CC=1)C(O)C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C,8.7,1ohr_protein.pt,1ohr_pocket.pt,1ohr_ligand.pt
4f3k,NC1=NC=NC2C(=CNC=21)C[NH+]1CC(O)C(CSCCC([NH3+])C(=O)[O-])C1,10.16,4f3k_protein.pt,4f3k_pocket.pt,4f3k_ligand.pt
2zfs,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)C1CCCN1C(=O)C[NH2+]C1CCCCCC1,6.54,2zfs_protein.pt,2zfs_pocket.pt,2zfs_ligand.pt
3nw3,CC(=O)NC1C(O)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)[O-],6.49,3nw3_protein.pt,3nw3_pocket.pt,3nw3_ligand.pt
5jt9,CC(C)CC(N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1)C(N)=O,6.63,5jt9_protein.pt,5jt9_pocket.pt,5jt9_ligand.pt
2aog,CCCCC(C[NH2+]C(CCCC)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=[NH2+])C(N)=O)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)CC,6.28,2aog_protein.pt,2aog_pocket.pt,2aog_ligand.pt
5nz4,CCC(CC)OC1C=C(CC([NH3+])C1NC(C)=O)C(=O)[O-],6.28,5nz4_protein.pt,5nz4_pocket.pt,5nz4_ligand.pt
3u5l,CC1=NN=C2N(C)N=C(C3C=CC=CC=3)C3C=C(Cl)C=CC=3N12,6.19,3u5l_protein.pt,3u5l_pocket.pt,3u5l_ligand.pt
4ql1,C[NH2+]CC1=CC=CC(=C1)C1=CC=C(C(=C1)NC(=O)C1C=NC(=O)C=C1C(F)(F)F)N1CC[NH+](C)CC1,7.03,4ql1_protein.pt,4ql1_pocket.pt,4ql1_ligand.pt
1sl3,O=C(CN1C(=O)C(=NC=C1Cl)NCC(F)(F)C1=CC=CC=[N+]1[O-])NCC1=CC(Cl)=CC=C1N1C=NN=N1,11.85,1sl3_protein.pt,1sl3_pocket.pt,1sl3_ligand.pt
3ozp,CC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,6.62,3ozp_protein.pt,3ozp_pocket.pt,3ozp_ligand.pt
1xws,C[NH+](C)CCCN1C=C(C2=CC=CC=C21)C1C(=O)NC(=O)C1C1=CNC2=CC=CC=C21,8.0,1xws_protein.pt,1xws_pocket.pt,1xws_ligand.pt
5ia4,COC1C=C2C(=CC=1OCCC[NH+]1CCOCC1)N=CC=C2OC1=CC=C(C=C1F)NC(=O)C1(CC1)C(=O)NC1C=CC(F)=CC=1,7.28,5ia4_protein.pt,5ia4_pocket.pt,5ia4_ligand.pt
4ibf,O=C([O-])CC1C=CC(=CC=1)N1C(=O)C(O)=C(C(=O)C2=CC=C(Cl)S2)C1C1=CC(Br)=CS1,4.43,4ibf_protein.pt,4ibf_pocket.pt,4ibf_ligand.pt
1duv,NP(=O)(NCCCC([NH3+])C(=O)[O-])NS(=O)(=O)[O-],11.8,1duv_protein.pt,1duv_pocket.pt,1duv_ligand.pt
4yx4,NS(=O)(=O)C1C=CC=CC=1,5.97,4yx4_protein.pt,4yx4_pocket.pt,4yx4_ligand.pt
1hi3,NC1N=CN=C2C=1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1OP(=O)(=O)=O,4.19,1hi3_protein.pt,1hi3_pocket.pt,1hi3_ligand.pt
5za9,NC(=[NH2+])NC(=O)C1=NC(C2=CC3=CC=CC=C3O2)=C(N=C1N)N1CCCCCC1,6.74,5za9_protein.pt,5za9_pocket.pt,5za9_ligand.pt
3umq,CCCC(=O)[O-],4.62,3umq_protein.pt,3umq_pocket.pt,3umq_ligand.pt
4q7w,CC1=CC=CC(=S)N1O,2.64,4q7w_protein.pt,4q7w_pocket.pt,4q7w_ligand.pt
1i5r,CC12CCC3C4C=CC(O)=CC=4CCC3C1CC(CCCCCCCCC(=O)OCC1OC(C(O)C1O)N1C=NC3C1=NC=NC=3N)C2O,8.52,1i5r_protein.pt,1i5r_pocket.pt,1i5r_ligand.pt
4ih6,CC(C)C1NC(=O)N(CC2C=CC(=CC=2)C(C)(C)C)C1=O,4.74,4ih6_protein.pt,4ih6_pocket.pt,4ih6_ligand.pt
2xdl,CCN(CC)C(=O)C1C=CC(O)=C(C=1)OC,3.1,2xdl_protein.pt,2xdl_pocket.pt,2xdl_ligand.pt
4f9y,CN(C)C1C=C(C2C=CN=CC=2)C(=NN=1)C1=CC=CC2=CC=CC=C21,6.74,4f9y_protein.pt,4f9y_pocket.pt,4f9y_ligand.pt
3cj2,CC1CC(C)CN(C1)C(=O)C1C=C(Br)C=CC=1N,4.85,3cj2_protein.pt,3cj2_pocket.pt,3cj2_ligand.pt
3suf,CCC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OC1CC1CCCCCC1=NC3=CC=C(C=C3N=C1O2)OC)C(C)(C)C)C(=O)NS(=O)(=O)C1C=C1,7.56,3suf_protein.pt,3suf_pocket.pt,3suf_ligand.pt
6dh7,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,9.88,6dh7_protein.pt,6dh7_pocket.pt,6dh7_ligand.pt
4pp5,CC(=CC=CC(C)=CC(=O)[O-])C=C1CCCC2C(C)=CC=CC=21,7.74,4pp5_protein.pt,4pp5_pocket.pt,4pp5_ligand.pt
5lvl,O=C1C2=CC=CC3=NNC(C4C=CC=CC=41)=C23,5.9,5lvl_protein.pt,5lvl_pocket.pt,5lvl_ligand.pt
4q7p,CC1=CC=CN(O)C1=S,4.32,4q7p_protein.pt,4q7p_pocket.pt,4q7p_ligand.pt
2wvz,O=C1NC2C(O)C(O)C(O)C(CO)N2C1=O,4.02,2wvz_protein.pt,2wvz_pocket.pt,2wvz_ligand.pt
3nyd,O=[N+]([O-])C1C=C2NN=NC2=CC=1,3.48,3nyd_protein.pt,3nyd_pocket.pt,3nyd_ligand.pt
3vx3,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,7.82,3vx3_protein.pt,3vx3_pocket.pt,3vx3_ligand.pt
5ld8,CCCCS(=O)(=O)NC1=CC=C2C=NN(C)C2=C1,8.05,5ld8_protein.pt,5ld8_pocket.pt,5ld8_ligand.pt
4rrf,NC1N=CN=C2C=1N=CN2C1OC(CO)C(NC(=O)C([NH3+])CO)C1O,3.62,4rrf_protein.pt,4rrf_pocket.pt,4rrf_ligand.pt
4hdb,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OC3OCCC3C12,8.05,4hdb_protein.pt,4hdb_pocket.pt,4hdb_ligand.pt
3ai8,O=[N+]([O-])C1=CC=C(O)C2N=CC=CC=21,3.81,3ai8_protein.pt,3ai8_pocket.pt,3ai8_ligand.pt
3bxf,O=P(=O)(=O)OCC1OC(O)(COP(=O)(=O)=O)C(O)C1O,5.54,3bxf_protein.pt,3bxf_pocket.pt,3bxf_ligand.pt
5dfp,CCN1C2=NC(=NC=C2CC(C2C=CC(=CC=2Cl)C2=CN=CC(C)=N2)=C1O)NCCC1CC[NH+](C)CC1,7.66,5dfp_protein.pt,5dfp_pocket.pt,5dfp_ligand.pt
6aqs,N=[C+]1NC(=O)C2NC=C(C[NH+]3CC(O)C(CO)C3)C=2N1,7.55,6aqs_protein.pt,6aqs_pocket.pt,6aqs_ligand.pt
3fqe,CC1C=CC=C(C=1)NC1=NC(=NC=C1C(N)=O)NC1CCCCC1[NH3+],8.3,3fqe_protein.pt,3fqe_pocket.pt,3fqe_ligand.pt
3rdq,CC1NC(=O)NC1CCCCCC(=O)[O-],9.31,3rdq_protein.pt,3rdq_pocket.pt,3rdq_ligand.pt
4eo8,CC1CCC(CC1)C(=O)N(C1C=C(C#CC(C)(C)C)SC=1C(=O)[O-])[NH+](C)C,8.15,4eo8_protein.pt,4eo8_pocket.pt,4eo8_ligand.pt
1xbo,COC(=O)C1C(=CC=CC=1O)OCC=CC1C=CC=C(C=1)C1ON=C(C(=O)[O-])C=1CO,6.04,1xbo_protein.pt,1xbo_pocket.pt,1xbo_ligand.pt
2ymd,[NH3+]CCC1=CNC2=CC=C(O)C=C12,3.16,2ymd_protein.pt,2ymd_pocket.pt,2ymd_ligand.pt
3gbb,[NH3+]C(CC1(CC2OCCCC2O1)C(=O)[O-])C(=O)[O-],6.9,3gbb_protein.pt,3gbb_pocket.pt,3gbb_ligand.pt
5cu4,O=C(CC[NH2+]CC1=CC=C(C(Cl)=C1)C1C=CC=CC=1)NCCC(=O)NC1=CC=CC(=C1)C(=O)[O-],6.49,5cu4_protein.pt,5cu4_pocket.pt,5cu4_ligand.pt
5eij,NS(=O)(=O)C1C=CC(=CC=1)NC(S)NC1C=C(I)C=CC=1,5.31,5eij_protein.pt,5eij_pocket.pt,5eij_ligand.pt
5a81,CC1=CC2=CC=NC(NC3CC[NH2+]CC3OCC3CCCCC3)=C2NC1=O,5.54,5a81_protein.pt,5a81_pocket.pt,5a81_ligand.pt
5f61,CC1C=NC(=NC=1NC1=CC=CC(=C1)NS(=O)(=O)C(C)(C)C)NC1C=CC(=C(F)C=1)N1CC[NH+](C)CC1,7.46,5f61_protein.pt,5f61_pocket.pt,5f61_ligand.pt
1oxr,CC(=O)OC1=CC=CC=C1C(=O)[O-],5.19,1oxr_protein.pt,1oxr_pocket.pt,1oxr_ligand.pt
1c87,O=C([O-])C(=O)NC1SC2COCCC=2C=1C(=O)[O-],4.2,1c87_protein.pt,1c87_pocket.pt,1c87_ligand.pt
5o9r,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(C3O)N3C=C(COCC4=CC=CS4)N=N3)C2O)C(O)C(O)C1O,5.39,5o9r_protein.pt,5o9r_pocket.pt,5o9r_ligand.pt
1f4g,O=C([O-])CCNC(=O)C1CCCN1S(=O)(=O)C1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],6.48,1f4g_protein.pt,1f4g_pocket.pt,1f4g_ligand.pt
6bhv,NC(=O)C1C=CC=C(C=1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2O)N2C=NC3C(N)=NC=NC=32)C(O)C1O,5.23,6bhv_protein.pt,6bhv_pocket.pt,6bhv_ligand.pt
5edl,CC1=NC=C(CN2CSC(CCO)=C2C)C(N)=N1,8.35,5edl_protein.pt,5edl_pocket.pt,5edl_ligand.pt
4wov,CNC1=NC2NC(=CC=2C2=C1N=CN2C)C1=CC=CC(CNC(=O)COC)=N1,7.14,4wov_protein.pt,4wov_pocket.pt,4wov_ligand.pt
6d56,CC1=CC(=CC(C)=C1F)CN1C2=CC(Cl)=CC(=C2N=C1N1CC2(C[NH2+]C2)C1)C1C(C)=NNC=1C,8.05,6d56_protein.pt,6d56_pocket.pt,6d56_ligand.pt
5mpn,CCOC1C=CC(=CC=1C1C=CC=C(C=1)C1=NN=NN1)C(C)=O,7.07,5mpn_protein.pt,5mpn_pocket.pt,5mpn_ligand.pt
4ncn,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.67,4ncn_protein.pt,4ncn_pocket.pt,4ncn_ligand.pt
1usi,[NH3+]C(CC1C=CC=CC=1)C(=O)[O-],6.74,1usi_protein.pt,1usi_pocket.pt,1usi_ligand.pt
3k5v,NC(=O)C1=CC=CC(=C1)C1=CC(=NC=N1)NC1C=CC(=CC=1)OC(F)(F)F,6.3,3k5v_protein.pt,3k5v_pocket.pt,3k5v_ligand.pt
4dy6,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(OP(=O)(=O)=O)C2O)N2C=NC3C(N)=NC=NC=32)C(O)C1O,4.4,4dy6_protein.pt,4dy6_pocket.pt,4dy6_ligand.pt
5c2o,CC1=CN(C(=O)NC1=O)C1CC(O)C(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)O1,4.55,5c2o_protein.pt,5c2o_pocket.pt,5c2o_ligand.pt
2d1o,NC(=[NH2+])NCC1C=CC=CC=1CCCCCCCCCC(=O)NC(CCCC[NH3+])C(=O)NO,7.7,2d1o_protein.pt,2d1o_pocket.pt,2d1o_ligand.pt
5i1q,C=CCCN1CC(C2C=C(C=CC=2)C(=O)N(C)C)C2C=CNC=2C1=O,7.92,5i1q_protein.pt,5i1q_pocket.pt,5i1q_ligand.pt
2hjb,COC1C=CC(=CC=1)C[NH3+],4.39,2hjb_protein.pt,2hjb_pocket.pt,2hjb_ligand.pt
2qmg,COCC1CCCN1C(=O)C1C=C(C)C=C(C=1)C(=O)NC(CC1C=C(F)C=C(F)C=1)C(O)C1CC(C[NH2+]1)OC1C=CC=CC=1,9.15,2qmg_protein.pt,2qmg_pocket.pt,2qmg_ligand.pt
5u0y,NC1=NC2NC(=NC=2C(=O)N1)SCC(=O)[O-],6.08,5u0y_protein.pt,5u0y_pocket.pt,5u0y_ligand.pt
4i72,NC1=NC=NC2C(=CNC=21)C1[NH2+]C(CO)C(O)C1O,9.05,4i72_protein.pt,4i72_pocket.pt,4i72_ligand.pt
3k8o,O=C1NC=NC2C(=CNC=21)C[NH2+]C(CO)C(O)CO,11.07,3k8o_protein.pt,3k8o_pocket.pt,3k8o_ligand.pt
4q93,OC1C=CC(C=CC2C=C(O)C=C(O)C=2)=CC=1,4.65,4q93_protein.pt,4q93_pocket.pt,4q93_ligand.pt
3suv,CC(=O)NC1C[NH2+]C(CO)C(O)C1O,4.55,3suv_protein.pt,3suv_pocket.pt,3suv_ligand.pt
5dey,CNC1=NC=C2C=C(C(=O)N(CC3OCC([NH3+])CO3)C2=N1)C1=CC=C(C=C1Cl)C1C=CC=C(C)N=1,8.43,5dey_protein.pt,5dey_pocket.pt,5dey_ligand.pt
2vpo,CC1=NC(C(=O)[O-])C(O)CN1,5.42,2vpo_protein.pt,2vpo_pocket.pt,2vpo_ligand.pt
5vcw,CCOC1C=C2N=CC(C#N)=C(NC3=CC=C(F)C(Cl)=C3)C2=CC=1NC(=O)C=CC[NH+](C)C,5.96,5vcw_protein.pt,5vcw_pocket.pt,5vcw_ligand.pt
3u8j,C1=CC(=CN=C1)N1CCC[NH2+]CC1,8.51,3u8j_protein.pt,3u8j_pocket.pt,3u8j_ligand.pt
4b73,CCC([NH2+]C(C)CC(N)=O)C1=CC=C(Cl)C(OC2C=CC=CC=2)=C1F,7.21,4b73_protein.pt,4b73_pocket.pt,4b73_ligand.pt
2vvv,O=C(CN1C=NC(=N1)NC(=O)C1=CC=C(Cl)S1)NC1=CC=C(C=C1F)N1C=CC=CC1=O,8.22,2vvv_protein.pt,2vvv_pocket.pt,2vvv_ligand.pt
4y79,CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)C=CC2C=CC(Cl)=CC=2)C1=O,7.96,4y79_protein.pt,4y79_pocket.pt,4y79_ligand.pt
3si3,[NH3+]C(CC1C=CC=CC=1)C(=O)N1CCCC1C(=O)NCC1=CC=CC=N1,4.16,3si3_protein.pt,3si3_pocket.pt,3si3_ligand.pt
3k99,O=C1C=CC(C(=O)N2CC3C=CC=CC=3C2)=C(O)C1,7.22,3k99_protein.pt,3k99_pocket.pt,3k99_ligand.pt
4tz2,NC1C=CC=C(C=1)C1=NC(=NN1)C1C=CC=CC=1,3.46,4tz2_protein.pt,4tz2_pocket.pt,4tz2_ligand.pt
2drc,CN(CC1C=NC2=NC(N)=NC(N)=C2N=1)C1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],9.89,2drc_protein.pt,2drc_pocket.pt,2drc_ligand.pt
2al5,[NH3+]C(CN1C=C(F)C(=O)NC1=O)C(=O)[O-],8.4,2al5_protein.pt,2al5_pocket.pt,2al5_ligand.pt
3kiv,[NH3+]CCCCCC(=O)[O-],4.7,3kiv_protein.pt,3kiv_pocket.pt,3kiv_ligand.pt
4pv5,CC1(CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C(=O)[O-],6.54,4pv5_protein.pt,4pv5_pocket.pt,4pv5_ligand.pt
1w11,CC(NC(=O)C(CO)NS(=O)(=O)CC1C=CC=CC=1)C(=O)NCC1C=CC(=CC=1)[C+](=N)=N,8.22,1w11_protein.pt,1w11_pocket.pt,1w11_ligand.pt
1sw2,C[N+](C)(C)CC(=O)[O-],7.22,1sw2_protein.pt,1sw2_pocket.pt,1sw2_ligand.pt
5nlk,CCOC1C=CC(=CC=1NC(=O)C1C=C(C=C(C=1)NC(C)=O)NC(=O)C1=CC=CO1)C(C)=O,7.46,5nlk_protein.pt,5nlk_pocket.pt,5nlk_ligand.pt
4o0a,O=C([O-])C1=CC=C(O1)C1C=C(Cl)C(=CC=1)C(S)[NH2+]CC1C=CC(=CC=1)C1=CC(=NN1C1C=CC(Cl)=C(Cl)C=1)C(=O)[O-],6.72,4o0a_protein.pt,4o0a_pocket.pt,4o0a_ligand.pt
4bck,CNC1=NC(C)=C(S1)C1=NC(=NC=C1C#N)NC1C=CC=C(C=1)S(N)(=O)=O,8.4,4bck_protein.pt,4bck_pocket.pt,4bck_ligand.pt
5ot9,CC([NH2+]C(CC1=CNC=N1)C(=O)[O-])C(=O)[O-],4.07,5ot9_protein.pt,5ot9_pocket.pt,5ot9_ligand.pt
5aoi,CCC1=CC(Br)=CC2C(CC[NH3+])=C(C)NC=21,3.03,5aoi_protein.pt,5aoi_pocket.pt,5aoi_ligand.pt
3g35,O=C(NC1=CC=CC(=C1)C1N=NNN=1)C1C=C(F)C=CC=1,4.68,3g35_protein.pt,3g35_pocket.pt,3g35_ligand.pt
3zyu,COC1=CC2=C(C=C1C1C(C)=NOC=1C)N=CC1NC(=O)N(C=12)C(C)C1C=CC=CN=1,7.0,3zyu_protein.pt,3zyu_pocket.pt,3zyu_ligand.pt
4q3t,[NH2+]=C(NO)NCCCC([NH3+])C(=O)[O-],6.48,4q3t_protein.pt,4q3t_pocket.pt,4q3t_ligand.pt
5sz1,CC1=CC=CC=C1C1C=CC(=CC=1)S(N)(=O)=O,8.92,5sz1_protein.pt,5sz1_pocket.pt,5sz1_ligand.pt
3zv7,CC12CC[NH2+]C1NC1=CC=C(O)C=C12,5.92,3zv7_protein.pt,3zv7_pocket.pt,3zv7_ligand.pt
4e0x,C=C(C)C1C[NH2+]C(C(=O)[O-])C1CC(=O)[O-],7.12,4e0x_protein.pt,4e0x_pocket.pt,4e0x_ligand.pt
2avs,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC=NC=1,7.57,2avs_protein.pt,2avs_pocket.pt,2avs_ligand.pt
3pgl,COCCCOC1C=CN=C(C[S](O)C2=NC3=CC=CC=C3N2)C=1C,5.3,3pgl_protein.pt,3pgl_pocket.pt,3pgl_ligand.pt
4zei,O=P(=O)(=O)OC1C(O)OCC(O)C1O,5.88,4zei_protein.pt,4zei_pocket.pt,4zei_ligand.pt
5dgu,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC2OCC(OC)C12,11.35,5dgu_protein.pt,5dgu_pocket.pt,5dgu_ligand.pt
4o3f,COC1=CC2=NC(=NC(N)=C2C=C1OC)N1CCN(CC1)C(=O)C1CCCO1,5.56,4o3f_protein.pt,4o3f_pocket.pt,4o3f_ligand.pt
4zip,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)C1=CC(C)=CC(=C1)C(=O)N(C)CC1N=C(C)OC=1C,9.68,4zip_protein.pt,4zip_pocket.pt,4zip_ligand.pt
4f6w,CC1C=CC(=CC=1)N1N=C(C=C1NC(=O)NCC[NH+]1CCN(CC1)C(=O)NC1=CC(=NN1C1C=CC(C)=CC=1)C(C)(C)C)C(C)(C)C,7.52,4f6w_protein.pt,4f6w_pocket.pt,4f6w_ligand.pt
4rj8,COC1CCN(CC1)C1N=C(C=CN=1)NC1=CC2=C(C=CN2C2CCCC2)C=N1,7.77,4rj8_protein.pt,4rj8_pocket.pt,4rj8_ligand.pt
3pcg,O=C([O-])CC1C=CC(O)=CC=1,2.3,3pcg_protein.pt,3pcg_pocket.pt,3pcg_ligand.pt
5jvi,CCC(C)CNC(=O)C(CC(C)C)N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1,6.51,5jvi_protein.pt,5jvi_pocket.pt,5jvi_ligand.pt
4rd6,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.28,4rd6_protein.pt,4rd6_pocket.pt,4rd6_ligand.pt
5i3x,CC(C)(C)CCNC(=O)CCC1C=C2C=C(C=CC2=NC=1N)C1=CC=CC=C1C#CCC1(CC1)NC(=O)C1C=CC(F)=CC=1,8.1,5i3x_protein.pt,5i3x_pocket.pt,5i3x_ligand.pt
1jaq,CC(C)CC(C(=O)NO)C(=O)NC(C)C(=O)NCC(N)=O,4.48,1jaq_protein.pt,1jaq_pocket.pt,1jaq_ligand.pt
3hzm,O=C([O-])C1(O)CC(O)C(O)C(O1)C(O)CO,5.52,3hzm_protein.pt,3hzm_pocket.pt,3hzm_ligand.pt
2qg0,CC1C=C(CNS(=O)(=O)C2C=CC=C(C=2)NC=C2CCOC2=O)N=C(N)N=1,5.72,2qg0_protein.pt,2qg0_pocket.pt,2qg0_ligand.pt
1zge,NC1C(Cl)=CC(=CC=1Cl)S(N)(=O)=O,7.3,1zge_protein.pt,1zge_pocket.pt,1zge_ligand.pt
5nk6,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)NC2CCC(O)CC2)S1,6.8,5nk6_protein.pt,5nk6_pocket.pt,5nk6_ligand.pt
5m7s,CCN=C1NC2C(OC(CO)C(O)C2O)S1,9.05,5m7s_protein.pt,5m7s_pocket.pt,5m7s_ligand.pt
4eb8,N=[C+]1NC(=O)C2NC=C(C[NH+]3CC(O)C(CO)C3)C=2N1,9.82,4eb8_protein.pt,4eb8_pocket.pt,4eb8_ligand.pt
2j94,CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)C2=NN=C(N2)C2=CC=C(Cl)S2)C1=O,6.27,2j94_protein.pt,2j94_pocket.pt,2j94_ligand.pt
5u14,N=[C+]1NC(=O)C2NC(=NC=2N1)SCCC1C=CC(=CC=1)S(N)(=O)=O,5.34,5u14_protein.pt,5u14_pocket.pt,5u14_ligand.pt
2xhm,CCC(C)C(NC(C)=O)C(=O)NC(CC1C=CC(O)=CC=1)C(=O)NC(CC1C=CC(O)=CC=1)P(=O)(=O)=O,6.8,2xhm_protein.pt,2xhm_pocket.pt,2xhm_ligand.pt
5fl4,NS(=O)(=O)C1=CC=C(S1)C1=CN(N=N1)C1=CC=CC2C=CC=CC=21,7.0,5fl4_protein.pt,5fl4_pocket.pt,5fl4_ligand.pt
5fsx,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,2.72,5fsx_protein.pt,5fsx_pocket.pt,5fsx_ligand.pt
3hub,CC1C[NH+](CC2C=CC(F)=CC=2)C(C)CN1C(=O)C1C=C2C(=CN(C)C2=CC=1Cl)C(=O)C(=O)N(C)C,8.09,3hub_protein.pt,3hub_pocket.pt,3hub_ligand.pt
3gba,C[NH2+]C1C(O)COC2CC(CC([NH3+])C(=O)[O-])(OC21)C(=O)[O-],9.07,3gba_protein.pt,3gba_pocket.pt,3gba_ligand.pt
2vh6,CS(=O)(=O)C1=CC=CC=C1C1C=CC(=C(F)C=1)N1CCC(NS(=O)(=O)C=CC2=CC=C(Cl)S2)C1=O,9.7,2vh6_protein.pt,2vh6_pocket.pt,2vh6_ligand.pt
3tfn,O=C([O-])CC1(CCCC1)CC(=O)N1CC[NH+](CC1)C(C1C=CC=CC=1)C1C=CC=CC=1,6.57,3tfn_protein.pt,3tfn_pocket.pt,3tfn_ligand.pt
2d3z,CC1C=CC(=CC=1)S(=O)(=O)NC1C=C(SC=1C(=O)[O-])C1C=CC(F)=CC=1,6.64,2d3z_protein.pt,2d3z_pocket.pt,2d3z_ligand.pt
5ka1,O=C([O-])C(=O)NC1SC2C[NH2+]CCC=2C=1C(=O)[O-],4.48,5ka1_protein.pt,5ka1_pocket.pt,5ka1_ligand.pt
2w47,O=C([O-])C1=CC(O)C(O)C(O1)OC1C(OC(O)C(O)C1O)C(=O)[O-],4.98,2w47_protein.pt,2w47_pocket.pt,2w47_ligand.pt
2jjb,OCC1OC(OC2C[NH+]3C(CO)C(O)C(O)C3C2O)C(O)C(O)C1O,7.92,2jjb_protein.pt,2jjb_pocket.pt,2jjb_ligand.pt
1iiq,CC(C)(C)OC(=O)NC(CC1C=CC=CC=1)C(O)C[NH2+]C(CC1C=CC=CC=1)C(=O)NC(CCC(N)=O)C(=O)NC(CC1C=CC=CC=1)C(N)=O,7.48,1iiq_protein.pt,1iiq_pocket.pt,1iiq_ligand.pt
5wqc,CCN(CC1C=NC=CC=1)C(=O)CN(C1C=NC(=CC=1)OC)S(=O)(=O)C1=CC=CC=C1C,8.96,5wqc_protein.pt,5wqc_pocket.pt,5wqc_ligand.pt
3fur,O=S(=O)(NC1=CC(Cl)=C(OC2C=NC3=CC=CC=C3C=2)C(Cl)=C1)C1=CC=C(Cl)C=C1Cl,8.0,3fur_protein.pt,3fur_pocket.pt,3fur_ligand.pt
2a14,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,5.7,2a14_protein.pt,2a14_pocket.pt,2a14_ligand.pt
4ban,CNC(=O)C[NH2+]C(C(=O)N1CCC1C(=O)NCC1C=CC(=CC=1)[C+](=N)=N)C1CCCCC1,8.61,4ban_protein.pt,4ban_pocket.pt,4ban_ligand.pt
2nta,O=C1CN(C2=CSC(C3C=CC=CC=3)=C2Cl)S(=O)(=O)N1,4.8,2nta_protein.pt,2nta_pocket.pt,2nta_ligand.pt
6gjl,CCOC(=O)CNC(=O)N(CC1C=CC(N)=CC=1)CC1N=NNN=1,3.86,6gjl_protein.pt,6gjl_pocket.pt,6gjl_ligand.pt
2wyj,CC(C1C=CC(=C(F)C=1)N1CCC(NS(=O)(=O)C=CC2=CC=C(Cl)S2)C1=O)[NH+](C)C,9.0,2wyj_protein.pt,2wyj_pocket.pt,2wyj_ligand.pt
2xbv,O=C(NC1=CC=C(C=C1F)N1C=CC=CC1=O)C1C[NH+](CC(F)F)CC1C(=O)NC1C=CC(Cl)=CN=1,8.43,2xbv_protein.pt,2xbv_pocket.pt,2xbv_ligand.pt
4zzz,COCCCN1CC2C=CC=C(C(N)=O)C=2C1=O,7.06,4zzz_protein.pt,4zzz_pocket.pt,4zzz_ligand.pt
1ydd,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,7.07,1ydd_protein.pt,1ydd_pocket.pt,1ydd_ligand.pt
1cgl,CC(C)CC([NH2+]C(CCNC(=O)OCC1C=CC=CC=1)C(=O)[O-])C(=O)NC(CC1C=CC=CC=1)C(=O)NCC[NH+]1CCOCC1,6.87,1cgl_protein.pt,1cgl_pocket.pt,1cgl_ligand.pt
3nu4,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,8.82,3nu4_protein.pt,3nu4_pocket.pt,3nu4_ligand.pt
3ejr,CC(C)(C)C1C=CC(=CC=1)C(=O)CC1CCC(O)C2C(O)C(O)C[NH+]12,8.57,3ejr_protein.pt,3ejr_pocket.pt,3ejr_ligand.pt
4kzu,O=C1C=C(OC2=CC=CC=C12)C1C=CC(Br)=CC=1,6.5,4kzu_protein.pt,4kzu_pocket.pt,4kzu_ligand.pt
4cs9,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,2.1,4cs9_protein.pt,4cs9_pocket.pt,4cs9_ligand.pt
5vb7,CC(C)=CCN(C(=O)N(C)C1CCC(CC1)C1C=CN=CC=1)C1C=C(C=CC=1)OC1C=CC=CC=1,6.72,5vb7_protein.pt,5vb7_pocket.pt,5vb7_ligand.pt
1q8u,CC1C=NC=C2C=CC=C(C=12)S(=O)(=O)N1CCC[NH2+]CC1C,5.96,1q8u_protein.pt,1q8u_pocket.pt,1q8u_ligand.pt
2qtt,NC1N=CN=C2C(=NNC=12)C1OC(CO)C(O)C1O,4.32,2qtt_protein.pt,2qtt_pocket.pt,2qtt_ligand.pt
2ya6,CC(=O)NC1C(O)C=C(OC1C(O)C(O)CO)C(=O)[O-],5.7,2ya6_protein.pt,2ya6_pocket.pt,2ya6_ligand.pt
4iva,CC(O)C1=NC2C=NC3NC=CC=3C=2N1C1CCC(C#N)CC1,7.16,4iva_protein.pt,4iva_pocket.pt,4iva_ligand.pt
3b2q,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.55,3b2q_protein.pt,3b2q_pocket.pt,3b2q_ligand.pt
1o3i,CC1=CC(Br)=C(O)C(=C1)C1=CC2=CC(=CC=C2N1)[C+](=N)=N,7.3,1o3i_protein.pt,1o3i_pocket.pt,1o3i_ligand.pt
4er1,CCC(C)CNC(=O)C(CC(C)C)CC(O)C(CC1CCCCC1)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC1=CC=CC2C=CC=CC=21)CC1=CC=CC2C=CC=CC=21,6.62,4er1_protein.pt,4er1_pocket.pt,4er1_ligand.pt
2cbv,OC1C2CCC(O)([NH2+]2)C(O)C1O,5.48,2cbv_protein.pt,2cbv_pocket.pt,2cbv_ligand.pt
5d3j,CCC1=C(NC(C)=C1C(C)=O)C(=O)NC1=CC=CC(=C1)S(=O)(=O)N(CC)CC,5.24,5d3j_protein.pt,5d3j_pocket.pt,5d3j_ligand.pt
4b0b,NC1C=CC=C(C=1)OC1C=CC=CN=1,3.33,4b0b_protein.pt,4b0b_pocket.pt,4b0b_ligand.pt
2xjg,COC1=CC(O)=C(C=C1C(C)C)C(=O)N1CC2C=CC=CC=2C1,7.82,2xjg_protein.pt,2xjg_pocket.pt,2xjg_ligand.pt
5eyr,C[NH2+]CC1C=CC(=CC=1)N1CCC(CCC(=O)N2C=CC=C2)CC1,5.3,5eyr_protein.pt,5eyr_pocket.pt,5eyr_ligand.pt
4rux,CCCOC1C=CC(=CC=1)S(N)(=O)=O,7.92,4rux_protein.pt,4rux_pocket.pt,4rux_ligand.pt
3ozg,O=C1NC=NC2C(=CNC=21)C[NH2+]C(CO)CCP(=O)(=O)=O,9.19,3ozg_protein.pt,3ozg_pocket.pt,3ozg_ligand.pt
5yft,O=P(=O)(=O)OCC1OC(OP(=O)(=O)=O)C(O)C1O,5.0,5yft_protein.pt,5yft_pocket.pt,5yft_ligand.pt
3b26,CC1=CC(=NC(N)=N1)C1C=CC2COCC3=CC=CC=1C=23,6.64,3b26_protein.pt,3b26_pocket.pt,3b26_ligand.pt
5xsr,NC(=O)C1=CC(F)=CC2N=C(NC=21)C1=CC2CC[NH2+]CC=2S1,7.69,5xsr_protein.pt,5xsr_pocket.pt,5xsr_ligand.pt
4k7n,CC1C=CC(O)=C(O)C=1,3.48,4k7n_protein.pt,4k7n_pocket.pt,4k7n_ligand.pt
2hnx,CCCCCCCCCCCCCCCC(=O)[O-],7.08,2hnx_protein.pt,2hnx_pocket.pt,2hnx_ligand.pt
2wos,O=S(=O)([O-])C1C=CC2=CC(=CC=C2C=1)NC1C=CC=CC=1,3.9,2wos_protein.pt,2wos_pocket.pt,2wos_ligand.pt
4unp,CCCC1C=C2NC(=O)C=CC2=C(C)N=1,3.23,4unp_protein.pt,4unp_pocket.pt,4unp_ligand.pt
1a9q,O=C1NC=NC2NC=NC=21,6.17,1a9q_protein.pt,1a9q_pocket.pt,1a9q_ligand.pt
3su2,CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C2CC(CN2C1=O)OC(=O)N1C=C2C=CC=C(F)C2=C1)C(=O)NS(=O)(=O)C1CC1,7.35,3su2_protein.pt,3su2_pocket.pt,3su2_ligand.pt
5er4,CN1CCC2=CC=CC3C4=C(C=CC(O)=C4O)C=C1C=32,2.76,5er4_protein.pt,5er4_pocket.pt,5er4_ligand.pt
6eya,CC1C=CC=C(C=1)CC1=NNC2=CC(O)=C(C=C21)C(=O)N(C)C1C=CC2OCOC=2C=1,7.48,6eya_protein.pt,6eya_pocket.pt,6eya_ligand.pt
4pvy,CC(C)OC1C=CC(=CC=1)C1C=C(C=NC=1)NC(P(=O)(=O)=O)P(=O)(=O)=O,6.71,4pvy_protein.pt,4pvy_pocket.pt,4pvy_ligand.pt
5btx,NC1=NC=NC2=C1N=CN2C1OC2CO[P](=O)(=O)OC2C1O,3.55,5btx_protein.pt,5btx_pocket.pt,5btx_ligand.pt
3vw2,COC1=CC=C2CC3C4C=C5OCOC5=CC=4C=C[N+]=3CC2C1OC,4.75,3vw2_protein.pt,3vw2_pocket.pt,3vw2_ligand.pt
3evd,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.91,3evd_protein.pt,3evd_pocket.pt,3evd_ligand.pt
5uf0,CNC1=CC(=O)N(C)N=C1C1C=CC=CC=1,3.8,5uf0_protein.pt,5uf0_pocket.pt,5uf0_ligand.pt
3r4n,CC1C=C(N=C(N)N=1)C1C(Cl)=CC=CC=1OCCCC(F)(F)F,6.89,3r4n_protein.pt,3r4n_pocket.pt,3r4n_ligand.pt
4b9z,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1[NH2+]C1C=C(CO)C(O)C(O)C1O,4.09,4b9z_protein.pt,4b9z_pocket.pt,4b9z_ligand.pt
1a99,[NH3+]CCCC[NH3+],5.7,1a99_protein.pt,1a99_pocket.pt,1a99_ligand.pt
4qrh,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O[P](=O)(=O)OP(=O)(=O)=O)C1O,5.15,4qrh_protein.pt,4qrh_pocket.pt,4qrh_ligand.pt
5vm0,O=C(NC1C=CC(Cl)=CC=1)NC1C=CC(Cl)=C(Cl)C=1,8.8,5vm0_protein.pt,5vm0_pocket.pt,5vm0_ligand.pt
3f1a,O=C(CNS(=O)(=O)C1C=CC=CC=1)NO,7.21,3f1a_protein.pt,3f1a_pocket.pt,3f1a_ligand.pt
2pvu,[NH3+]CCCCC([NH3+])C(=O)[O-],6.31,2pvu_protein.pt,2pvu_pocket.pt,2pvu_ligand.pt
1amw,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.54,1amw_protein.pt,1amw_pocket.pt,1amw_ligand.pt
3iub,COC1C=CC2NC(=CC=2C=1)C(=O)NS(=O)(=O)C1C=CC(C)=CN=1,4.54,3iub_protein.pt,3iub_pocket.pt,3iub_ligand.pt
5mrm,OC1C(=CC(Br)=CC=1Br)C1=CC(=NO1)C(F)(F)F,5.03,5mrm_protein.pt,5mrm_pocket.pt,5mrm_ligand.pt
4a95,CCCCC1=C(C)N=C2C=CC(=CC2=C1SCCC#N)OC,5.76,4a95_protein.pt,4a95_pocket.pt,4a95_ligand.pt
6gnp,O=C1N=C(Cl)C(Cl)C=C1Cl,4.55,6gnp_protein.pt,6gnp_pocket.pt,6gnp_ligand.pt
2vnt,NC(=[NH2+])NC1=NC=C(Cl)C2C=CC(=CC=21)S(=O)(=O)N1CCCC1C(=O)[O-],8.0,2vnt_protein.pt,2vnt_pocket.pt,2vnt_ligand.pt
2i4x,CCOP(=O)(COC1C=CC(=CC=1)CC(NC(=O)OC1COC2OCCC12)C(O)CN(CC(C)C)S(=O)(=O)C1C=CC(=CC=1)OC)OCC,11.72,2i4x_protein.pt,2i4x_pocket.pt,2i4x_ligand.pt
1hvs,CC(C)C(NC(=O)N(C)CC1=CC=CC=N1)C(=O)NC(CC1C=CC=CC=1)C(O)C(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)N(C)CC1=CC=CC=N1)C(C)C,10.3,1hvs_protein.pt,1hvs_pocket.pt,1hvs_ligand.pt
3pe1,O=C([O-])C1=CC=C2C(=C1)N=C(NC1C=CC=C(Cl)C=1)C1C=CN=CC=12,9.65,3pe1_protein.pt,3pe1_pocket.pt,3pe1_ligand.pt
5m23,CC(NC(=O)C([NH3+])CO)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC(C)C(=O)NCC1C=CC(=CC=1)N=NC1C=CC(=CC=1)C(=O)NC(C(=O)[O-])C(C)C,8.9,5m23_protein.pt,5m23_pocket.pt,5m23_ligand.pt
3iw5,O=C(CSC1=CN(CCNC(=O)C2C=CC=C(C=2)C(F)(F)F)C2=CC=CC=C12)NC1C=CC2OCCOC=2C=1,6.08,3iw5_protein.pt,3iw5_pocket.pt,3iw5_ligand.pt
4idn,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)NP(=O)(=O)=O)C(O)C1O,5.24,4idn_protein.pt,4idn_pocket.pt,4idn_ligand.pt
186l,CCCCC1C=CC=CC=1,4.85,186l_protein.pt,186l_pocket.pt,186l_ligand.pt
4rra,CC(O)C([NH3+])C(=O)NC1C(CO)OC(C1O)N1C=NC2C1=NC=NC=2N,4.87,4rra_protein.pt,4rra_pocket.pt,4rra_ligand.pt
1srg,CC1C=C(C=CC=1O)N=NC1C=CC=CC=1C(=O)[O-],5.3,1srg_protein.pt,1srg_pocket.pt,1srg_ligand.pt
5itp,CC([NH2+]C(CCCNC(N)=[NH2+])C(=O)[O-])C(=O)[O-],5.0,5itp_protein.pt,5itp_pocket.pt,5itp_ligand.pt
4iid,OCC1[NH2+]CC(O)C(O)C1O,5.62,4iid_protein.pt,4iid_pocket.pt,4iid_ligand.pt
6b7b,COC1=CC=C2NC(C)=CC2=C1,2.89,6b7b_protein.pt,6b7b_pocket.pt,6b7b_ligand.pt
2rkg,CC1=CC=CC(C)=C1OCC(=O)NC(CC1C=CC=CC=1)C(O)CC(CC1C=CC=CC=1)NC(=O)C(C(C)C)N1CCCNC1=O,8.09,2rkg_protein.pt,2rkg_pocket.pt,2rkg_ligand.pt
2xp7,O=C([O-])C1N=C(NC=1C(=O)[O-])C1C=CC=CC=1,5.77,2xp7_protein.pt,2xp7_pocket.pt,2xp7_ligand.pt
3t3c,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,10.23,3t3c_protein.pt,3t3c_pocket.pt,3t3c_ligand.pt
2weg,NS(=O)(=O)C1=CC=CC=C1F,6.5,2weg_protein.pt,2weg_pocket.pt,2weg_ligand.pt
3cd7,CC(C)N1C(CCC(O)CC(O)CC(=O)[O-])=C(C2C=CC(F)=CC=2)C(C2C=CC(F)=CC=2)=C1C(=O)NC1C=CC=CC=1,7.84,3cd7_protein.pt,3cd7_pocket.pt,3cd7_ligand.pt
5mnn,NC(=[NH2+])N1CCCCC1,3.84,5mnn_protein.pt,5mnn_pocket.pt,5mnn_ligand.pt
3kgt,O=C1C(=COC2C=C(O)C=C(O)C=21)C1C=CC(O)=CC=1,5.51,3kgt_protein.pt,3kgt_pocket.pt,3kgt_ligand.pt
5ahw,NC1=NC=NC2=C1N=CN2C1OC2CO[P](=O)(=O)OC2C1O,5.17,5ahw_protein.pt,5ahw_pocket.pt,5ahw_ligand.pt
5hz9,CC1N=C2C=CC(Cl)=CC2=C(C2C=CC=CC=2)C=1C(=O)[O-],7.03,5hz9_protein.pt,5hz9_pocket.pt,5hz9_ligand.pt
5fe7,CC1=NN(CCO)C2CCCC(=O)C=21,3.31,5fe7_protein.pt,5fe7_pocket.pt,5fe7_ligand.pt
5vyy,COC(=O)C1=C(O)C=C(O)C(Cl)=C1CCC1=NC=CN1CC1C=CC=CC=1,6.21,5vyy_protein.pt,5vyy_pocket.pt,5vyy_ligand.pt
3uzj,C1=CC=C2NN=NC2=C1,5.55,3uzj_protein.pt,3uzj_pocket.pt,3uzj_ligand.pt
3zq9,OCC1C[NH2+]C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,6.02,3zq9_protein.pt,3zq9_pocket.pt,3zq9_ligand.pt
1nhu,O=C([O-])C(CC1C=CC=CC=1)N(CC1=CC=CC(=C1)C(F)(F)F)C(=O)C1=CC=C(Cl)C=C1Cl,5.66,1nhu_protein.pt,1nhu_pocket.pt,1nhu_ligand.pt
4abg,C[NH+]1CCN(CC1)C1C=C(C=CC=1)C[NH3+],3.57,4abg_protein.pt,4abg_pocket.pt,4abg_ligand.pt
4qj0,NS(=O)(=O)C1C(F)=C(NC(C2C=CC=CC=2)C(O)C2C=CC=CC=2)C(=C(F)C=1F)S(=O)(=O)CCO,7.32,4qj0_protein.pt,4qj0_pocket.pt,4qj0_ligand.pt
2vzr,O=C([O-])C1OC(O)C(O)C(O)C1O,4.28,2vzr_protein.pt,2vzr_pocket.pt,2vzr_ligand.pt
4zba,[NH3+]C(CCC(=O)NC(CSSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-],5.51,4zba_protein.pt,4zba_pocket.pt,4zba_ligand.pt
2uwl,CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)C=CC2=CC=C(Cl)S2)C1=O,8.4,2uwl_protein.pt,2uwl_pocket.pt,2uwl_ligand.pt
5yfs,O=P(=O)(=O)OCC1OC(OP(=O)(=O)=O)C(O)C1O,4.86,5yfs_protein.pt,5yfs_pocket.pt,5yfs_ligand.pt
2ceq,OCC1C(O)C(O)C(O)C2=NC=CN21,7.28,2ceq_protein.pt,2ceq_pocket.pt,2ceq_ligand.pt
2ans,O=S(=O)([O-])C1=CC=CC2C=CC=C(NC3C=CC=CC=3)C=21,5.92,2ans_protein.pt,2ans_pocket.pt,2ans_ligand.pt
10gs,[NH3+]C(CCC(=O)NC(CSCC1C=CC=CC=1)C(=O)NC(C(=O)[O-])C1C=CC=CC=1)C(=O)[O-],6.4,10gs_protein.pt,10gs_pocket.pt,10gs_ligand.pt
5f1x,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.11,5f1x_protein.pt,5f1x_pocket.pt,5f1x_ligand.pt
3td4,[NH3+]C(CCCC([NH3+])C(=O)[O-])C(=O)[O-],5.66,3td4_protein.pt,3td4_pocket.pt,3td4_ligand.pt
1pme,CS(=O)C1C=CC(=CC=1)C1=NC(C2C=CC(F)=CC=2)=C(N1)C1C=CN=CC=1,9.4,1pme_protein.pt,1pme_pocket.pt,1pme_ligand.pt
3ffg,O=C1NN=C(N1)C1=CC=CC(=C1)N1N=C(C2CCN(C(=O)C=21)C1C=CC(=CC=1)C1=CC=CC=C1C[NH+]1CCC(O)C1)C(F)(F)F,9.08,3ffg_protein.pt,3ffg_pocket.pt,3ffg_ligand.pt
2arm,C[NH+]1C2CCC1CC(C2)OC(=O)C(CO)C1C=CC=CC=1,7.68,2arm_protein.pt,2arm_pocket.pt,2arm_ligand.pt
2pyn,CC1C(=CC=CC=1O)C(=O)NC(CSC1C=CC=CC=1)C(O)C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C,7.57,2pyn_protein.pt,2pyn_pocket.pt,2pyn_ligand.pt
1f8e,CC(=O)NC1C([NH3+])C=C(OC1C(O)C(O)C[NH3+])C(=O)[O-],4.82,1f8e_protein.pt,1f8e_pocket.pt,1f8e_ligand.pt
3twp,O=C([O-])C1C=CC=CC=1O,3.92,3twp_protein.pt,3twp_pocket.pt,3twp_ligand.pt
3qps,CC(CCC(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,5.6,3qps_protein.pt,3qps_pocket.pt,3qps_ligand.pt
2p16,COC1C=CC(=CC=1)N1N=C(C(N)=O)C2CCN(C(=O)C=21)C1C=CC(=CC=1)N1CCCCC1=O,10.1,2p16_protein.pt,2p16_pocket.pt,2p16_ligand.pt
1z9y,NS(=O)(=O)C1C=C(C(=O)[O-])C(=CC=1Cl)NCC1=CC=CO1,7.19,1z9y_protein.pt,1z9y_pocket.pt,1z9y_ligand.pt
5za8,CN1C=C(C=N1)C1N=C(C(=O)NC(N)=[NH2+])C(N)=NC=1N1CCCCCC1,6.29,5za8_protein.pt,5za8_pocket.pt,5za8_ligand.pt
5evk,O=C([O-])C1CSC2CSC(CS)[NH+]21,4.92,5evk_protein.pt,5evk_pocket.pt,5evk_ligand.pt
1kpm,CC1C(C)=C2OC(C)(CCCC(C)CC=CC(C)C=CCC(C)C)CCC2=C(C)C=1O,5.8,1kpm_protein.pt,1kpm_pocket.pt,1kpm_ligand.pt
3kgu,O=C1C(=COC2C=C(O)C=C(O)C=21)C1C=CC(O)=CC=1,5.92,3kgu_protein.pt,3kgu_pocket.pt,3kgu_ligand.pt
3eb1,O=C([O-])C(=O)CC(O)C1C=CC=C(C=1)N(CC1C=CC=CC=1)CC1C=CC=CC=1,4.79,3eb1_protein.pt,3eb1_pocket.pt,3eb1_ligand.pt
4x48,CC(C)S(=O)(=O)NC1COCC1OC1C=CC(=CC=1)C1=CC=C(C#N)S1,6.77,4x48_protein.pt,4x48_pocket.pt,4x48_ligand.pt
4f5y,NC1=NC2=C(N=CN2C2OC3CO[P](=O)(=O)OC4C(CO[P](=O)(=O)OC3C2O)OC(C4O)N2C=NC3C(=O)NC(N)=NC=32)C(=O)N1,5.43,4f5y_protein.pt,4f5y_pocket.pt,4f5y_ligand.pt
1oss,N=[C+](=N)C1C=CC=CC=1,4.79,1oss_protein.pt,1oss_pocket.pt,1oss_ligand.pt
4bqg,OC1=CC(O)=CC(=C1)OC1C=CC(Cl)=C(Cl)C=1,6.22,4bqg_protein.pt,4bqg_pocket.pt,4bqg_ligand.pt
3fuz,[NH3+]C(CCC(=O)[O-])C(=O)[O-],6.54,3fuz_protein.pt,3fuz_pocket.pt,3fuz_ligand.pt
5ldp,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.17,5ldp_protein.pt,5ldp_pocket.pt,5ldp_ligand.pt
1rbp,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,6.72,1rbp_protein.pt,1rbp_pocket.pt,1rbp_ligand.pt
3vf5,COC1C=CC(=CC=1)S(=O)(=O)N(CC1CCC(=O)N1)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CC2CCOC2C1,9.34,3vf5_protein.pt,3vf5_pocket.pt,3vf5_ligand.pt
4pnu,O=C(CN1C2=CC=C(Br)C=C2C2CCC(CC=21)C(=O)[O-])NC(CC1C=CC=CC=1)C(=O)[O-],4.89,4pnu_protein.pt,4pnu_pocket.pt,4pnu_ligand.pt
4iuo,O=C([O-])C1(O)CC(O)C(O)C(O)C1,3.64,4iuo_protein.pt,4iuo_pocket.pt,4iuo_ligand.pt
3zps,C=CCNC(=O)C(NC(=O)C(O)(CCC[NH+](CC1C=CC(Br)=CC=1)NC(=O)C(NC(=O)OC)C(C)(C)C)CC1C=CC=CC=1)C(C)(C)C,8.3,3zps_protein.pt,3zps_pocket.pt,3zps_ligand.pt
2wf5,O=P(=O)(=O)OCC1OC(O)C(O)C(O)C1O,6.0,2wf5_protein.pt,2wf5_pocket.pt,2wf5_ligand.pt
5byi,NC1C=CC(=CC=1)NNC1C=CC(=CC=1)S(N)(=O)=O,7.51,5byi_protein.pt,5byi_pocket.pt,5byi_ligand.pt
2rcb,[NH3+]C(CO)C(=O)[O-],6.79,2rcb_protein.pt,2rcb_pocket.pt,2rcb_ligand.pt
4n5d,CC1N=CC2CC(=N)C(=O)N(C)C=2N=1,3.22,4n5d_protein.pt,4n5d_pocket.pt,4n5d_ligand.pt
4cpy,CCC(CC)OC1C=C(CC([NH3+])C1NC(C)=O)C(=O)[O-],6.31,4cpy_protein.pt,4cpy_pocket.pt,4cpy_ligand.pt
5mpk,CCOC1C=CC(=CC=1NC(=O)C1=CC(=CC(=C1)C1=NN=NN1)C1=CSC=N1)C(C)=O,8.52,5mpk_protein.pt,5mpk_pocket.pt,5mpk_ligand.pt
4q99,CC1=CC=C(O)C(S)=C1,6.28,4q99_protein.pt,4q99_pocket.pt,4q99_ligand.pt
3n9s,O=C(COP(=O)(=O)=O)N(O)CCCCOP(=O)(=O)=O,5.26,3n9s_protein.pt,3n9s_pocket.pt,3n9s_ligand.pt
1lan,CC(C)CC([NH3+])C(=O)[O-],7.22,1lan_protein.pt,1lan_pocket.pt,1lan_ligand.pt
4i8n,O=C([O-])C(=O)NC1C=CC(=CC=1)CC(C1=NC2C=CC=CC=2O1)S(=O)(=O)NC1C=CC(F)=CC=1,4.46,4i8n_protein.pt,4i8n_pocket.pt,4i8n_ligand.pt
6ej2,COC1CCC2(CC3C=CC(=CC=3C23CO[C+](=N)N3)C2C=NC=NC=2)CC1C,7.8,6ej2_protein.pt,6ej2_pocket.pt,6ej2_ligand.pt
4rwj,COC1=CC(=CC(=C1)OC)CCC1=CC(=NN1)NC(=O)C1C=CC(=CC=1)N1CC(C)[NH2+]C(C)C1,8.7,4rwj_protein.pt,4rwj_pocket.pt,4rwj_ligand.pt
4ibj,O=C([O-])C1=CC=CC(=C1)N1C(=O)C(O)=C(C(=O)C2C=CC=C(C=2)C(F)(F)F)C1C1=CC=CC(=C1)C(F)(F)F,4.33,4ibj_protein.pt,4ibj_pocket.pt,4ibj_ligand.pt
3k8q,O=C1NC=NC2C(=CNC=21)C[NH2+]C(CO)CO,11.28,3k8q_protein.pt,3k8q_pocket.pt,3k8q_ligand.pt
1bv9,O=C(NC1=NC=CS1)C1C=C(C=CC=1)CN1C(=O)N(CC2C=CC=C(C=2)C(=O)NC2=NC=CS2)C(CC2C=CC=CC=2)C(O)C(O)C1CC1C=CC=CC=1,9.96,1bv9_protein.pt,1bv9_pocket.pt,1bv9_ligand.pt
2r3w,NC1C=CC(=CC=1)S(=O)(=O)N(CC1C=CC=CC=1)C1C[NH2+]CC1N(CC1C=CC=CC=1)S(=O)(=O)C1C=CC(N)=CC=1,6.89,2r3w_protein.pt,2r3w_pocket.pt,2r3w_ligand.pt
4ngm,CC(=O)N(CCCCC(NC(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])CC1C=CC(Br)=CC=1,10.35,4ngm_protein.pt,4ngm_pocket.pt,4ngm_ligand.pt
4x8v,COC(=O)NC1=CC=C(C(=C1)C1CCCN1C(=O)C(NC1C=CC2CCNC(=O)C=2C=1)C1C=C(OC)C(=CC=1)OC)S(=O)(=O)C(C)C,6.89,4x8v_protein.pt,4x8v_pocket.pt,4x8v_ligand.pt
3ps1,CC(O)C(NC(=O)C1C=CC(C#CC#CC2C=CC(N)=CC=2)=CC=1)C(=O)N=O,10.17,3ps1_protein.pt,3ps1_pocket.pt,3ps1_ligand.pt
3n2v,O=C(CN(CCO)S(=O)(=O)C1C=CC(=CC=1)C1C=CC=CC=1)NO,7.51,3n2v_protein.pt,3n2v_pocket.pt,3n2v_ligand.pt
4b1j,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2[NH2+]CC(O)C2O)C(O)C1O,7.3,4b1j_protein.pt,4b1j_pocket.pt,4b1j_ligand.pt
4o2p,ClC(CN1N=CC2C1=NC(=NC=2NC1C=CC=CC=1)SCC[NH+]1CCOCC1)C1C=CC=CC=1,6.7,4o2p_protein.pt,4o2p_pocket.pt,4o2p_ligand.pt
4bc5,O=C(CO)C(O)C(O)CF,4.6,4bc5_protein.pt,4bc5_pocket.pt,4bc5_ligand.pt
2qpq,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-],6.37,2qpq_protein.pt,2qpq_pocket.pt,2qpq_ligand.pt
3o5n,O=C([O-])C1C=CC(=C2C=1NC(C(=O)[O-])C1CCCC21)[N+](=O)[O-],4.76,3o5n_protein.pt,3o5n_pocket.pt,3o5n_ligand.pt
4eu0,NC1=NC2=C(N=CN2C2OC3CO[P](=O)(=O)OC4C(CO[P](=O)(=O)OC3C2O)OC(C4O)N2C=NC3C(=O)NC(N)=NC=32)C(=O)N1,6.4,4eu0_protein.pt,4eu0_pocket.pt,4eu0_ligand.pt
1det,NC1=NC2=C(N=CN2C2OC(CO)C(O)C2OP(=O)(=O)=O)C(=O)N1,4.3,1det_protein.pt,1det_pocket.pt,1det_ligand.pt
4owm,NC1C(=CC=CC=1F)C(=O)[O-],2.96,4owm_protein.pt,4owm_pocket.pt,4owm_ligand.pt
6g36,NC1N=CN=C2C=1C(Cl)=CN2C1OC(CO)C(O)C1O,7.79,6g36_protein.pt,6g36_pocket.pt,6g36_ligand.pt
3o84,O=C([O-])C1=CC(=NC2=C1C=NN2CC1C=CN=CC=1)C1C=CC=CC=1,7.24,3o84_protein.pt,3o84_pocket.pt,3o84_ligand.pt
3ui7,COC1=CC2C(=NC3=NNC(C)=C3C=2C[NH+]2CCOCC2)C(C)=C1,9.0,3ui7_protein.pt,3ui7_pocket.pt,3ui7_ligand.pt
4lzr,COC1=CC=C2C(=CC1=O)C(CCC1C=C(OC)C(OC)=C(OC)C=12)NC(C)=O,4.7,4lzr_protein.pt,4lzr_pocket.pt,4lzr_ligand.pt
4ufk,OCC1[NH2+]CC(O)C1O,3.89,4ufk_protein.pt,4ufk_pocket.pt,4ufk_ligand.pt
5b5f,CNS(=O)(=O)C1C=C(C=CC=1)C1=CC2C(=O)N=CCC=2O1,5.25,5b5f_protein.pt,5b5f_pocket.pt,5b5f_ligand.pt
4br3,C[N+](C)=C1C=CN(C=C1)CC1C=CC(=CC=1)C1C=CC(=CC=1)CN1C=NC(N)=C2N=CN=C21,5.72,4br3_protein.pt,4br3_pocket.pt,4br3_ligand.pt
1ftm,CC1ONC(=O)C=1CC([NH3+])C(=O)[O-],7.61,1ftm_protein.pt,1ftm_pocket.pt,1ftm_ligand.pt
1uz4,O=C1NCC(CO)C(O)C1O,3.4,1uz4_protein.pt,1uz4_pocket.pt,1uz4_ligand.pt
4db7,NC1=NC2N=NC(CCC(=O)[O-])=C(O)C=2C(=O)N1,6.56,4db7_protein.pt,4db7_pocket.pt,4db7_ligand.pt
3i73,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.49,3i73_protein.pt,3i73_pocket.pt,3i73_ligand.pt
3i3b,O=C1OC(CO)C(O)C(O)C1O,2.23,3i3b_protein.pt,3i3b_pocket.pt,3i3b_ligand.pt
6fo5,CCN1C=NC2=C1C(=O)NC(=O)N2CC1C=CC(=CC=1)CNS(=O)(=O)C1C=CC2NC(=O)CCCC=2C=1,6.72,6fo5_protein.pt,6fo5_pocket.pt,6fo5_ligand.pt
3r16,NS(=O)(=O)C1C=CC(=CC=1)NC(=O)CC1=CC=CS1,7.3,3r16_protein.pt,3r16_pocket.pt,3r16_ligand.pt
2z1w,CCCCC1=NC2C(=O)NNC(=O)C=2N1,4.08,2z1w_protein.pt,2z1w_pocket.pt,2z1w_ligand.pt
3d0e,CCN1C(=NC2C(C#CC(C)(C)O)=NC=C(OCC3CCC[NH2+]C3)C=21)C1=NON=C1N,8.4,3d0e_protein.pt,3d0e_pocket.pt,3d0e_ligand.pt
1koj,O=NC(=O)C(O)C(O)C(O)COP(=O)(=O)=O,6.7,1koj_protein.pt,1koj_pocket.pt,1koj_ligand.pt
1g7f,CCCCCNC(=O)C(CC1C=CC(=CC=1)OC(C(=O)[O-])C(=O)[O-])NC(=O)NC(CC1C=CC=CC=1)C(=O)[O-],5.47,1g7f_protein.pt,1g7f_pocket.pt,1g7f_ligand.pt
4ago,CC[NH+](CC)C1CC[NH+](CC1)CC1=CC(C#CCNC(=O)OC(C)(C)C)=CC(I)=C1O,4.81,4ago_protein.pt,4ago_pocket.pt,4ago_ligand.pt
5flq,O=C([O-])CC1C=CC(=CC=1)OCC1C=CC=CC=1,2.97,5flq_protein.pt,5flq_pocket.pt,5flq_ligand.pt
4ovf,O=C([O-])C1CCC2=C(C1)NC1C=CC(Cl)=CC=12,4.13,4ovf_protein.pt,4ovf_pocket.pt,4ovf_ligand.pt
2fx6,NC1=NC2=CC=CC=C2N1,3.7,2fx6_protein.pt,2fx6_pocket.pt,2fx6_ligand.pt
1ec2,CNC(=O)C(NC(=O)C(OCC1C=CC(=CC=1)C1C=NC=CC=1)C(O)C(O)C(OCC1C=CC(=CC=1)C1C=NC=CC=1)C(=O)NC(C(=O)NC)C(C)C)C(C)C,10.0,1ec2_protein.pt,1ec2_pocket.pt,1ec2_ligand.pt
3h8b,NC(=[NH2+])NCCCC(NC(=O)C(CC=CCNC(=O)CC1C=CC(=CC=1)C1C=CC=CC=1)NC(=O)CC1C=CC(CC1)C1CCCCC1)C(=O)NC(CC1C=CCCC1)C(=O)NCCC1CCCCC1,6.29,3h8b_protein.pt,3h8b_pocket.pt,3h8b_ligand.pt
2xm1,CC(=O)NC1C(=O)NC(CO)C(O)C1O,5.07,2xm1_protein.pt,2xm1_pocket.pt,2xm1_ligand.pt
4ei4,CC1=NC2=CN=C3NC=CC3=C2N1C1CCCC(O)C1,8.74,4ei4_protein.pt,4ei4_pocket.pt,4ei4_ligand.pt
4kmz,[NH2+]=C1NC(=O)C2N=C(C=NC=2N1)CNC1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],8.57,4kmz_protein.pt,4kmz_pocket.pt,4kmz_ligand.pt
2uz9,O=C1NC(=O)C2NC=NC=2N1,5.71,2uz9_protein.pt,2uz9_pocket.pt,2uz9_ligand.pt
3r7o,CN(CC1COCCO1)S(=O)(=O)NC1C=CC2C=CC3N=CC(=CC=3C(=O)C=2C=1)C1C=NN(C=1)C1CC[NH2+]CC1,8.36,3r7o_protein.pt,3r7o_pocket.pt,3r7o_ligand.pt
2j34,CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)C2=CC3C=CC(Cl)=CC=3S2)C1=O,7.82,2j34_protein.pt,2j34_pocket.pt,2j34_ligand.pt
4z93,COC1C=C2C(=CC=1C1C(C)=NOC=1C)NC1=CC=NC(C3C(=NNC=3C)C3CC3)=C12,7.35,4z93_protein.pt,4z93_pocket.pt,4z93_ligand.pt
2glp,O=C(NN=CC1=CC(Br)=C(O)C(Br)=C1O)C1C=CC=NC=1,5.01,2glp_protein.pt,2glp_pocket.pt,2glp_ligand.pt
3n0n,NS(=O)(=O)C1C=CC(=CC=1)NC(=O)NC1C(F)=C(F)C(F)=C(F)C=1F,7.3,3n0n_protein.pt,3n0n_pocket.pt,3n0n_ligand.pt
3rm9,NC(=[NH2+])N1CCN(CC1)C1C=CC(Cl)=CC=1,4.77,3rm9_protein.pt,3rm9_pocket.pt,3rm9_ligand.pt
1sln,CC([NH2+]C(CCC1C=CC=CC=1)C(=O)NC(CCCNC(N)=[NH2+])C(=O)NC1C=CC=CC=1)C(=O)[O-],6.64,1sln_protein.pt,1sln_pocket.pt,1sln_ligand.pt
4jym,CC1C(=O)OC2COC=CC=21,5.04,4jym_protein.pt,4jym_pocket.pt,4jym_ligand.pt
4qnb,CC1NC2=CC=CC=C2C=1CC(=O)NC(CC1C=CC=CC=1)C(=O)N(C)C1C=CC=CC=1,6.59,4qnb_protein.pt,4qnb_pocket.pt,4qnb_ligand.pt
5fog,CCCC([NH3+])C(=O)NC1C(O)C(CO)OC1N1C=NC2C(=N)N=CNC=21,3.67,5fog_protein.pt,5fog_pocket.pt,5fog_ligand.pt
3ip6,O=C([O-])C1CCC[NH2+]1,6.6,3ip6_protein.pt,3ip6_pocket.pt,3ip6_ligand.pt
1w4q,O=C1C=CN(C(=O)N1)C1OC(CO)C(OP(=O)(=O)=O)C1F,5.26,1w4q_protein.pt,1w4q_pocket.pt,1w4q_ligand.pt
4np9,O=P(=O)(=O)OC1C(O)C(O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,5.03,4np9_protein.pt,4np9_pocket.pt,4np9_ligand.pt
2pk6,CSCC(NC(=O)COC1=CC=CC2=CN=CC=C21)C(=O)NC(CC1C=CC=CC=1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NC1C2=CC=CC=C2CC1O,10.89,2pk6_protein.pt,2pk6_pocket.pt,2pk6_ligand.pt
4uja,O=C1NC=NC2C=C(C=CC=21)C1C[NH2+]CC1C(=O)C1=CC=C(Br)S1,9.05,4uja_protein.pt,4uja_pocket.pt,4uja_ligand.pt
5er1,CCC(C)C(NC(=O)C([NH2+]CC(O)C([NH3+])CC(C)C)C(C)C)C(=O)NC(CC1C=CC=CC=1)C(=O)OC,6.02,5er1_protein.pt,5er1_pocket.pt,5er1_ligand.pt
4i5c,N#CCC(=O)N1CCCC(C1)N1N=NC2C=NC3NC=CC=3C=21,8.82,4i5c_protein.pt,4i5c_pocket.pt,4i5c_ligand.pt
1c5p,N=[C+](=N)C1C=CC=CC=1,4.68,1c5p_protein.pt,1c5p_pocket.pt,1c5p_ligand.pt
2r9w,O=C([O-])C1C=CC2C(=O)N(C(=O)C=2C=1)C(CC1=CC=CC2=CC=CC=C21)C(=O)[O-],5.1,2r9w_protein.pt,2r9w_pocket.pt,2r9w_ligand.pt
5d0r,OC1C(=CC(Cl)=CC=1Cl)SC1=CC(Cl)=CC(Cl)=C1O,6.37,5d0r_protein.pt,5d0r_pocket.pt,5d0r_ligand.pt
3exe,CC1=NC=C(CN2CSC(CCO[P](=O)(=O)OP(=O)(=O)=O)=C2C)C(N)=N1,6.96,3exe_protein.pt,3exe_pocket.pt,3exe_ligand.pt
4k5p,N=[C+](=N)C1C=CC(=CC=1)C([NH3+])P(=O)(=O)=O,3.46,4k5p_protein.pt,4k5p_pocket.pt,4k5p_ligand.pt
3p8z,[NH3+]C(CCSCC1OC(C(O)C1O)N1C=NC2C1=NC=NC=2NCC1C=CC=C(Cl)C=1)C(=O)[O-],6.09,3p8z_protein.pt,3p8z_pocket.pt,3p8z_ligand.pt
3vd9,CC(C)SC1OC(CO)C(O)C(O)C1O,4.0,3vd9_protein.pt,3vd9_pocket.pt,3vd9_ligand.pt
1qy2,COC1=NC=CN=C1C(C)C,5.74,1qy2_protein.pt,1qy2_pocket.pt,1qy2_ligand.pt
2bes,O=C(NO)C(O)C(O)COP(=O)(=O)=O,4.24,2bes_protein.pt,2bes_pocket.pt,2bes_ligand.pt
4avs,CC(=O)N1CCCC1C(=O)[O-],3.49,4avs_protein.pt,4avs_pocket.pt,4avs_ligand.pt
3zj6,OCC1C(O)C(O)C(O)C1[NH2+]CC1CCCCC1,6.66,3zj6_protein.pt,3zj6_pocket.pt,3zj6_ligand.pt
2ogy,CN1C2C(=O)NC(N)=NC=2NCC1CNC1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],4.48,2ogy_protein.pt,2ogy_pocket.pt,2ogy_ligand.pt
2f2h,O=[N+]([O-])C1C=CC(=CC=1)OC1OC(CSC2OCC(O)C(O)C2O)C(O)C(O)C1O,5.7,2f2h_protein.pt,2f2h_pocket.pt,2f2h_ligand.pt
1m1b,O=C([O-])C(=O)CS(=O)(=O)[O-],4.66,1m1b_protein.pt,1m1b_pocket.pt,1m1b_ligand.pt
3zhx,O=C(C1C=CC=CC=1)N(O)CCC(C1C=C(Cl)C(Cl)=CC=1)P(=O)(=O)=O,6.68,3zhx_protein.pt,3zhx_pocket.pt,3zhx_ligand.pt
1hp5,CC1=NC2C(OC(CO)C(O)C2O)S1,6.55,1hp5_protein.pt,1hp5_pocket.pt,1hp5_ligand.pt
3kwa,[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+],4.08,3kwa_protein.pt,3kwa_pocket.pt,3kwa_ligand.pt
1os5,CC1C=C(SC2C(=O)OC(CCC3C=CC(O)=CC=3)(CC=2O)C2CCCC2)C(=CC=1N)C(C)(C)C,6.85,1os5_protein.pt,1os5_pocket.pt,1os5_ligand.pt
4qac,CC1CCN(CC1)C1=CC(=NC(N)=N1)C1C=CC(=CC=1)C(F)(F)F,9.4,4qac_protein.pt,4qac_pocket.pt,4qac_ligand.pt
1cnw,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCCOCCOCCNC(=O)C[NH3+],7.72,1cnw_protein.pt,1cnw_pocket.pt,1cnw_ligand.pt
1qf2,O=C(NCC(=O)N1C(CCC1C1C=CC=CC=1)C(=O)[O-])C(S)CC1C=CC=CC=1,5.92,1qf2_protein.pt,1qf2_pocket.pt,1qf2_ligand.pt
2i4w,CCOP(=O)(COC1C=CC(=CC=1)CC(NC(=O)OC1COC2OCCC12)C(O)CN(CC(C)C)S(=O)(=O)C1C=CC(=CC=1)OC)OCC,11.59,2i4w_protein.pt,2i4w_pocket.pt,2i4w_ligand.pt
3kdc,CC1(C)SCN(C(=O)C(O)C(CC2C=CC=CC=2)NC(=O)COC2C(Cl)=CC=CC=2Cl)C1C(=O)NC1C2=CC=CC=C2CC1O,9.28,3kdc_protein.pt,3kdc_pocket.pt,3kdc_ligand.pt
5zc5,NC(=[NH2+])NC(=O)C1N=C(C2=CC3C(=CC=CC=3F)O2)C(=NC=1N)N1CCCCCC1,7.06,5zc5_protein.pt,5zc5_pocket.pt,5zc5_ligand.pt
4q4q,O=C1NC=NC2C=C3NC(=NC3=CC=21)NCC1=CC=CS1,5.79,4q4q_protein.pt,4q4q_pocket.pt,4q4q_ligand.pt
4o04,C[NH+]1CCC2C3C(=O)CC(C)(C)CC=3N(C3C=CC(=CC=3)C(N)=O)C=2C1,6.16,4o04_protein.pt,4o04_pocket.pt,4o04_ligand.pt
4q1y,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,10.35,4q1y_protein.pt,4q1y_pocket.pt,4q1y_ligand.pt
1jmf,O=C1C=CN(C(=O)N1)C1CC(O)C(COP(=O)(=O)=O)O1,5.77,1jmf_protein.pt,1jmf_pocket.pt,1jmf_ligand.pt
2q89,CC1=NC(C(=O)[O-])C(O)CN1,6.3,2q89_protein.pt,2q89_pocket.pt,2q89_ligand.pt
4tjz,CCCCCCCC=CC(=O)[O-],5.97,4tjz_protein.pt,4tjz_pocket.pt,4tjz_ligand.pt
3sr4,CNC1N=CN=C2C=1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,6.54,3sr4_protein.pt,3sr4_pocket.pt,3sr4_ligand.pt
3uo4,O=C([O-])C1C=CC(=CC=1)NC1N=CC=C(N=1)NC1=CC=CC=C1C1C=CC=CC=1,6.52,3uo4_protein.pt,3uo4_pocket.pt,3uo4_ligand.pt
5ewy,O=C([O-])CCCN1C=CC2=NC(=O)C3=CC(F)=CC=C3C2=C1,4.3,5ewy_protein.pt,5ewy_pocket.pt,5ewy_ligand.pt
4mc9,CC(C)C1CC2=CC(F)=CC=C2S(=O)(=O)N(CC(O)C(CC2C=CC=CC=2)NC(=O)OC2CCOC2)C1,9.44,4mc9_protein.pt,4mc9_pocket.pt,4mc9_ligand.pt
3t3u,COC1C=CC2=CC(=CC=C2C=1)C1=NN(CC2CC[NH2+]CC2)C2=NC=NC(N)=C12,8.6,3t3u_protein.pt,3t3u_pocket.pt,3t3u_ligand.pt
2b9a,O=C([O-])C1C=CC(=CC=1)C1C=C(F)C=C(F)C=1,8.05,2b9a_protein.pt,2b9a_pocket.pt,2b9a_ligand.pt
5g4n,C[NH2+]CC1C=CC2=C(C=1)C1C=CC=CC=1N2CC(F)F,4.0,5g4n_protein.pt,5g4n_pocket.pt,5g4n_ligand.pt
2i80,CC(C)(CCl)C(=O)NC1C=CC(=CC=1)C(F)(F)F,5.4,2i80_protein.pt,2i80_pocket.pt,2i80_ligand.pt
3nb5,NS(=O)(=O)C1C=CC(=CC=1)CCNC(=O)CC1=CC=C(O)C(Cl)=C1,7.74,3nb5_protein.pt,3nb5_pocket.pt,3nb5_ligand.pt
4rpo,OC1C(Cl)=CC(Cl)=CC=1Cl,7.64,4rpo_protein.pt,4rpo_pocket.pt,4rpo_ligand.pt
2p4s,O=C1NC=NC2C(=CNC=21)C[NH+]1CC(O)C(CO)C1,9.51,2p4s_protein.pt,2p4s_pocket.pt,2p4s_ligand.pt
3qxv,CN(CC1C=NC2N=C(N)N=C(N)C=2N=1)C1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],8.4,3qxv_protein.pt,3qxv_pocket.pt,3qxv_ligand.pt
4rqv,O=S(=O)(NC1=NC2C=CC(Cl)=CC=2S1)C1=CC2=CC=CC=C2S1,5.05,4rqv_protein.pt,4rqv_pocket.pt,4rqv_ligand.pt
4ase,COC1=CC2N=CC=C(OC3C=CC(NC(=O)NC4C=C(C)ON=4)=C(Cl)C=3)C=2C=C1OC,11.0,4ase_protein.pt,4ase_pocket.pt,4ase_ligand.pt
4xu0,CC1(O)C(O)C(COS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)OC1N1C=NC2C(N)=NC=NC=21,9.11,4xu0_protein.pt,4xu0_pocket.pt,4xu0_ligand.pt
4xir,CCCC1CC2=C(C)C3C(=O)CC(C)(C)CC=3N2C2=CC(Cl)=C(C=C2O1)C(N)=O,6.94,4xir_protein.pt,4xir_pocket.pt,4xir_ligand.pt
4i9u,COC1=CC=C(Cl)C=C1NC(=O)CSC1=CC=C(C=N1)C(=O)[O-],3.86,4i9u_protein.pt,4i9u_pocket.pt,4i9u_ligand.pt
4ksy,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC2CO[P](=O)(=O)OC3C(CO[P](=O)(=O)OC1C2O)OC(C3O)N1C=NC2C1=NC=NC=2N,8.42,4ksy_protein.pt,4ksy_pocket.pt,4ksy_ligand.pt
5aqz,NC(=O)C1=CN(C2=NC=NC(N)=C12)C1OC(CO)C(O)C1O,5.48,5aqz_protein.pt,5aqz_pocket.pt,5aqz_ligand.pt
6fng,CC1C=CC(=CC=1NC1=NC(=NC2=NN(C)C=C21)C1C=NC=CC=1)C(=O)NC1=CC=CC(=C1)C(F)(F)F,7.14,6fng_protein.pt,6fng_pocket.pt,6fng_ligand.pt
4z1j,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CCC2=CC=CC=C2C1,8.11,4z1j_protein.pt,4z1j_pocket.pt,4z1j_ligand.pt
3v2p,CCCCCCCCCCCCCCCCCC(=O)[O-],6.36,3v2p_protein.pt,3v2p_pocket.pt,3v2p_ligand.pt
1if8,CC(CNC(=O)C1C=CC(=CC=1)S(N)(=O)=O)CN1C=CC2C=CC=CC=21,9.64,1if8_protein.pt,1if8_pocket.pt,1if8_ligand.pt
6ekq,CC1=NC(C)=C(O1)C(=O)NC1=NC(=CS1)C[NH+]1CC(C)CC(C)C1,5.46,6ekq_protein.pt,6ekq_pocket.pt,6ekq_ligand.pt
4rvr,CCCOC1C=CN2C(=CC(C3=CC=CC=C3S(C)(=O)=O)=C2C=1)C(C)=O,6.87,4rvr_protein.pt,4rvr_pocket.pt,4rvr_ligand.pt
3eft,CC1(C)CC(CC(C)(C)[NH+]1O)NC(=S)NC1C=CC(=CC=1Cl)S(N)(=O)=O,7.92,3eft_protein.pt,3eft_pocket.pt,3eft_ligand.pt
4z1e,COC1=CC=C2C(=C1)CCCN2C(=O)C1C=CC(=CC=1)S(N)(=O)=O,8.24,4z1e_protein.pt,4z1e_pocket.pt,4z1e_ligand.pt
1hi5,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.04,1hi5_protein.pt,1hi5_pocket.pt,1hi5_ligand.pt
1o7o,O=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.49,1o7o_protein.pt,1o7o_pocket.pt,1o7o_ligand.pt
3ldq,NC1N=CN=C2C=1N=C(NCC1C=CC3C=CC=CC=3N=1)N2C1OC(CO)C(O)C1O,5.36,3ldq_protein.pt,3ldq_pocket.pt,3ldq_ligand.pt
5f2r,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)CP(=O)(=O)=O)C(O)C1O,4.28,5f2r_protein.pt,5f2r_pocket.pt,5f2r_ligand.pt
1i9p,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC1C(F)=CC(F)=CC=1F,8.41,1i9p_protein.pt,1i9p_pocket.pt,1i9p_ligand.pt
5alb,CCCSC1=NC(NC2CC2C2C=C(F)C(F)=CC=2)=C2N=NN(C2=N1)C1CC(OCCO)C(O)C1O,10.71,5alb_protein.pt,5alb_pocket.pt,5alb_ligand.pt
3cow,CC(C)(C)C(O)C(=O)NS(=O)(=O)OCC1OC(C(O)C1O)N1C=NC2C1=NC=NC=2N,6.9,3cow_protein.pt,3cow_pocket.pt,3cow_ligand.pt
4e3g,O=C([O-])C1C=CC(O)=CC=1,4.97,4e3g_protein.pt,4e3g_pocket.pt,4e3g_ligand.pt
3c79,O=[N+]([O-])NC1=NC=CN1CC1C=CC(Cl)=NC=1,7.2,3c79_protein.pt,3c79_pocket.pt,3c79_ligand.pt
6b4d,CCN1C=C(C2=CC=CC=C21)C1C=C(C(=O)[O-])N(C)N=1,6.11,6b4d_protein.pt,6b4d_pocket.pt,6b4d_ligand.pt
4c6u,C=CC(C)=CC1(C)SC(=O)C(C(C)=O)=C1O,4.59,4c6u_protein.pt,4c6u_pocket.pt,4c6u_ligand.pt
3d83,CC1C=CC(=CC=1C1C=CC(=CC=1)C(=O)NCC1CC1)NC(=O)C1C=CN=C(C=1)N1CCOCC1,8.36,3d83_protein.pt,3d83_pocket.pt,3d83_ligand.pt
1ew9,O=P(=O)(=O)CS,3.22,1ew9_protein.pt,1ew9_pocket.pt,1ew9_ligand.pt
4wko,NC1=NC=NC2C(=CNC=21)C[NH+]1CC(O)C(CSCCCCO)C1,9.47,4wko_protein.pt,4wko_pocket.pt,4wko_ligand.pt
1wur,N=[C+]1N=C2C(=NC(=O)N2C2CC(O)C(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)O2)C(=O)N1,6.66,1wur_protein.pt,1wur_pocket.pt,1wur_ligand.pt
3tmk,CC1=CN(C(=O)NC1=O)C1CC(O)C(CO[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2O)N2C=NC3C2=NC=NC=3N)O1,6.87,3tmk_protein.pt,3tmk_pocket.pt,3tmk_ligand.pt
4x6m,NC1=NNC2=CC(=CC=C21)C1N=C(NC=1Cl)C(CC1C=CC=CC=1)NC(=O)NCC1=CC(Cl)=CC=C1C[NH3+],8.24,4x6m_protein.pt,4x6m_pocket.pt,4x6m_ligand.pt
5ive,CC1NC2=C(C#N)C=NN2C(=O)C=1C(C)C,7.57,5ive_protein.pt,5ive_pocket.pt,5ive_ligand.pt
4rfm,CC12CC3=NNC(C(=O)NC4C=NN(C=4)C(C4C=CC=CC=4)C4CCCCS4(=O)=O)=C3CC1C2(F)F,10.05,4rfm_protein.pt,4rfm_pocket.pt,4rfm_ligand.pt
4zow,O=C(NC(CO)C(O)C1C=CC(=CC=1)[N+](=O)[O-])C(Cl)Cl,4.12,4zow_protein.pt,4zow_pocket.pt,4zow_ligand.pt
2v3u,[NH3+]C(CO)C(=O)[O-],3.0,2v3u_protein.pt,2v3u_pocket.pt,2v3u_ligand.pt
2oiq,CC1C=CC(=CC=1NC1N=CC=C(N=1)C1C=CC=NC=1)NC(=O)C1C=CC(=CC=1)C[NH+]1CC[NH+](C)CC1,5.0,2oiq_protein.pt,2oiq_pocket.pt,2oiq_ligand.pt
2pvm,N#CC1C=NN2C(=NC(=NC=12)NC1C=CC=CC=1)NCCC1=CN=CN1,6.44,2pvm_protein.pt,2pvm_pocket.pt,2pvm_ligand.pt
3myq,NS(=O)(=O)C1C=C(C=CC=1Cl)C(=O)CSC1=NC2C=NC3C=CC=CC=3C=2N1,7.52,3myq_protein.pt,3myq_pocket.pt,3myq_ligand.pt
1ocq,OCC1C[NH2+]CC(O)C1OC1OC(CO)C(O)C(O)C1O,5.19,1ocq_protein.pt,1ocq_pocket.pt,1ocq_ligand.pt
4pqa,CC(CS)C(=O)N1CCCC1C(=O)[O-],5.55,4pqa_protein.pt,4pqa_pocket.pt,4pqa_ligand.pt
1bxr,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)NP(=O)(=O)=O)C(O)C1O,3.4,1bxr_protein.pt,1bxr_pocket.pt,1bxr_ligand.pt
1jak,CC(=O)NC1[NH2+]CC(CO)C(O)C1O,5.57,1jak_protein.pt,1jak_pocket.pt,1jak_ligand.pt
2hl4,NS(=O)(=O)C1C=CC(=CC=1)NC1OC(CO)C(O)C(O)C1O,7.64,2hl4_protein.pt,2hl4_pocket.pt,2hl4_ligand.pt
6ftp,COC1=CC=CC2C(=O)C3=C(O)C4CC(O)(CC(OC5CC([NH3+])C(O)C(C)O5)C=4C(O)=C3C(=O)C=21)C(=O)CO,5.82,6ftp_protein.pt,6ftp_pocket.pt,6ftp_ligand.pt
3jy0,O=C1NC(C[NH+]2CCC(O)C2)=NC2C3C=C(Cl)C=CC=3SC=21,8.3,3jy0_protein.pt,3jy0_pocket.pt,3jy0_ligand.pt
5ew0,O=C([O-])C1CSC2CSC(CS)[NH+]21,6.59,5ew0_protein.pt,5ew0_pocket.pt,5ew0_ligand.pt
2vl4,OCC1C[NH2+]C(O)C(O)C1O,6.01,2vl4_protein.pt,2vl4_pocket.pt,2vl4_ligand.pt
2zda,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)C1CCCN1C(=O)C([NH3+])CC1C=CC=CC=1,8.4,2zda_protein.pt,2zda_pocket.pt,2zda_ligand.pt
3f16,COC1C=CC(=CC=1)S(=O)(=O)NC(CO)C(=O)NO,8.23,3f16_protein.pt,3f16_pocket.pt,3f16_ligand.pt
3ljz,O=C(CC(CC1C=CC(=CC=1)C1C=CC2OCOC=2C=1)C(=O)NC1C2=CC=CC=C2CC1O)NO,8.14,3ljz_protein.pt,3ljz_pocket.pt,3ljz_ligand.pt
5avf,[NH3+]CCS(=O)(=O)[O-],5.49,5avf_protein.pt,5avf_pocket.pt,5avf_ligand.pt
3g2y,CCC1C(=O)N(NC=1C)C1=NN=NN1,2.0,3g2y_protein.pt,3g2y_pocket.pt,3g2y_ligand.pt
1bdq,CC(C)C(NC(=O)C(CC1C=CC=CC=1)CC(O)C(CC1C=CC=CC=1)NC(=O)OC(C)(C)C)C1=NC=CN1,6.34,1bdq_protein.pt,1bdq_pocket.pt,1bdq_ligand.pt
5nap,COC1C=C2C=C(CC3CC[NH+](CC3)CC3C=CC=CC=3)C(=O)C2=CC=1OC,7.95,5nap_protein.pt,5nap_pocket.pt,5nap_ligand.pt
4o09,CC1=CN(C2C=C(CC(C)C)C3C(=O)NCCC=3C=2)C2CC(C)(C)CC(=O)C=21,7.7,4o09_protein.pt,4o09_pocket.pt,4o09_ligand.pt
1np0,CC1=NC2C(OC(CO)C(O)C2O)S1,3.57,1np0_protein.pt,1np0_pocket.pt,1np0_ligand.pt
3sug,CCC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OC1CC1CCCCCC1=NC3=CC=C(C=C3N=C1O2)OC)C(C)(C)C)C(=O)NS(=O)(=O)C1C=C1,6.21,3sug_protein.pt,3sug_pocket.pt,3sug_ligand.pt
2yk1,C[NH+]1CCCC1C1C=NC=CC=1,8.13,2yk1_protein.pt,2yk1_pocket.pt,2yk1_ligand.pt
1sdv,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC=NC=1,8.74,1sdv_protein.pt,1sdv_pocket.pt,1sdv_ligand.pt
4ceb,C=CC[NH+](CC1=CC=CC=C1C(=O)NCC1C=CC(=CC=1)OC)CC1C=CC2OC(CCC(=O)[O-])COC=2C=1C(=O)[O-],2.97,4ceb_protein.pt,4ceb_pocket.pt,4ceb_ligand.pt
4q6d,NS(=O)(=O)C1C=CC(=CC=1)N=NN1CCCCCC1,7.36,4q6d_protein.pt,4q6d_pocket.pt,4q6d_ligand.pt
6h2z,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CCC(CC1)C1C=CC=CC=1,9.3,6h2z_protein.pt,6h2z_pocket.pt,6h2z_ligand.pt
5zo8,COC1C=CC(=CC=1)C(SCC([NH3+])C(=O)[O-])(C1C=CC=CC=1)C1C=CC=CC=1,8.2,5zo8_protein.pt,5zo8_pocket.pt,5zo8_ligand.pt
3oim,CCC1=CC2=C(C=C1OS(N)(=O)=O)CCC1C2CCC2(C)C(O)CCC12,6.74,3oim_protein.pt,3oim_pocket.pt,3oim_ligand.pt
6ei5,C[NH2+]CC1=CC=CC=C1C1=CC=C2N=C(N)N=C(C(=O)N3C=C4C=CC=CC4=C3)C2=C1,7.42,6ei5_protein.pt,6ei5_pocket.pt,6ei5_ligand.pt
3ryx,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC(F)(F)C(F)(F)F,8.14,3ryx_protein.pt,3ryx_pocket.pt,3ryx_ligand.pt
4zl4,CC(C)CC(NC(=O)C(NC(=O)C(CCONC(N)=[NH2+])NC(=O)OCC1C=CC=CC=1)C(C)C)C(O)CC(=O)NCCC1C=CC=CC=1,7.86,4zl4_protein.pt,4zl4_pocket.pt,4zl4_ligand.pt
5hrx,CCCCC1=NNC2OC(=O)C3=CC=CC=C3C=21,5.29,5hrx_protein.pt,5hrx_pocket.pt,5hrx_ligand.pt
3gsm,CCCCC(=O)NC1C(=N)OC(CO)C(O)C1O,6.48,3gsm_protein.pt,3gsm_pocket.pt,3gsm_ligand.pt
4km0,CCC1=NC(N)=NC(N)=C1C1C=CC(Cl)=CC=1,6.04,4km0_protein.pt,4km0_pocket.pt,4km0_ligand.pt
4knm,CC1=CC(C)=NC(=N1)SCC(=O)C1C=C(Cl)C(=CC=1)S(N)(=O)=O,8.0,4knm_protein.pt,4knm_pocket.pt,4knm_ligand.pt
3zi0,O=C(C1=CC=CC=C1CN1C=NC=N1)N(O)CCC(C1C=CC(Cl)=C(Cl)C=1)P(=O)(=O)=O,7.4,3zi0_protein.pt,3zi0_pocket.pt,3zi0_ligand.pt
4ddk,O=C([O-])C1C=CC2OCOC=2C=1,2.29,4ddk_protein.pt,4ddk_pocket.pt,4ddk_ligand.pt
4ufj,O=C1NCC(CO)C(O)C1O,4.28,4ufj_protein.pt,4ufj_pocket.pt,4ufj_ligand.pt
5tmp,CC1=CN(C(=O)NC1=O)C1CC(N=[N+]=[N-])C(CO[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2O)N2C=NC3C(N)=NC=NC=32)O1,7.47,5tmp_protein.pt,5tmp_pocket.pt,5tmp_ligand.pt
5f5z,CC1C=NC(=NC=1NC1C=CC=C(C=1)NS(=O)(=O)C(C)(C)C)NC1C=CC(=CC=1)N1CC[NH+](C)CC1,7.07,5f5z_protein.pt,5f5z_pocket.pt,5f5z_ligand.pt
1pxp,CC1=NC(C)=C(S1)C1=CC=NC(=N1)NC1C=CC(=CC=1)N(C)C,6.66,1pxp_protein.pt,1pxp_pocket.pt,1pxp_ligand.pt
1hmt,CCCCCCCCCCCCCCCCCC(=O)[O-],5.79,1hmt_protein.pt,1hmt_pocket.pt,1hmt_ligand.pt
1zsf,CC(C)(C)OC(=O)NC(CC1C=CC=CC=1)C(O)C[NH2+]C(CC1C=CC=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)NC(CC1C=CC=CC=1)C(N)=O,9.92,1zsf_protein.pt,1zsf_pocket.pt,1zsf_ligand.pt
1y3x,CCC1C2C(C(=O)N1CC1=CC=C3OCOC3=C1)C(C1C=CC(=CC=1)[C+](=N)=N)[NH+](C)C2(C)C,5.14,1y3x_protein.pt,1y3x_pocket.pt,1y3x_ligand.pt
3fvk,[NH3+]C(CC1(CC2OCC(O)CC2O1)C(=O)[O-])C(=O)[O-],8.82,3fvk_protein.pt,3fvk_pocket.pt,3fvk_ligand.pt
2xef,O=C([O-])CCC(NC(=O)NC(CCCCN1C=C(COCCOCCOCCOCCOCCOCCOCCOCCNC2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N=N1)C(=O)[O-])C(=O)[O-],9.84,2xef_protein.pt,2xef_pocket.pt,2xef_ligand.pt
1y20,[NH3+]C1(CC1)C(=O)[O-],5.32,1y20_protein.pt,1y20_pocket.pt,1y20_ligand.pt
5upj,CCC(C1C=CC=CC=1)C1C(=O)OC2CCCCCCC=2C=1O,7.12,5upj_protein.pt,5upj_pocket.pt,5upj_ligand.pt
6gjr,CCOC(=O)CNC(=O)N(CC1C=CC(N)=CC=1)CC1N=NN(C)N=1,3.74,6gjr_protein.pt,6gjr_pocket.pt,6gjr_ligand.pt
4qb3,CC(=O)NCCCCN1C2C=CC=CC=2C2C(=O)NCCC=21,5.47,4qb3_protein.pt,4qb3_pocket.pt,4qb3_ligand.pt
3kqr,[NH3+]CCOP(=O)(=O)=O,4.43,3kqr_protein.pt,3kqr_pocket.pt,3kqr_ligand.pt
3iae,CO[P](=O)(=O)C(O)(C1CCCCC1)C1SC(CCO[P](=O)(=O)OP(=O)(=O)=O)C(C)[NH+]1CC1=CNC(C)[NH2+]C1[NH3+],3.89,3iae_protein.pt,3iae_pocket.pt,3iae_ligand.pt
3jvs,CC(C)(C)C1C=CC(=CC=1[N+](=O)[O-])C(=O)NNC(=O)NC1=CC=CC2=CC=CC=C21,6.54,3jvs_protein.pt,3jvs_pocket.pt,3jvs_ligand.pt
2ovy,COC1C=C2N=CN=C(C2=CC=1OC)N1CCC(C1)OC1C=NC2C=CC=CC=2N=1,8.4,2ovy_protein.pt,2ovy_pocket.pt,2ovy_ligand.pt
1kv1,CN1N=C(C=C1NC(=O)NC1C=CC(Cl)=CC=1)C(C)(C)C,5.94,1kv1_protein.pt,1kv1_pocket.pt,1kv1_ligand.pt
1eoc,O=[N+]([O-])C1C=C(O)C(O)=CC=1,6.05,1eoc_protein.pt,1eoc_pocket.pt,1eoc_ligand.pt
3gkz,C[NH2+]C(C)CC1C=CC=CC=1,8.0,3gkz_protein.pt,3gkz_pocket.pt,3gkz_ligand.pt
5i9z,COC(C(=O)N1C=C2NN=C(NC(=O)C3C=CC(=CC=3)N3CC[NH+](C)CC3)C2=C1)C1C=CC=CC=1,8.05,5i9z_protein.pt,5i9z_pocket.pt,5i9z_ligand.pt
3qto,C[N+]1C=C(C=CC=1)CNC(=O)C1CCCN1C(=O)C([NH3+])CC1C=CC=CC=1,4.13,3qto_protein.pt,3qto_pocket.pt,3qto_ligand.pt
3bxe,O=C(CO)COP(=O)(=O)=O,5.48,3bxe_protein.pt,3bxe_pocket.pt,3bxe_ligand.pt
2pql,[NH3+]CCC1=CNC2C=CC=CC=21,7.28,2pql_protein.pt,2pql_pocket.pt,2pql_ligand.pt
3bqc,CC1=CC(O)=C2C(=O)C3C(O)=CC(O)=CC=3C(=O)C2=C1,5.73,3bqc_protein.pt,3bqc_pocket.pt,3bqc_ligand.pt
3vjc,C=C(CCC12OC(C(=O)[O-])C(O)(C(=O)[O-])C(O1)(C(=O)[O-])C(OC(=O)C=CC(C)CC(C)CC)C2O)C(OC(C)=O)C(C)CC1C=CC=CC=1,7.72,3vjc_protein.pt,3vjc_pocket.pt,3vjc_ligand.pt
5cbr,[NH3+]C(CC1=CC(C2C=C(O)C=NC=2)=C(Cl)C(Cl)=C1)C(=O)[O-],5.74,5cbr_protein.pt,5cbr_pocket.pt,5cbr_ligand.pt
2bqv,COC(=O)NC(C(=O)N[NH+](CC1C=CC=CC=1)CC(O)(CC1C=CC=CC=1)C(=O)NC1C2=CC=CC=C2CC1O)C(C)C,8.05,2bqv_protein.pt,2bqv_pocket.pt,2bqv_ligand.pt
4msa,O=[N+]([O-])C1C=C2NC=NC2=CC=1,3.3,4msa_protein.pt,4msa_pocket.pt,4msa_ligand.pt
6eif,NS(=O)(=O)C1C=CC(=CC=1)C1C=NC2NC=C(C3C=NC=CC=3)C=2C=1,6.98,6eif_protein.pt,6eif_pocket.pt,6eif_ligand.pt
1hlk,COC1OC(C)CC2OC3C=C(O)C(O)=C(C(=O)[O-])C=3C(=O)C=21,5.0,1hlk_protein.pt,1hlk_pocket.pt,1hlk_ligand.pt
5ewa,CC1(C)SC2CSC(CS)[NH+]2C1C(=O)[O-],4.82,5ewa_protein.pt,5ewa_pocket.pt,5ewa_ligand.pt
1m0b,CC(C)(C)OC(=O)NC(CC[NH2+]C(CC1C=CC=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)NC(CC1C=CC=CC=1)C(N)=O)CC1C=CC=CC=1,8.82,1m0b_protein.pt,1m0b_pocket.pt,1m0b_ligand.pt
1vyg,CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-],8.0,1vyg_protein.pt,1vyg_pocket.pt,1vyg_ligand.pt
2j7e,COC(=O)CC1=CN2C(=N1)C(O)C(O)C(O)C2CO,7.32,2j7e_protein.pt,2j7e_pocket.pt,2j7e_ligand.pt
1oar,O=C1C2=CC(=C(O)C(O)=C2C(=O)C2C=CC=CC=21)S(=O)(=O)[O-],7.4,1oar_protein.pt,1oar_pocket.pt,1oar_ligand.pt
1o35,N=[C+](=N)C1C=C2N=C(NC2=CC=1)C1=CC(F)=CC=C1O,5.0,1o35_protein.pt,1o35_pocket.pt,1o35_ligand.pt
3gcp,C[S](O)C1C=CC(=CC=1)C1=NC(C2C=CN=CC=2)=C(N1)C1C=CC(F)=CC=1,7.82,3gcp_protein.pt,3gcp_pocket.pt,3gcp_ligand.pt
1nf8,C=C(OC1C=CC=C(C(=O)[O-])C1O)C(=O)[O-],7.82,1nf8_protein.pt,1nf8_pocket.pt,1nf8_ligand.pt
5c3p,O=C([O-])CCC(=O)C(=O)[O-],4.46,5c3p_protein.pt,5c3p_pocket.pt,5c3p_ligand.pt
6ce6,O=C([O-])CCC1=NC2=CC3N=C(CCC(=O)[O-])SC=3C=C2S1,5.1,6ce6_protein.pt,6ce6_pocket.pt,6ce6_ligand.pt
2wtv,O=C([O-])C1C=CC(=CC=1)NC1=NC=C2CN=C(C3C=C(Cl)C=CC=3C2=N1)C1C(F)=CC=CC=1F,8.74,2wtv_protein.pt,2wtv_pocket.pt,2wtv_ligand.pt
2aqu,COC(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C[NH+](CC1C=CC(=CC=1)C1=CC=CC=N1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C,9.32,2aqu_protein.pt,2aqu_pocket.pt,2aqu_ligand.pt
5d0c,CCN1C(=O)C2=CC=CC3C(=CC=C1C=32)S(=O)(=O)NCC1CCN(CC1)C(C)=O,5.63,5d0c_protein.pt,5d0c_pocket.pt,5d0c_ligand.pt
5cp5,CCN1C(=O)C2=CC=CC3C(=CC=C1C=32)S(=O)(=O)NC1C=CC(F)=CC=1,5.91,5cp5_protein.pt,5cp5_pocket.pt,5cp5_ligand.pt
4knn,NS(=O)(=O)C1=CC=C(C=C1Cl)C(=O)CSC1N=CC=CN=1,7.78,4knn_protein.pt,4knn_pocket.pt,4knn_ligand.pt
1pzp,N#CC(CNC1C=CC(=CC=1)NC1C=CC=CC=1)C1N=NNN=1,3.31,1pzp_protein.pt,1pzp_pocket.pt,1pzp_ligand.pt
2za5,[NH3+]CC1=CC=C2OCC3(CCN(CC3)C(=O)C3=CC=C(C#CC4C=CC=CC=4)O3)C2=C1,8.43,2za5_protein.pt,2za5_pocket.pt,2za5_ligand.pt
5vr8,O=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OC2OCC(O)C(O)C2O)C(O)C1O,6.87,5vr8_protein.pt,5vr8_pocket.pt,5vr8_ligand.pt
4ozj,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.4,4ozj_protein.pt,4ozj_pocket.pt,4ozj_ligand.pt
4ymq,CC(CCO)N(C)C(=O)CCCN1C2=CC=CC=C2N(CC2C=CC(=CC=2)C(O)(C(F)(F)F)C(F)(F)F)S1(=O)=O,5.8,4ymq_protein.pt,4ymq_pocket.pt,4ymq_ligand.pt
3f18,O=C(CN(CCO)S(=O)(=O)C1C=CC(F)=CC=1)NO,7.4,3f18_protein.pt,3f18_pocket.pt,3f18_ligand.pt
3s73,NS(=O)(=O)C1=NC2=CC=CC=C2S1,8.7,3s73_protein.pt,3s73_pocket.pt,3s73_ligand.pt
4ibd,CC1=CC=C(C=C1C(=O)[O-])N1C(=O)C(O)=C(C(=O)C2C=CC=CC=2)C1C1=CC(Br)=CS1,3.67,4ibd_protein.pt,4ibd_pocket.pt,4ibd_ligand.pt
3t60,O=C1C=CN(C(=O)N1)C1CC(O)C(C[NH2+]C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)O1,6.7,3t60_protein.pt,3t60_pocket.pt,3t60_ligand.pt
2ccc,CC1=CC2=NC3C(=O)NC(=O)NC=3[N+](C)=C2C=C1C,7.76,2ccc_protein.pt,2ccc_pocket.pt,2ccc_ligand.pt
4fsl,COC1C=CC(=CC=1)C1=NSC(C)=C1C(=O)NC(=[NH2+])NCC1=CC(C)=C(NC(C)=O)C(Cl)=C1,7.7,4fsl_protein.pt,4fsl_pocket.pt,4fsl_ligand.pt
4zls,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1=CC=CC(=C1)C1C=C(C=C(C=1)OC)OC)NC(=O)OC(C)(C)C,9.09,4zls_protein.pt,4zls_pocket.pt,4zls_ligand.pt
3n1c,O=P(=O)(=O)OCC1OC(O)(CO)C(O)C1O,5.22,3n1c_protein.pt,3n1c_pocket.pt,3n1c_ligand.pt
3ppm,O=C(CCCCCCC1C=CC=CC=1)C1=NN=C(O1)C1C=CC=CN=1,9.54,3ppm_protein.pt,3ppm_pocket.pt,3ppm_ligand.pt
2e92,O=P(=O)(=O)C(O)(CC1=CN=C2C=CC=CN12)P(=O)(=O)=O,6.89,2e92_protein.pt,2e92_pocket.pt,2e92_ligand.pt
4msn,O=[N+]([O-])C1C=CC=C2C=CC=NC=12,4.03,4msn_protein.pt,4msn_pocket.pt,4msn_ligand.pt
1qin,[NH3+]C(CCC(=O)NC(CSC(=O)N(O)C1C=CC(I)=CC=1)C(=O)NCC(=O)[O-])C(=O)[O-],8.0,1qin_protein.pt,1qin_pocket.pt,1qin_ligand.pt
6gg4,[NH3+]C(CC1C=CC=CC=1)C(=O)[O-],3.69,6gg4_protein.pt,6gg4_pocket.pt,6gg4_ligand.pt
1efy,COC1=CC=CC(=C1)C1=NC2C(=CC=CC=2C(N)=O)N1,8.22,1efy_protein.pt,1efy_pocket.pt,1efy_ligand.pt
5nkc,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)N2CCC(C2)C(=O)[O-])S1,7.72,5nkc_protein.pt,5nkc_pocket.pt,5nkc_ligand.pt
3r1v,CC(C)C1C=CC(=CC=1)N=NC1C=CC(O)=CC=1,6.92,3r1v_protein.pt,3r1v_pocket.pt,3r1v_ligand.pt
5kcb,CCN1C2C=C(N)C=CC=2C2=CC=C(N)C=C2C1C1C=CC=CC=1,6.0,5kcb_protein.pt,5kcb_pocket.pt,5kcb_ligand.pt
3vbd,COC1C=CC2=C(C=1)CC[NH2+]C2C1C=CC(=CC=1)S(N)(=O)=O,8.07,3vbd_protein.pt,3vbd_pocket.pt,3vbd_ligand.pt
4pox,NC(=[NH2+])NC=CCC([NH2+]C(CCC(=O)[O-])C(=O)[O-])C(=O)[O-],5.43,4pox_protein.pt,4pox_pocket.pt,4pox_ligand.pt
1hvh,N#CN=[C+]1N(CC2C=CC(=CC=2)CO)C(CC2C=CC=CC=2)C(O)C(O)C(CC2C=CC=CC=2)N1CC1C=CC(=CC=1)CO,7.96,1hvh_protein.pt,1hvh_pocket.pt,1hvh_ligand.pt
4i7p,BrC1=CN=CN1,3.5,4i7p_protein.pt,4i7p_pocket.pt,4i7p_ligand.pt
3s0e,C=CCC1C=CC(O)=C(C=1)OC,6.55,3s0e_protein.pt,3s0e_pocket.pt,3s0e_ligand.pt
3f6g,CCC(C)C([NH3+])C(=O)[O-],4.72,3f6g_protein.pt,3f6g_pocket.pt,3f6g_ligand.pt
3a6t,N=C1N=C2C(=NC(=O)N2C2CC(O)C(COP(=O)(=O)=O)O2)C(=O)N1,7.28,3a6t_protein.pt,3a6t_pocket.pt,3a6t_ligand.pt
2b4l,C[N+](C)(C)CC(=O)[O-],4.77,2b4l_protein.pt,2b4l_pocket.pt,2b4l_ligand.pt
1d9i,[NH3+]C1CCC(CC1)CNC(=O)C1C=CCN2C(=O)N(CCS(=O)(=O)C3C=CC=CC=3)C(=O)N12,9.11,1d9i_protein.pt,1d9i_pocket.pt,1d9i_ligand.pt
3zm9,CN(C)C1C=CN(CC=1)CC1C=CC(=CC=1)CCCCC1C=CC(=CC=1)CN1C=NC2C(N)=NC=NC=21,7.42,3zm9_protein.pt,3zm9_pocket.pt,3zm9_ligand.pt
3zt2,O=C([O-])C1=C(C=CC2OCOC=21)C=C1C(=O)CC2=CC=CC=C21,2.84,3zt2_protein.pt,3zt2_pocket.pt,3zt2_ligand.pt
5a7b,C#CC1C=C(C#CCOC2C=CC=CC=2)C=C(C[NH+]2CCC(CC2)[NH+](CC)CC)C=1O,3.57,5a7b_protein.pt,5a7b_pocket.pt,5a7b_ligand.pt
1q54,CC(O)(CBr)CCO[P](=O)(=O)OP(=O)(=O)=O,5.85,1q54_protein.pt,1q54_pocket.pt,1q54_ligand.pt
4zme,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,4.3,4zme_protein.pt,4zme_pocket.pt,4zme_ligand.pt
3tkw,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,5.27,3tkw_protein.pt,3tkw_pocket.pt,3tkw_ligand.pt
1zhy,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,6.52,1zhy_protein.pt,1zhy_pocket.pt,1zhy_ligand.pt
3o7u,NP1(=O)C=CNC(=O)N1,7.28,3o7u_protein.pt,3o7u_pocket.pt,3o7u_ligand.pt
1jqy,O=C(NCCC[NH+]1CCOCC1)C1=CC(=CC(=C1)[N+](=O)[O-])OC1OC(CO)C(O)C(O)C1O,4.92,1jqy_protein.pt,1jqy_pocket.pt,1jqy_ligand.pt
3hvi,CCNC1N=CN=C2C=1N=CN2C1OC(C=CCNC(=O)C2C=C(C=C(O)C=2O)C2C=CC(F)=CC=2)C(O)C1O,8.3,3hvi_protein.pt,3hvi_pocket.pt,3hvi_ligand.pt
5eek,CC(C=CC(=O)NO)=CC(C)C(=O)C1C=CC(=CC=1)N(C)C,9.1,5eek_protein.pt,5eek_pocket.pt,5eek_ligand.pt
4lj8,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.82,4lj8_protein.pt,4lj8_pocket.pt,4lj8_ligand.pt
3ta1,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,3.25,3ta1_protein.pt,3ta1_pocket.pt,3ta1_ligand.pt
4yha,CC(=O)NC1SC(=N[N+]=1C)S(N)(=O)=O,6.65,4yha_protein.pt,4yha_pocket.pt,4yha_ligand.pt
4xt2,BrC1=CC=CC(=C1)C1CC(C2C=C(Br)C=CC=2)N2N=NN=C2N1,7.15,4xt2_protein.pt,4xt2_pocket.pt,4xt2_ligand.pt
4ahu,O=C([O-])C1=CNC2=CC=CC=C21,2.27,4ahu_protein.pt,4ahu_pocket.pt,4ahu_ligand.pt
5oei,O=C([O-])CCCC(=O)C(=O)[O-],5.8,5oei_protein.pt,5oei_pocket.pt,5oei_ligand.pt
5llh,NS(=O)(=O)C1C(F)=C(F)C(SC2=NC3=CC=CC=C3S2)=C(F)C=1F,10.17,5llh_protein.pt,5llh_pocket.pt,5llh_ligand.pt
2vba,CC(=O)C1SC(=NC=1C)NC1C=CC=CC=1,4.6,2vba_protein.pt,2vba_pocket.pt,2vba_ligand.pt
2w66,CC(=O)NC1C(O)C[NH2+]C(CO)C(O)C1O,4.05,2w66_protein.pt,2w66_pocket.pt,2w66_ligand.pt
1o3f,N=[C+](=N)C1C=C2C=C(NC2=CC=1)C1=CC=CC(C2C=CC=CC=2)=C1O,7.96,1o3f_protein.pt,1o3f_pocket.pt,1o3f_ligand.pt
4yyt,NS(=O)(=O)C1C=CC(=CC=1)CCO,6.38,4yyt_protein.pt,4yyt_pocket.pt,4yyt_ligand.pt
4fm7,CC(C)OC1C=C(C=CC=1O)C[NH+]1CCC2(CC1C)CN(C)S(=O)(=O)N2C1C=CC=C(F)C=1,7.24,4fm7_protein.pt,4fm7_pocket.pt,4fm7_ligand.pt
2zb1,CC1=NN=C(O1)C1C=CC(C)=C(C=1)C1C=CC(=CC=1)C(=O)NCC1CC1,6.32,2zb1_protein.pt,2zb1_pocket.pt,2zb1_ligand.pt
1o2h,N=[C+](=N)C1C=C2C=C(NC2=CC=1)C1=CC=CC(OC2CCCC2)=C1O,7.17,1o2h_protein.pt,1o2h_pocket.pt,1o2h_ligand.pt
4d4d,OCC1OC(OCC2C[NH2+]CC(O)C2O)C(O)C(O)C1O,5.96,4d4d_protein.pt,4d4d_pocket.pt,4d4d_ligand.pt
2pbw,CC(=CC=CC(C)C(=O)[O-])C1C[NH2+]C(C(=O)[O-])C1CC(=O)[O-],8.25,2pbw_protein.pt,2pbw_pocket.pt,2pbw_ligand.pt
5zaj,COC1=NC=C(C(=N1)OC)C1N=C(C(=O)NC(N)=[NH2+])C(N)=NC=1N1CCCCCC1,7.38,5zaj_protein.pt,5zaj_pocket.pt,5zaj_ligand.pt
1ndy,NC(=O)C1=CN(C=N1)C(CO)CCC1=CC=CC2C=CC=CC=21,6.17,1ndy_protein.pt,1ndy_pocket.pt,1ndy_ligand.pt
3ekr,CC1C=CC=CC=1C1CCCN1C(=O)C1C=CC(O)=CC=1O,7.52,3ekr_protein.pt,3ekr_pocket.pt,3ekr_ligand.pt
1c5s,N=[C+](=N)C1=CC2C=CC=CC=2S1,6.0,1c5s_protein.pt,1c5s_pocket.pt,1c5s_ligand.pt
2uy3,CN1C(=O)C2N=C(Cl)NC=2N(C)C1=O,3.22,2uy3_protein.pt,2uy3_pocket.pt,2uy3_ligand.pt
4rhx,NC1=NC2=C(N=CN2CC[NH+](CC[NH+](CC=O)CCP(=O)(=O)=O)CCP(=O)(=O)=O)C(=O)N1,5.8,4rhx_protein.pt,4rhx_pocket.pt,4rhx_ligand.pt
4kow,COC1(NC(=O)CC2=CC=CS2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CSC21,4.31,4kow_protein.pt,4kow_pocket.pt,4kow_ligand.pt
5c1m,COC12C=CC34CC1(C)C([NH2+]C2C31CC[NH+](C)C4CC2=CC=C(O)C=C21)C1C=CC=CC=1,10.8,5c1m_protein.pt,5c1m_pocket.pt,5c1m_ligand.pt
4qxo,CC1=CC=C2C(=O)C3C=CC=C(CC(=O)[O-])C=3OC2=C1C,5.51,4qxo_protein.pt,4qxo_pocket.pt,4qxo_ligand.pt
5dxt,CC(OC1=CC=C2C(=C1)OCCN1C=C(N=C21)C1=NC=NN1C(C)C)C(N)=O,9.7,5dxt_protein.pt,5dxt_pocket.pt,5dxt_ligand.pt
3uu1,CC1=CC(C)=C(N)C(=C1)C(=O)[O-],5.2,3uu1_protein.pt,3uu1_pocket.pt,3uu1_ligand.pt
4kyk,COC1=CC=C2C(=C1)C(CC(=O)[O-])=C(C)N2C(=O)C1C=CC(Cl)=CC=1,4.74,4kyk_protein.pt,4kyk_pocket.pt,4kyk_ligand.pt
1bwb,O=C(NC1=NC2C=CC=CC=2N1)C1C=C(C=CC=1)CN1C(=O)N(CC2C=CC=C(C=2)C(=O)NC2=NC3C=CC=CC=3N2)C(CC2C=CC=CC=2)C(O)C(O)C1CC1C=CC=CC=1,8.42,1bwb_protein.pt,1bwb_pocket.pt,1bwb_ligand.pt
2wec,COC(=O)C(CC1C=CC=CC=1)O[P](=O)(=O)CNC(=O)C(NC(=O)CC1=CC=CC2C=CC=CC=21)C(C)C,3.96,2wec_protein.pt,2wec_pocket.pt,2wec_ligand.pt
4xu3,NC1N=CN=C2C=1N=CN2COCCNS(=O)(=O)NC(=O)CCCCC1SCC2NC(=O)NC21,9.5,4xu3_protein.pt,4xu3_pocket.pt,4xu3_ligand.pt
3qfz,OCC1[NH2+]CC(O)C(O)C1O,3.24,3qfz_protein.pt,3qfz_pocket.pt,3qfz_ligand.pt
2clh,O=P(=O)(=O)OCCNS(=O)(=O)C1C=CC2C=CC=CC=2C=1,4.06,2clh_protein.pt,2clh_pocket.pt,2clh_ligand.pt
4u73,[NH3+]C(C1C=CC=CC=1)P(=O)(=O)=O,5.18,4u73_protein.pt,4u73_pocket.pt,4u73_ligand.pt
4cjq,CC(C)CC(CNC(=O)CC1=CNC2=CC=CC=C12)CC1C=CC2OCOC=2C=1C(=O)[O-],3.59,4cjq_protein.pt,4cjq_pocket.pt,4cjq_ligand.pt
1o0n,O=C1C=CN(C(=O)N1)C1OC(CO)C(OP(=O)(=O)=O)C1O,4.09,1o0n_protein.pt,1o0n_pocket.pt,1o0n_ligand.pt
4ajl,CCNC(=O)NCCC(=O)NC1C=CC2N=C(C)SC=2C=1,3.8,4ajl_protein.pt,4ajl_pocket.pt,4ajl_ligand.pt
5km9,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,4.25,5km9_protein.pt,5km9_pocket.pt,5km9_ligand.pt
1nc1,CSCC1OC(C(O)C1O)N1C=CC2C(N)=NC=NC=21,6.12,1nc1_protein.pt,1nc1_pocket.pt,1nc1_ligand.pt
6guc,COC1C=CC2NC(=O)C(=CC3=CNC=N3)C=2C=1,7.6,6guc_protein.pt,6guc_pocket.pt,6guc_ligand.pt
1hii,CC(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C[NH+](CC1CCCCC1)NC(=O)C(NC(C)=O)C(C)C)C(C)C,7.28,1hii_protein.pt,1hii_pocket.pt,1hii_ligand.pt
5ut6,N#CC1C=CC(=CC=1)NC1=NC(N)=CC(=N1)N1C=CC(CO)=N1,4.24,5ut6_protein.pt,5ut6_pocket.pt,5ut6_ligand.pt
3hkt,NS(=O)(=O)C1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,5.39,3hkt_protein.pt,3hkt_pocket.pt,3hkt_ligand.pt
2jh6,CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)CCC2=CC=C(Cl)S2)C1=O,7.77,2jh6_protein.pt,2jh6_pocket.pt,2jh6_ligand.pt
4b2i,C1=CC=C2NN=CC2=C1,3.0,4b2i_protein.pt,4b2i_pocket.pt,4b2i_ligand.pt
4cfl,O=C1C=C(OC2C1=CC=CC=2C1C=CC=CC=1)N1CC[NH2+]CC1,5.88,4cfl_protein.pt,4cfl_pocket.pt,4cfl_ligand.pt
3lgs,NC1=NC=NC2=C1N=CN2C1OCC(O)C1O,4.61,3lgs_protein.pt,3lgs_pocket.pt,3lgs_ligand.pt
4xtz,NC1=NC=NC2=C1N=CN2C1OC(COS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)C(O)C1F,9.82,4xtz_protein.pt,4xtz_pocket.pt,4xtz_ligand.pt
1mrn,CC1=CN(C(=O)NC1=O)C1CC(O)C(CO[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2O)N2C=NC3C2=NC=NC=3N)O1,4.52,1mrn_protein.pt,1mrn_pocket.pt,1mrn_ligand.pt
6gwr,CC(C)C1=CC=C(C=C1C#CC1=CN=C2C=NC=CN12)C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C[NH+]1CC[NH+](C)CC1,8.1,6gwr_protein.pt,6gwr_pocket.pt,6gwr_ligand.pt
3u81,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,4.44,3u81_protein.pt,3u81_pocket.pt,3u81_ligand.pt
3nu9,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,9.05,3nu9_protein.pt,3nu9_pocket.pt,3nu9_ligand.pt
3wmc,CC1=NN=C(C[NH2+]CC[NH+]2C(O)C3=CC=CC4C3=C(C=CC=4N(C)C)C2O)S1,6.51,3wmc_protein.pt,3wmc_pocket.pt,3wmc_ligand.pt
5oq8,C[NH+]1CCN(CC1)C1C=C(C(=O)NC2C=NC=CC=2)C(=CC=1)OCC1C=CC=CC=1,5.85,5oq8_protein.pt,5oq8_pocket.pt,5oq8_ligand.pt
2y5g,C[N+](C)(C)CCCN1C(=O)C2C(C1=O)C(C1=NC=C(O1)C1=CC=C(Cl)S1)[NH+]1CCCC21,6.84,2y5g_protein.pt,2y5g_pocket.pt,2y5g_ligand.pt
5f2p,CN(C)C1N=CC2C(=O)N(C)C=CC=2N=1,4.43,5f2p_protein.pt,5f2p_pocket.pt,5f2p_ligand.pt
2wk6,O=C1N=CC(I)C(=O)N1,3.32,2wk6_protein.pt,2wk6_pocket.pt,2wk6_ligand.pt
6hpw,CC1=CC=C(C=C1I)C(=O)NC1C=CC2N=C(C[NH+]3CCCCC3)NC=2C=1,6.09,6hpw_protein.pt,6hpw_pocket.pt,6hpw_ligand.pt
4cg8,CN(C1C=CC(Cl)=CC=1)C1C=CN(C=C1)CC1C=CC(=CC=1)CCCCC1C=CC(=CC=1)CN1C=CC(C=C1)=[N+](C)C,6.96,4cg8_protein.pt,4cg8_pocket.pt,4cg8_ligand.pt
1hdq,O=C(NO)NC(CC1C=CC=CC=1)C(=O)[O-],5.82,1hdq_protein.pt,1hdq_pocket.pt,1hdq_ligand.pt
1o5r,NC(=O)C1=CN(C=N1)C(CO)CCN1C=CC2C=CC(=CC=21)NC(=O)NCC1C=CC=CC=1,8.12,1o5r_protein.pt,1o5r_pocket.pt,1o5r_ligand.pt
2aoe,CCCCC(NC(=O)C(C)NC(=O)C(CCC(=O)[O-])NC(=O)C(CC1C=CC=CC=1)[NH2+]CC(CC(C)C)NC(=O)C(NC(=O)C([NH3+])CCCNC(N)=[NH2+])C(C)C)C(N)=O,7.62,2aoe_protein.pt,2aoe_pocket.pt,2aoe_ligand.pt
1e3v,CC(CCC(=O)[O-])C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,4.34,1e3v_protein.pt,1e3v_pocket.pt,1e3v_ligand.pt
6g9i,C[NH+](C)CCCN1C2C=CC=CC=2CCC2C=CC(Cl)=CC=21,3.93,6g9i_protein.pt,6g9i_pocket.pt,6g9i_ligand.pt
2avm,CCCCC(C[NH2+]C(CCCC)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=[NH2+])C(N)=O)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)CC,5.7,2avm_protein.pt,2avm_pocket.pt,2avm_ligand.pt
5ivv,CN1C=C(NC2=CN=CC=C2C(=O)[O-])C2C=CC=NC=21,6.35,5ivv_protein.pt,5ivv_pocket.pt,5ivv_ligand.pt
2p3b,CC(NC(=O)OCC1C=CC=CC=1)C(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)C(C)NC(=O)OCC1C=CC=CC=1)C(C)C)C(C)C,8.48,2p3b_protein.pt,2p3b_pocket.pt,2p3b_ligand.pt
5boj,CC1C=CC(C)=C(C=1)OCCCC(C)(C)C(=O)[O-],7.0,5boj_protein.pt,5boj_pocket.pt,5boj_ligand.pt
3k97,CC1=CC=CC=C1C1CCCN1C(=O)C1=CC(Cl)=C(O)C=C1O,8.0,3k97_protein.pt,3k97_pocket.pt,3k97_ligand.pt
3zsy,C[NH+](CC1=CC=CC=C1C(=O)NCC1CCCCC1)CC1C=CC2OCOC=2C=1C(=O)[O-],3.23,3zsy_protein.pt,3zsy_pocket.pt,3zsy_ligand.pt
2cht,O=C([O-])C1CC2(C=CC(O)C(C2)O1)C(=O)[O-],5.52,2cht_protein.pt,2cht_pocket.pt,2cht_ligand.pt
3ozr,O=C(NCC=CC1OCC(O)C1O)C1C=C(C=C(O)C=1O)[N+](=O)[O-],5.15,3ozr_protein.pt,3ozr_pocket.pt,3ozr_ligand.pt
3vje,C=C(CCC12OC(C(=O)[O-])C(O)(C(=O)[O-])C(O1)(C(=O)[O-])C(OC(=O)C=CC(C)CC(C)CC)C2O)C(OC(C)=O)C(C)CC1C=CC=CC=1,8.01,3vje_protein.pt,3vje_pocket.pt,3vje_ligand.pt
3i5z,CC1=CN=C(N=C1C1=CNC(=C1)C(=O)NC(CO)C1C=CC=CC=1)NC1C=CC=CC=1,8.7,3i5z_protein.pt,3i5z_pocket.pt,3i5z_ligand.pt
1t31,CN(C(=O)C1=CC2C=CC=CC=2C=C1C(=O)C(C1=CC=CC2C=CC=CC=21)P(=O)(=O)=O)C1CCN(CC1)C(=O)C1C=CC2C=CC=CC=2C=1,8.64,1t31_protein.pt,1t31_pocket.pt,1t31_ligand.pt
2h4g,O=C([O-])COC1C(Br)=C(SC=1C(=O)[O-])C1C=CC(O)=CC=1,6.52,2h4g_protein.pt,2h4g_pocket.pt,2h4g_ligand.pt
3be9,O=C1CCCCC2C=NN3C(=NC(=NC=23)NC2C=CC=C(C=2)N1)NC1CC1,7.62,3be9_protein.pt,3be9_pocket.pt,3be9_ligand.pt
3pb7,COC1C=CC(=CC=1OC)NC(=S)NCCCN1C=CN=C1,5.74,3pb7_protein.pt,3pb7_pocket.pt,3pb7_ligand.pt
2b7d,NC(=[NH2+])C1=CC=C2N=C(NC2=C1)C1=CC(=CC(=C1O)C1C=C(C=CC=1O)CNC(N)=O)C(CC(=O)[O-])C(=O)[O-],8.7,2b7d_protein.pt,2b7d_pocket.pt,2b7d_ligand.pt
4rfc,CC(C)(C)OC(=O)NCCCCOC1C=CC(=CC=1)S(N)(=O)=O,8.24,4rfc_protein.pt,4rfc_pocket.pt,4rfc_ligand.pt
5e13,N=C1C=CN(CC2=CN(N=N2)C2C(CO)OC(C2O)N2C=NC3C2=NC=NC=3N)C(=O)N1,4.24,5e13_protein.pt,5e13_pocket.pt,5e13_ligand.pt
2y5h,C[N+](C)(C)CCCN1C(=O)C2C(C1=O)C(C1=COC(=N1)C1=CC=C(Cl)S1)[NH+]1CCCC21,5.79,2y5h_protein.pt,2y5h_pocket.pt,2y5h_ligand.pt
3kdm,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,7.0,3kdm_protein.pt,3kdm_pocket.pt,3kdm_ligand.pt
6csr,O=C(NO)C1C=CC=CC=1,6.84,6csr_protein.pt,6csr_pocket.pt,6csr_ligand.pt
1eld,CC(NC(=O)C(CC1C=CC=CC=1)NC(=O)C(F)(F)F)C(=O)NC1C=CC(=CC=1)C(F)(F)F,6.7,1eld_protein.pt,1eld_pocket.pt,1eld_ligand.pt
3ucj,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,6.0,3ucj_protein.pt,3ucj_pocket.pt,3ucj_ligand.pt
5dh4,CC1=NC(C)=C(CNC2=CC(Cl)=NC3=CC=NN32)S1,7.24,5dh4_protein.pt,5dh4_pocket.pt,5dh4_ligand.pt
2f1g,COC1C=CC(=CC=1)NCCNC(=O)C(CC1CCCCC1)NC1=NC2=CC=CC=C2O1,7.54,2f1g_protein.pt,2f1g_pocket.pt,2f1g_ligand.pt
4lps,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.74,4lps_protein.pt,4lps_pocket.pt,4lps_ligand.pt
2ojg,CN(C)C(=O)C1=CC(=CN1)C1NN=CC=1C1C=CC=CC=1,5.64,2ojg_protein.pt,2ojg_pocket.pt,2ojg_ligand.pt
1k1m,CC(=O)N1CCN(CC1)C(=O)C(CC1C=CC=C(C=1)[C+](=N)=N)NS(=O)(=O)C1C=C2C=CC=CC2=CC=1,7.4,1k1m_protein.pt,1k1m_pocket.pt,1k1m_ligand.pt
5f74,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,5.12,5f74_protein.pt,5f74_pocket.pt,5f74_ligand.pt
1zog,CSC1=NC2=C(Br)C(Br)=C(Br)C(Br)=C2N1,7.15,1zog_protein.pt,1zog_pocket.pt,1zog_ligand.pt
5aan,O=C(C[NH+]1CCCCC1)NN1C2=CC=CC=C2SC2C=CC=CC=21,4.15,5aan_protein.pt,5aan_pocket.pt,5aan_ligand.pt
4ibb,CC1=CC(C)=C(C)C=C1C1C(C(=O)C2=CC=CS2)=C(O)C(=O)N1C1C=CC(=CC=1)CC(=O)[O-],3.57,4ibb_protein.pt,4ibb_pocket.pt,4ibb_ligand.pt
3sxf,CCOC1C=CC2=CC(=CC=C2C=1)C1=NN(C2=NC=NC(N)=C12)C(C)C,8.6,3sxf_protein.pt,3sxf_pocket.pt,3sxf_ligand.pt
3fcq,CC(=O)OC1C(=CC=CC=1C)C(=O)[O-],2.77,3fcq_protein.pt,3fcq_pocket.pt,3fcq_ligand.pt
2vwm,O=C(C[N+]1=CC(CC1C(=O)NCC1CC1)NC(=O)C1=CC=C(Cl)S1)NC1C=CC(=CC=1F)N1C=CC=CC1=O,7.03,2vwm_protein.pt,2vwm_pocket.pt,2vwm_ligand.pt
4g95,NC1=NC(N)=C2C=C(C=NC2=N1)CNC1C=C(Cl)C=CC=1Cl,7.61,4g95_protein.pt,4g95_pocket.pt,4g95_ligand.pt
3mhw,NC1=NC2C=CC=CC=2S1,2.3,3mhw_protein.pt,3mhw_pocket.pt,3mhw_ligand.pt
2jfz,CC(C)CN1C(=O)N(C)C(=O)C2C1=NN(CC1=CC=CC3=CC=CC=C31)C=2C1C=CN=CC=1,5.24,2jfz_protein.pt,2jfz_pocket.pt,2jfz_ligand.pt
4qf9,[NH3+]C(CCC1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-],4.43,4qf9_protein.pt,4qf9_pocket.pt,4qf9_ligand.pt
1ui0,O=C1C=CNC(=O)N1,7.06,1ui0_protein.pt,1ui0_pocket.pt,1ui0_ligand.pt
3v2q,CCCCCCCCCCCCCCCC(=O)[O-],6.29,3v2q_protein.pt,3v2q_pocket.pt,3v2q_ligand.pt
2baj,CC(C)(C)C1C=C(NC(=O)NC2C=CC=C(Cl)C=2Cl)N(N=1)C1C=CC=CC=1,8.4,2baj_protein.pt,2baj_pocket.pt,2baj_ligand.pt
5hrv,CCC1NN=C2OC(=O)C3=CC=CC=C3C=12,5.29,5hrv_protein.pt,5hrv_pocket.pt,5hrv_ligand.pt
4aci,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-],2.22,4aci_protein.pt,4aci_pocket.pt,4aci_ligand.pt
4wop,N=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.76,4wop_protein.pt,4wop_pocket.pt,4wop_ligand.pt
5j3l,O=S(=O)(CCC1CCCC1)N1CCCC1,4.8,5j3l_protein.pt,5j3l_pocket.pt,5j3l_ligand.pt
3e93,CC1=CC=C(C=C1C1=CC=C2C(=C1)ON=C2C1CC[NH2+]CC1)C(=O)NC1C=CC=C(C=1)N1CCOCC1,8.85,3e93_protein.pt,3e93_pocket.pt,3e93_ligand.pt
3ddg,CN1C(=O)C(O)C(O)C1C[NH2+]C(CO)C1C=CC=CC=1,6.0,3ddg_protein.pt,3ddg_pocket.pt,3ddg_ligand.pt
2qnn,NC(=O)C1C=CC(=CC=1)S(=O)(=O)N(CC1C=CC(=CC=1)C(F)(F)F)C1C[NH2+]CC1N(CC1C=CC(=CC=1)C(F)(F)F)S(=O)(=O)C1C=CC(=CC=1)C(N)=O,7.15,2qnn_protein.pt,2qnn_pocket.pt,2qnn_ligand.pt
1ft7,CC(C)CC([NH3+])P(=O)(=O)=O,5.18,1ft7_protein.pt,1ft7_pocket.pt,1ft7_ligand.pt
3fzy,O=P(=O)(=O)OC1C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1OP(=O)(=O)=O,6.74,3fzy_protein.pt,3fzy_pocket.pt,3fzy_ligand.pt
4k7i,OC1C=CC=CC=1O,2.82,4k7i_protein.pt,4k7i_pocket.pt,4k7i_ligand.pt
3w9k,CCCCCCCCCCCCCC(=O)[O-],6.32,3w9k_protein.pt,3w9k_pocket.pt,3w9k_ligand.pt
5cst,N=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.96,5cst_protein.pt,5cst_pocket.pt,5cst_ligand.pt
3b68,CC(=O)NC1C=CC(=CC=1)OCC(C)(O)C(=O)NC1C=CC(=C(C=1)C(F)(F)F)[N+](=O)[O-],8.4,3b68_protein.pt,3b68_pocket.pt,3b68_ligand.pt
4jyc,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.7,4jyc_protein.pt,4jyc_pocket.pt,4jyc_ligand.pt
1tnh,[NH3+]CC1C=CC(F)=CC=1,3.37,1tnh_protein.pt,1tnh_pocket.pt,1tnh_ligand.pt
3w5n,CC1OC(O)C(O)C(O)C1O,3.87,3w5n_protein.pt,3w5n_pocket.pt,3w5n_ligand.pt
2yxj,C[NH+](C)CCC(CSC1C=CC=CC=1)NC1C=CC(=CC=1[N+](=O)[O-])S(=O)(=O)NC(=O)C1C=CC(=CC=1)N1CC[NH+](CC1)CC1=CC=CC=C1C1C=CC(Cl)=CC=1,9.3,2yxj_protein.pt,2yxj_pocket.pt,2yxj_ligand.pt
1e1x,NC1=NC(OCC2CCCCC2)=C(N=O)C(N)=N1,5.89,1e1x_protein.pt,1e1x_pocket.pt,1e1x_ligand.pt
6fv4,CC(=O)NC1C(O)OC(COP(=O)(=O)=O)C(O)C1O,2.92,6fv4_protein.pt,6fv4_pocket.pt,6fv4_ligand.pt
5vij,[NH3+]C(CC1CC(N=[N+]1C1C=CC(Br)=CC=1)C(=O)[O-])C(=O)[O-],7.61,5vij_protein.pt,5vij_pocket.pt,5vij_ligand.pt
5vd3,C[NH+]1CC[NH+](CCOC2=CC(OC3CCOCC3)=C3C(=C2)N=CN=C3NC2C(Cl)=CC=C3OCOC=23)CC1,5.55,5vd3_protein.pt,5vd3_pocket.pt,5vd3_ligand.pt
3qgy,CNC1N=CC=C(N=1)C1C=NC(=O)C(C=1)NC(=O)C1C=CC(=CC=1)N1CCCCC1,7.8,3qgy_protein.pt,3qgy_pocket.pt,3qgy_ligand.pt
5j1x,CC(C)(C)OC(=O)NC(CCCNC(N)=[NH2+])C(=O)[O-],5.52,5j1x_protein.pt,5j1x_pocket.pt,5j1x_ligand.pt
5hwv,CC1C=CC=CC=1,5.07,5hwv_protein.pt,5hwv_pocket.pt,5hwv_ligand.pt
1i7z,COC(=O)C1C(CC2CCC1[NH+]2C)OC(=O)C1C=CC=CC=1,6.4,1i7z_protein.pt,1i7z_pocket.pt,1i7z_ligand.pt
4e1k,COC1=CC2C(=NC=NC=2C=C1O)NC1C=CC(=CC=1)NC(=O)C1C=CC=CC=1,6.3,4e1k_protein.pt,4e1k_pocket.pt,4e1k_ligand.pt
5fsy,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(O)C(O)C2O)C(O)C1O,5.89,5fsy_protein.pt,5fsy_pocket.pt,5fsy_ligand.pt
5j6l,CCCCN(C)C(=O)C1=CC(C2=NNC(=O)N2C2=CC=CC=C2F)=C(O)C=C1O,7.89,5j6l_protein.pt,5j6l_pocket.pt,5j6l_ligand.pt
1f57,[NH3+]C(CS)C(=O)[O-],5.64,1f57_protein.pt,1f57_pocket.pt,1f57_ligand.pt
2mas,NC1C=CC(=CC=1)C1[NH2+]C(CO)C(O)C1O,7.52,2mas_protein.pt,2mas_pocket.pt,2mas_ligand.pt
4q9o,CC1ON=C(C2C=CC=CC=2Cl)C=1C(=O)NC1C=CC(=CC=1)C(C)C,5.77,4q9o_protein.pt,4q9o_pocket.pt,4q9o_ligand.pt
5cs6,CCCOC1=CC=C(C=C1Cl)C[NH3+],3.2,5cs6_protein.pt,5cs6_pocket.pt,5cs6_ligand.pt
2wed,COC(=O)C(CC1C=CC=CC=1)O[P](=O)(=O)C1CC2C=CC3C=CC=C(CC(=O)NC(C(=O)N1)C(C)C)C=3C=2,6.1,2wed_protein.pt,2wed_pocket.pt,2wed_ligand.pt
3f48,CC([NH3+])C(=O)[O-],6.29,3f48_protein.pt,3f48_pocket.pt,3f48_ligand.pt
1hee,O=C(NO)NC(CC1C=CC=CC=1)C(=O)[O-],5.34,1hee_protein.pt,1hee_pocket.pt,1hee_ligand.pt
6g0z,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.32,6g0z_protein.pt,6g0z_pocket.pt,6g0z_ligand.pt
1w13,CC(NC(=O)C(CO)NS(=O)(=O)CC1C=CC=CC=1)C(=O)NCC1C=CC(=CC=1)NC(N)=[NH2+],8.7,1w13_protein.pt,1w13_pocket.pt,1w13_ligand.pt
4u54,C[NH2+]CC1C=CC=C(C=1)C1C=CC=NC=1,2.06,4u54_protein.pt,4u54_pocket.pt,4u54_ligand.pt
5elw,O=P(=O)(=O)CC(O)CN1C=NC=N1,7.85,5elw_protein.pt,5elw_pocket.pt,5elw_ligand.pt
1mmq,CC(C)CC(CC(=O)NO)C(=O)NC1CC2=CN(CCCCCCNC1=O)C1=CC=CC=C21,7.52,1mmq_protein.pt,1mmq_pocket.pt,1mmq_ligand.pt
4efk,CN(C)S(=O)(=O)C1C=CSC=1,2.49,4efk_protein.pt,4efk_pocket.pt,4efk_ligand.pt
5v82,CC1=CN=CC(=N1)C1C=C2C(C=NN2C2=CC=CC(=N2)C2C[NH2+]CCC2(F)F)=CN=1,10.15,5v82_protein.pt,5v82_pocket.pt,5v82_ligand.pt
5xvg,CC1CN(CC[NH2+]1)C(=O)C1N=C2C=CC(Cl)=CC2=C(N=1)NC1=CC(=NN1)C(C)C,8.05,5xvg_protein.pt,5xvg_pocket.pt,5xvg_ligand.pt
3cyz,CC(=O)CCCCCC=CC(=O)[O-],7.22,3cyz_protein.pt,3cyz_pocket.pt,3cyz_ligand.pt
5ipc,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CS[P](=O)(=O)NCCC2=CNC3C=CC=CC=32)C(O)C1O,4.89,5ipc_protein.pt,5ipc_pocket.pt,5ipc_ligand.pt
3f8f,COC1=CC=CC2C(=O)C3=C(O)C4CC(O)(CC(OC5CC([NH3+])C(O)C(C)O5)C=4C(O)=C3C(=O)C=21)C(C)=O,6.63,3f8f_protein.pt,3f8f_pocket.pt,3f8f_ligand.pt
1kav,O=P(=O)(=O)C(F)(F)C1C=CC(C=CC=CC2C=CC(=CC=2)C(F)(F)P(=O)(=O)=O)=CC=1,5.82,1kav_protein.pt,1kav_pocket.pt,1kav_ligand.pt
3mv0,O=C1OC(CO)C(O)C(O)C1O,3.85,3mv0_protein.pt,3mv0_pocket.pt,3mv0_ligand.pt
1d4p,N=[C+](=N)C1C=C2C=C(NC2=CC=1)C(=O)N1CCC(CC1)CC1C=CC=CC=1,6.3,1d4p_protein.pt,1d4p_pocket.pt,1d4p_ligand.pt
5fnu,COC1=CC(=CC2N=NN(C)C=21)C(CC(=O)[O-])C1C=C(CN2CC(C)OC3C=CC=CC=3S2(=O)=O)C(C)=CC=1,8.89,5fnu_protein.pt,5fnu_pocket.pt,5fnu_ligand.pt
4pf5,OCC1=CN(N=N1)C1OC(CO)C(O)C(O)C1O,5.48,4pf5_protein.pt,4pf5_pocket.pt,4pf5_ligand.pt
5sz2,NS(=O)(=O)C1C=CC(=CC=1)C1C=C(C=O)C=CC=1,8.7,5sz2_protein.pt,5sz2_pocket.pt,5sz2_ligand.pt
5d3h,CCC1=C(NC(C)=C1C(=O)CO)C(=O)NC1=CC(=CC=C1O)S(=O)(=O)N(CC)CC,5.1,5d3h_protein.pt,5d3h_pocket.pt,5d3h_ligand.pt
3k4q,O=S(=O)([O-])OC1C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C1OS(=O)(=O)[O-],5.34,3k4q_protein.pt,3k4q_pocket.pt,3k4q_ligand.pt
1sb1,NC1=NC2CCC(CC=2S1)NC(=O)C1CCCN1C(=O)C(CC1CCCCC1)NS(=O)(=O)CC1C=CC=CC=1,6.89,1sb1_protein.pt,1sb1_pocket.pt,1sb1_ligand.pt
4daf,CC(C(=O)[O-])C1N=NC2N=C(N)NC(=O)C=2C=1O,7.12,4daf_protein.pt,4daf_pocket.pt,4daf_ligand.pt
4del,O=C(COP(=O)(=O)=O)NO,7.68,4del_protein.pt,4del_pocket.pt,4del_ligand.pt
4lxd,O=C(NS(=O)(=O)C1C=CC(NC2CCOCC2)=C(C=1)[N+](=O)[O-])C1C=CC(=CC=1)N1CC[NH+](CC1)CC1COCCC=1C1C=CC(Cl)=CC=1,7.23,4lxd_protein.pt,4lxd_pocket.pt,4lxd_ligand.pt
5umy,COC1=CC=C2C(=O)C3=C(O)C=C4C(NC5C=CC=CC=CC(O)C46OC56C(C)O)=C3C(=O)C2=C1O,6.97,5umy_protein.pt,5umy_pocket.pt,5umy_ligand.pt
3lxe,CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1,6.6,3lxe_protein.pt,3lxe_pocket.pt,3lxe_ligand.pt
6fhq,[NH3+]CC(=O)NC1=NC=CS1,2.47,6fhq_protein.pt,6fhq_pocket.pt,6fhq_ligand.pt
1ro6,COC1C=CC(=CC=1OC1CCCC1)C1CNC(=O)C1,6.46,1ro6_protein.pt,1ro6_pocket.pt,1ro6_ligand.pt
1j16,N=[C+](=N)C1C=CC=CC=1,3.84,1j16_protein.pt,1j16_pocket.pt,1j16_ligand.pt
5f25,CC1=CC(=CN(C)C1=O)C1C=CC(=CC=1)C(N)=O,5.04,5f25_protein.pt,5f25_pocket.pt,5f25_ligand.pt
4q8x,O=[N+]1C=C(C=CC1=S)C(F)(F)F,3.57,4q8x_protein.pt,4q8x_pocket.pt,4q8x_ligand.pt
3p4v,COC(=O)C=CC(=O)NC(CC1C=CC(O)=C(Cl)C=1)C(=O)[O-],5.1,3p4v_protein.pt,3p4v_pocket.pt,3p4v_ligand.pt
3rz1,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,8.74,3rz1_protein.pt,3rz1_pocket.pt,3rz1_ligand.pt
4oc3,O=C(NC(CCCCNC(=O)C1C=CC(I)=CC=1)C(=O)[O-])NC(CC1=CC=CO1)C(=O)[O-],8.28,4oc3_protein.pt,4oc3_pocket.pt,4oc3_ligand.pt
1s5z,NC1N=CN=C2C=1N=CN2C1OC(COC(=O)CP(=O)(=O)=O)C(O)C1O,3.21,1s5z_protein.pt,1s5z_pocket.pt,1s5z_ligand.pt
4qf8,[NH3+]CCCC[NH2+]CCC[NH3+],7.51,4qf8_protein.pt,4qf8_pocket.pt,4qf8_ligand.pt
1h4w,N=[C+](=N)C1C=CC=CC=1,4.66,1h4w_protein.pt,1h4w_pocket.pt,1h4w_ligand.pt
3aid,CC(C)(C)OC(=O)NC(CC1C=CC=CC=1)C(O)C[N+](C)(CC1C=CC=CC=1)NC(=O)C1C=CC=CC=1,6.86,3aid_protein.pt,3aid_pocket.pt,3aid_ligand.pt
5u0w,CN1C=NC2C(=O)N[C+](=N)NC=21,4.24,5u0w_protein.pt,5u0w_pocket.pt,5u0w_ligand.pt
3t85,CC(=O)OC1C(COS(N)(=O)=O)OC(O)C(O)C1OC(C)=O,7.95,3t85_protein.pt,3t85_pocket.pt,3t85_ligand.pt
3f34,CCC1=CC=CC(CC)=C1O,3.16,3f34_protein.pt,3f34_pocket.pt,3f34_ligand.pt
1qaw,[NH3+]C(CC1=CNC2=CC=CC=C12)C(=O)[O-],5.12,1qaw_protein.pt,1qaw_pocket.pt,1qaw_ligand.pt
2qw1,COC1C(O)C(O)OC(CO)C1O,3.9,2qw1_protein.pt,2qw1_pocket.pt,2qw1_ligand.pt
4nbl,OC1=CC(F)=CC=C1CNC1N=CC=CC=1C1N=CC=CN=1,6.33,4nbl_protein.pt,4nbl_pocket.pt,4nbl_ligand.pt
6h33,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CCC(O)(CC1)C1C=CC=CC=1,9.22,6h33_protein.pt,6h33_pocket.pt,6h33_ligand.pt
1dgm,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,5.05,1dgm_protein.pt,1dgm_pocket.pt,1dgm_ligand.pt
2psv,CNC(=O)CCC(=O)NC(CC1C=CC=CC=1)C(O)CN(CC1CC1)S(=O)(=O)C1=CC=CO1,7.24,2psv_protein.pt,2psv_pocket.pt,2psv_ligand.pt
1nja,NC1C=CN(C(=O)N=1)C1CC(O)C(COP(=O)(=O)=O)O1,6.31,1nja_protein.pt,1nja_pocket.pt,1nja_ligand.pt
2o4j,C=C1C(O)CC(=CC=C2CCCC3(C)C(CCC23)=C(C)CCCC(C)(C)O)CC1O,10.1,2o4j_protein.pt,2o4j_pocket.pt,2o4j_ligand.pt
4g8v,O=C1NC(O)=CCN1CC1=CN(N=N1)C1OC(CO)C(O)C1O,5.8,4g8v_protein.pt,4g8v_pocket.pt,4g8v_ligand.pt
3ebl,C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)[O-],6.3,3ebl_protein.pt,3ebl_pocket.pt,3ebl_ligand.pt
3myg,CC[NH+](CC1C=C(NC2=NC(C)=CN3C(=CN=C23)C2C=NNC=2)SN=1)C(C)(C)CO,10.7,3myg_protein.pt,3myg_pocket.pt,3myg_ligand.pt
3dnd,NC1=NC=C(CC2C=CC=CC=2)S1,4.8,3dnd_protein.pt,3dnd_pocket.pt,3dnd_ligand.pt
4ara,CC[NH+]1CCCC1CNC(=O)C1C=C(C(=CC=1OC)N(C)C)[N+](=O)[O-],6.05,4ara_protein.pt,4ara_pocket.pt,4ara_ligand.pt
2vvn,CCNC1=NC2C(OC(CO)C(O)C2O)S1,7.3,2vvn_protein.pt,2vvn_pocket.pt,2vvn_ligand.pt
5lvd,NC(=O)C(CO)N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1,2.62,5lvd_protein.pt,5lvd_pocket.pt,5lvd_ligand.pt
4efs,NC(=O)C(CCC(=O)[O-])NC(=O)C1C=CC(=CC=1)C1=CC(=CS1)C1C=CC=CC=1,8.6,4efs_protein.pt,4efs_pocket.pt,4efs_ligand.pt
3gcs,CNC(=O)C1C=C(C=CN=1)OC1C=CC(=CC=1)NC(=O)NC1C=CC(Cl)=C(C=1)C(F)(F)F,7.25,3gcs_protein.pt,3gcs_pocket.pt,3gcs_ligand.pt
3hll,CNC(=O)C1=CC=C(C)C(=C1)N1C(=O)C(Br)=C(C=C1C)OCC1C=CC(F)=CC=1F,8.24,3hll_protein.pt,3hll_pocket.pt,3hll_ligand.pt
5mpz,COC(=O)C1C=CC2NC(=O)OC=2C=1,4.07,5mpz_protein.pt,5mpz_pocket.pt,5mpz_ligand.pt
3nsn,CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4[N+](C)(C)C)C(O)C3NC(C)=O)C(O)C2NC(C)=O)C1O,7.19,3nsn_protein.pt,3nsn_pocket.pt,3nsn_ligand.pt
6fe1,NS(=O)(=O)C1C(F)=C(F)C(=C(NC2CCCCCCC2)C=1F)S(=O)(=O)CCO,8.48,6fe1_protein.pt,6fe1_pocket.pt,6fe1_ligand.pt
3ppp,C[N+](C)(C)CC(=O)[O-],5.22,3ppp_protein.pt,3ppp_pocket.pt,3ppp_ligand.pt
1ex8,NC1=NC2N=CC(CO[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)OCC3OC(C(O)C3O)N3C=NC4C(N)=NC=NC=43)=NC=2C(=O)N1,6.33,1ex8_protein.pt,1ex8_pocket.pt,1ex8_ligand.pt
1lpk,N=[C+](=N)C1C=CC=C(C=1)COC(=O)C1=CC2C=CC=CC=2N1CC1=CC=CC(=C1)[C+](=N)=N,7.55,1lpk_protein.pt,1lpk_pocket.pt,1lpk_ligand.pt
3lmk,[NH3+]C(CCC(=O)[O-])C(=O)[O-],5.94,3lmk_protein.pt,3lmk_pocket.pt,3lmk_ligand.pt
3m96,NS(=O)(=O)C1C=C(C=CC=1Cl)C(=O)CSC1=NC2C=C(Br)C=CC=2N1,7.22,3m96_protein.pt,3m96_pocket.pt,3m96_ligand.pt
4eo6,CC1CCC(CC1)C(=O)N(C1C=C(C#CC(C)(C)C)SC=1C(=O)[O-])C(C)C,8.7,4eo6_protein.pt,4eo6_pocket.pt,4eo6_ligand.pt
1sqt,COC1C=CC2C=CC(=CC=2C=1C1C[NH2+]N(C1)S(C)(=O)=O)[C+](=N)=N,6.2,1sqt_protein.pt,1sqt_pocket.pt,1sqt_ligand.pt
3ivc,COC1=CC=C2C(=C1)C=C(C(=O)OCC1=CC3=CC=CC=C3O1)N2CC(=O)[O-],4.12,3ivc_protein.pt,3ivc_pocket.pt,3ivc_ligand.pt
4e7r,N=[C+](=N)C1C=CC=C(C=1)CC(NS(=O)(=O)C1C=C(C=CC=1)C1C=CC(Cl)=CC=1Cl)C(=O)N1CCC(CC[NH3+])CC1,7.7,4e7r_protein.pt,4e7r_pocket.pt,4e7r_ligand.pt
1c4u,N=[C+](=N)C1CCC(CC1)CNC(=O)C1C=CCN2C(=O)N(CCS(=O)(=O)C3C=CC(Br)=CC=3)C(=O)N12,10.37,1c4u_protein.pt,1c4u_pocket.pt,1c4u_ligand.pt
1fao,O=P(=O)(=O)OC1C(O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,7.37,1fao_protein.pt,1fao_pocket.pt,1fao_ligand.pt
4io6,CSCCC([NH3+])C(=O)[O-],4.82,4io6_protein.pt,4io6_pocket.pt,4io6_ligand.pt
5nee,NS(=O)(=O)C1=CC=C(S1)C1=CN=C(O1)C(=O)N1CCOCC1,10.7,5nee_protein.pt,5nee_pocket.pt,5nee_ligand.pt
3upk,CC(=O)NC1C(OC(CO)C(O)C1O)O[P](=O)(=O)O[P](=O)(=O)OCC1OC(C(O)C1O)N1C=CC(=O)NC1=O,4.3,3upk_protein.pt,3upk_pocket.pt,3upk_ligand.pt
1g2o,O=C1NC=NC2C(=CNC=21)C1[NH2+]C(CO)C(O)C1O,10.55,1g2o_protein.pt,1g2o_pocket.pt,1g2o_ligand.pt
2e7f,CN1C2C(=O)NC(N)=NC=2NCC1CNC1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],6.1,2e7f_protein.pt,2e7f_pocket.pt,2e7f_ligand.pt
3ujc,C[N+](C)(C)CCOP(=O)(=O)=O,4.59,3ujc_protein.pt,3ujc_pocket.pt,3ujc_ligand.pt
1okl,CN(C)C1=CC=CC2C1=CC=CC=2S(N)(=O)=O,6.03,1okl_protein.pt,1okl_pocket.pt,1okl_ligand.pt
6h2t,[NH3+]C(CCC(=O)[O-])C(=O)[O-],4.82,6h2t_protein.pt,6h2t_pocket.pt,6h2t_ligand.pt
1pzi,O=[N+]([O-])C1C=C(C=C(C=1)CO)OC1OC(CO)C(O)C(O)C1O,4.22,1pzi_protein.pt,1pzi_pocket.pt,1pzi_ligand.pt
4oeu,[NH3+]C(CC1=CNC=N1)C(=O)[O-],7.66,4oeu_protein.pt,4oeu_pocket.pt,4oeu_ligand.pt
1nfx,O=C1CN(CCN1CC1=CC2C=NC=CC=2N1CCO)S(=O)(=O)C1=CC2C=CC(Cl)=CC=2S1,8.52,1nfx_protein.pt,1nfx_pocket.pt,1nfx_ligand.pt
4ahr,O=C([O-])CCC1=CC=C2OCOC2=C1,2.19,4ahr_protein.pt,4ahr_pocket.pt,4ahr_ligand.pt
1f0r,NC1=NC=CC2=CC=C(C=C21)CN1CCC(NS(=O)(=O)C2=CC3=NC=CC=C3S2)C1=O,7.66,1f0r_protein.pt,1f0r_pocket.pt,1f0r_ligand.pt
1r5y,NC1=CC=C2N=C(N)NC(=O)C2=C1,6.46,1r5y_protein.pt,1r5y_pocket.pt,1r5y_ligand.pt
4erf,CCC(C(C)O)N1C(=O)C(C)(CC(=O)[O-])CC(C2C=C(Cl)C=CC=2)C1C1C=CC(Cl)=CC=1,9.4,4erf_protein.pt,4erf_pocket.pt,4erf_ligand.pt
1h0a,O=P(=O)(=O)OC1C(O)C(O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,5.44,1h0a_protein.pt,1h0a_pocket.pt,1h0a_ligand.pt
2ra6,CCC1C=CC(O)=CC=1,4.52,2ra6_protein.pt,2ra6_pocket.pt,2ra6_ligand.pt
1b6l,CC(C)(C)NC(=O)C1CCCC[NH+]1CC(O)C1CC2C=CC(=CC=2)OCCCC(=O)NC(CC(N)=O)C(=O)N1,8.3,1b6l_protein.pt,1b6l_pocket.pt,1b6l_ligand.pt
5uc4,CC(C)C1=CC(C(=O)N2C=C3C=CC=CC3=C2)=C(O)C=C1C=O,6.46,5uc4_protein.pt,5uc4_pocket.pt,5uc4_ligand.pt
4zec,CC(C)C(O)C(O)C(=O)N[P](=O)(=O)OC1CC(O)C(O1)N1C=NC2C(=NC=NC=21)N[P](=O)(=O)OC1C(O)OC(CO)C(O)C1O,5.82,4zec_protein.pt,4zec_pocket.pt,4zec_ligand.pt
5g57,COC1C=CC(=CC=1OCCCCOC1C=CC(=CC=1)C1=NN=NN1)C1=NN(C(=O)C2CC=CCC12)C1CCCCCC1,8.4,5g57_protein.pt,5g57_pocket.pt,5g57_ligand.pt
4crb,O=C1C=C(O)C2=CC(=CC=C2N1)C(=O)NC(CC1C=CC=CC=1)C(=O)NCCC1C=C(Cl)C=CC=1N1C=NN=N1,7.57,4crb_protein.pt,4crb_pocket.pt,4crb_ligand.pt
4q1w,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,11.7,4q1w_protein.pt,4q1w_pocket.pt,4q1w_ligand.pt
2xdk,NC1=NC=CC(=N1)C1C=NC=CC=1,3.6,2xdk_protein.pt,2xdk_pocket.pt,2xdk_ligand.pt
3mhi,NS(=O)(=O)C1C=CC(=CC=1)CNC1=NC=NC(O)=C1[N+](=O)[O-],6.7,3mhi_protein.pt,3mhi_pocket.pt,3mhi_ligand.pt
3tz0,CC(C)CC(Cl)C(=O)[O-],5.04,3tz0_protein.pt,3tz0_pocket.pt,3tz0_ligand.pt
2gj5,C=C1CCC(O)CC1CCC1CCCC2(C)C(CCC12)C(C)CCCC(C)C,8.32,2gj5_protein.pt,2gj5_pocket.pt,2gj5_ligand.pt
1pkx,O=C1NC(=O)C2N=CN(C=2N1)C1OC(COP(=O)(=O)=O)C(O)C1O,6.92,1pkx_protein.pt,1pkx_pocket.pt,1pkx_ligand.pt
3czv,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,7.8,3czv_protein.pt,3czv_pocket.pt,3czv_ligand.pt
4lch,CC(O)(C1C=CC(O)=CC=1)C(NC(=O)C1C=CC(C#CC#CC2C=CC(N)=CC=2)=CC=1)C(=O)NO,10.62,4lch_protein.pt,4lch_pocket.pt,4lch_ligand.pt
4crc,O=C(C=CC1=CC(Cl)=CC=C1N1C=NN=N1)NC(CC1C=CC=CC=1)C(=O)NC1C=CC(=CC=1)C1N=NNN=1,8.72,4crc_protein.pt,4crc_pocket.pt,4crc_ligand.pt
3v5t,CCOC1C=CC2C=C(C=CC=2C=1)C1=NN(CC(C(C)C)[NH+](C)C)C2=NC=NC(N)=C12,8.22,3v5t_protein.pt,3v5t_pocket.pt,3v5t_ligand.pt
4dmw,O=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.94,4dmw_protein.pt,4dmw_pocket.pt,4dmw_ligand.pt
4zx1,CC(=O)OC1C(O)C(O)C(CO)OC1S(=O)(=O)N1CCC(CC1)OS(N)(=O)=O,6.14,4zx1_protein.pt,4zx1_pocket.pt,4zx1_ligand.pt
3cs7,COC1C=CC(=CC=1)N1N=C(C2CCN(C(=O)C=21)C1C=CC(=CC=1)C1(CC1)C[NH+]1CCCC1)C(F)(F)F,10.68,3cs7_protein.pt,3cs7_pocket.pt,3cs7_ligand.pt
1jsv,NC1C=C(N=CN=1)NC1C=CC(=CC=1)S(N)(=O)=O,5.7,1jsv_protein.pt,1jsv_pocket.pt,1jsv_ligand.pt
5dkn,C1=CNC(=N1)C1C=CC(=CC=1)OCCCCCCCOC1C=CC(=CC=1)C1=NC=CN1,3.69,5dkn_protein.pt,5dkn_pocket.pt,5dkn_ligand.pt
2p09,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.35,2p09_protein.pt,2p09_pocket.pt,2p09_ligand.pt
4bcm,CNC1=NC(C)=C(S1)C1=NC(=NC=C1C#N)NC1C=CC(C)=C(C=1)S(=O)(=O)N1CCOCC1,6.91,4bcm_protein.pt,4bcm_pocket.pt,4bcm_ligand.pt
3ibu,CCCCCCCCCCOS(N)(=O)=O,9.15,3ibu_protein.pt,3ibu_pocket.pt,3ibu_ligand.pt
3a1e,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)CP(=O)(=O)=O)C(O)C1O,2.66,3a1e_protein.pt,3a1e_pocket.pt,3a1e_ligand.pt
5n17,CN1C(=O)C2=CC=CC=C2SC2=CC(=CC=C21)NC(=O)C1CCCO1,5.32,5n17_protein.pt,5n17_pocket.pt,5n17_ligand.pt
6h8s,NC(=[NH2+])NC1=CC(=CC(=C1)C1CC[NH2+]CC1)C(F)(F)F,4.42,6h8s_protein.pt,6h8s_pocket.pt,6h8s_ligand.pt
4r06,CCC(NC(=O)C1=CC=C2C(C=CN2S(=O)(=O)C2=CC=CC3C=CC=CC=32)=C1)C1C=CC=CC=1,6.29,4r06_protein.pt,4r06_pocket.pt,4r06_ligand.pt
3zcl,CC(C)NC1C=CC2=NN=C(C(C)C3=CNC4N=CC=CC=43)N2N=1,8.0,3zcl_protein.pt,3zcl_pocket.pt,3zcl_ligand.pt
1grp,O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-],3.72,1grp_protein.pt,1grp_pocket.pt,1grp_ligand.pt
4h3j,CN1C(=O)C2CN(CC2(N[C+]1=N)C1=CC=C(S1)C1C=CC(F)=C(C#N)C=1)C1C=CC=CC=1,7.05,4h3j_protein.pt,4h3j_pocket.pt,4h3j_ligand.pt
4y3y,CC(C)CC([NH3+])CO,2.35,4y3y_protein.pt,4y3y_pocket.pt,4y3y_ligand.pt
1m48,COC(=O)C(CC1C=CC(C#CC2C=CC=CC=2)=CC=1)NC(=O)CC1CCCN(C1)C(N)=[NH2+],5.09,1m48_protein.pt,1m48_pocket.pt,1m48_ligand.pt
5jsg,O=C(C1=CC=C(C(=O)N2CCC(CC2)CC[NH+]2CCCC2)C(=C1)NC1C=CC=CC=1)N1CCC(CC1)CC[NH+]1CCCC1,4.85,5jsg_protein.pt,5jsg_pocket.pt,5jsg_ligand.pt
1d3d,OC1=CC=C2C(=C1)SC(C1C=CC(=CC=1)OCC[NH+]1CCCC1)=C2CC1=CC=C(C[NH+]2CCCC2)C(Br)=C1,9.09,1d3d_protein.pt,1d3d_pocket.pt,1d3d_ligand.pt
3b65,CC(O)(COC1C=CC(C#N)=CC=1)C(=O)NC1=CC=C(C#N)C(I)=C1,9.27,3b65_protein.pt,3b65_pocket.pt,3b65_ligand.pt
5ix0,NC1=CC=C(C=C1NC(=O)C1CC2CCC(C1)O2)C1C=CC(F)=CC=1,6.28,5ix0_protein.pt,5ix0_pocket.pt,5ix0_ligand.pt
3eeb,O=P(=O)(=O)OC1C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1OP(=O)(=O)=O,5.89,3eeb_protein.pt,3eeb_pocket.pt,3eeb_ligand.pt
4ysl,[NH3+]C(CCC(=O)NC(CS)C(=O)NCC(=O)[O-])C(=O)[O-],5.8,4ysl_protein.pt,4ysl_pocket.pt,4ysl_ligand.pt
5cqt,CCN1C(=O)C2=CC=CC3C(=CC=C1C=32)S(=O)(=O)NC1CCCCC1,6.91,5cqt_protein.pt,5cqt_pocket.pt,5cqt_ligand.pt
1xq0,N#CC1C=CC(=CC=1)N(CC1=CC=C(OS(N)(=O)=O)C(Br)=C1)N1C=NN=C1,6.34,1xq0_protein.pt,1xq0_pocket.pt,1xq0_ligand.pt
5dit,COC1C=CC(=CC=1OC)CCC(OC(=O)C1CCCCN1C(=O)C(C(C)O)C1CCCCC1)C1C=CC=C(C=1)OCC[NH+]1CCOCC1,6.15,5dit_protein.pt,5dit_pocket.pt,5dit_ligand.pt
5vcv,CC1=NC(=CC(=N1)N1CC[NH+](CCO)CC1)NC1=NC=C(S1)C(=O)NC1C(Cl)=CC=CC=1C,6.82,5vcv_protein.pt,5vcv_pocket.pt,5vcv_ligand.pt
2xc4,O=C(NC1C=CC(Cl)=CC=1)C1C[NH+](CC1C(=O)NC1=CC=C(C=C1F)N1C=CC=CC1=O)CC(F)(F)F,8.05,2xc4_protein.pt,2xc4_pocket.pt,2xc4_ligand.pt
3ipu,CCCC1C(=CC=C2C(=NOC=12)C(F)(F)F)OCCCN(C)C(=O)NC1C=CC(=CC=1)C(=O)[O-],7.32,3ipu_protein.pt,3ipu_pocket.pt,3ipu_ligand.pt
5n1r,NS(=O)(=O)C1C=CC(=CC=1)C1C=CC(=CC=1)CN1C=CC=N1,7.95,5n1r_protein.pt,5n1r_pocket.pt,5n1r_ligand.pt
5mby,O=C([O-])C1CCC[NH2+]1,3.51,5mby_protein.pt,5mby_pocket.pt,5mby_ligand.pt
1xd0,CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1[NH2+]C1CC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O,7.12,1xd0_protein.pt,1xd0_pocket.pt,1xd0_ligand.pt
2ha3,C[N+](C)(C)CCO,3.03,2ha3_protein.pt,2ha3_pocket.pt,2ha3_ligand.pt
1q84,NC1=CC=C2C3=CC=C(N)C=C3[N+](CCCCCCC3=CN(CCNC4C5=CC=CC=C5N=C5CCCCC=45)N=N3)=C(C3C=CC=CC=3)C2=C1,11.05,1q84_protein.pt,1q84_pocket.pt,1q84_ligand.pt
2v2q,N=C1C=CN(C(=O)N1)C1OC(CNC(=O)CCC2=NC3=CC=CC=C3N2)C(O)C1O,4.15,2v2q_protein.pt,2v2q_pocket.pt,2v2q_ligand.pt
7std,CCC1(C(=O)NC(C)C2C=CC(Cl)=CC=2)C(C)C1(Cl)Cl,10.72,7std_protein.pt,7std_pocket.pt,7std_ligand.pt
4v01,CC1C=CC(=CC=1C#CC1=CN=C2C=CC=NN12)C(=O)NC1C=CC(C[NH+]2CC[NH+](C)CC2)=C(C=1)C(F)(F)F,8.11,4v01_protein.pt,4v01_pocket.pt,4v01_ligand.pt
2hoc,NC1C(F)=CC(=CC=1Cl)S(=O)(=O)NC1=NN=C(S1)S(N)(=O)=O,9.52,2hoc_protein.pt,2hoc_pocket.pt,2hoc_ligand.pt
3b66,CC(O)(COC1C=CC(=CC=1)[N+](=O)[O-])C(=O)NC1C=CC(C#N)=C(C=1)C(F)(F)F,8.6,3b66_protein.pt,3b66_pocket.pt,3b66_ligand.pt
5fe9,C=C1CC(=O)N(C)C2C=C(C=CC=21)NS(C)(=O)=O,4.68,5fe9_protein.pt,5fe9_pocket.pt,5fe9_ligand.pt
1njs,NC1=NC(N)=C(CCCC(C2C=CC(=CC=2)C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(O)(O)C(F)(F)F)C(=O)N1,7.82,1njs_protein.pt,1njs_pocket.pt,1njs_ligand.pt
2r2m,NC(=[NH2+])NOCCNC(=O)CC1C(Cl)=CC=C(NCC(F)(F)C2C=CC=CC=2)C=1F,7.33,2r2m_protein.pt,2r2m_pocket.pt,2r2m_ligand.pt
5yh8,CC([NH2+]C(CC[NH2+]C(CC1=CN=CN1)C(=O)[O-])C(=O)[O-])C(=O)[O-],6.78,5yh8_protein.pt,5yh8_pocket.pt,5yh8_ligand.pt
6cwh,COC1OC2COC(C)(OC2C(O)C1NC(C)=O)C(=O)[O-],7.54,6cwh_protein.pt,6cwh_pocket.pt,6cwh_ligand.pt
2f7p,CSC1C(O)C(O)C(O)C1[NH2+]CC1C=CC=CC=1,6.6,2f7p_protein.pt,2f7p_pocket.pt,2f7p_ligand.pt
1k6v,CC(C1C=CC=CC=1)C(CC(O)C[NH+]1CC[NH+](CC2=CC=C3OCOC3=C2)CC1C(=O)NC(C)(C)C)C(=O)NC1C2C=CC=CC=2CC1O,6.92,1k6v_protein.pt,1k6v_pocket.pt,1k6v_ligand.pt
2a5s,[NH3+]C(CCC(=O)[O-])C(=O)[O-],6.7,2a5s_protein.pt,2a5s_pocket.pt,2a5s_ligand.pt
4w9o,COC1=CC=C(C=C1OC)OCCN1CC(C(O)CO)C2CCCC(C1=O)N2S(=O)(=O)C1C=C(Cl)C=C(Cl)C=1,7.77,4w9o_protein.pt,4w9o_pocket.pt,4w9o_ligand.pt
3pce,O=C([O-])CC1C=C(O)C=CC=1,2.0,3pce_protein.pt,3pce_pocket.pt,3pce_ligand.pt
4jal,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,4.6,4jal_protein.pt,4jal_pocket.pt,4jal_ligand.pt
5k03,CC1C=CC2=NC(C)=C(C3=CC=NN3)N2C=1,4.74,5k03_protein.pt,5k03_pocket.pt,5k03_ligand.pt
3iof,CC(C)OP(=O)(OC(C)C)C1C=CC=CC=1CS,5.22,3iof_protein.pt,3iof_pocket.pt,3iof_ligand.pt
4q0k,C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)[O-],4.87,4q0k_protein.pt,4q0k_pocket.pt,4q0k_ligand.pt
1ie9,C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)CC1O,10.19,1ie9_protein.pt,1ie9_pocket.pt,1ie9_ligand.pt
3muz,CC(C)SC1OC(CO)C(O)C(O)C1O,3.46,3muz_protein.pt,3muz_pocket.pt,3muz_ligand.pt
3d4y,OCC1C(O)C(O)C(O)C2=NC=CN21,5.7,3d4y_protein.pt,3d4y_pocket.pt,3d4y_ligand.pt
5ia5,C[NH+]1CC[NH+](CC1)C1CCN(CC1)C(=O)NC1=CC(=CC=N1)OC1C=CC(NC(=O)C2(CC2)C(=O)NC2C=CC(F)=CC=2)=C(F)C=1,7.6,5ia5_protein.pt,5ia5_pocket.pt,5ia5_ligand.pt
2yfa,O=C([O-])CC(O)C(=O)[O-],5.07,2yfa_protein.pt,2yfa_pocket.pt,2yfa_ligand.pt
4rdn,CNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,5.92,4rdn_protein.pt,4rdn_pocket.pt,4rdn_ligand.pt
5nya,NS(=O)(=O)C1C=CC=CC=1,6.38,5nya_protein.pt,5nya_pocket.pt,5nya_ligand.pt
3zns,C[NH+]1CCC(CC1)(CNC(=O)C1C=CC=C(C=1)C1=NOC(=N1)C(F)(F)F)C1=NC(=CS1)C1C=CC=CC=1,7.41,3zns_protein.pt,3zns_pocket.pt,3zns_ligand.pt
4mrz,CC1=CC=NC(N)=C1[N+](=O)[O-],3.52,4mrz_protein.pt,4mrz_pocket.pt,4mrz_ligand.pt
1k1o,NC(=[NH2+])NCCCNC(=O)C1CCCCN1C(=O)C(CC1CCCCC1)[NH2+]CC(=O)[O-],6.17,1k1o_protein.pt,1k1o_pocket.pt,1k1o_ligand.pt
3m3x,COC1N=CN=C(NCCC2C=CC(=CC=2)S(N)(=O)=O)C=1[N+](=O)[O-],6.82,3m3x_protein.pt,3m3x_pocket.pt,3m3x_ligand.pt
2fqx,NC1=NC2=C(N=CN2C2OC(CO)C(O)C2O)C(=O)N1,7.15,2fqx_protein.pt,2fqx_pocket.pt,2fqx_ligand.pt
3ozj,C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(OC(C)=O)C12,5.11,3ozj_protein.pt,3ozj_pocket.pt,3ozj_ligand.pt
5i7x,CN(C)C(=O)C1C=CC=C(C=1)C1=CN(C)C(=O)C2NC=CC=21,7.28,5i7x_protein.pt,5i7x_pocket.pt,5i7x_ligand.pt
4z0q,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CCCC2C=CC=CC=21,8.17,4z0q_protein.pt,4z0q_pocket.pt,4z0q_ligand.pt
5h9r,OCC1OC(SC2OC(CO)C(O)C(C2O)N2C=C(N=N2)C2C=C(F)C=CC=2)C(O)C(O)C1O,6.08,5h9r_protein.pt,5h9r_pocket.pt,5h9r_ligand.pt
5tfx,NS(=O)(=O)C1C=CC2OC(=NC=2C=1)NC(=O)C1C=CC=CC=1,7.22,5tfx_protein.pt,5tfx_pocket.pt,5tfx_ligand.pt
3tu7,CS(=O)(=O)NC(CC1C=CC=CC=1)C(=O)N1CCCC1C(=O)NCC1CCN(CC1)C(N)=[NH2+],8.09,3tu7_protein.pt,3tu7_pocket.pt,3tu7_ligand.pt
4qd6,O=S(=O)(C1C=CC=CC=1)C1C=C(N=C(C=1)NC1C=C(NN=1)C1C=CC=CC=1)NC1CCC(O)CC1,8.64,4qd6_protein.pt,4qd6_pocket.pt,4qd6_ligand.pt
3uuo,COC1=CC(C)=C2N=C3NN=C(C)C3=C(C2=C1)N1CC[NH2+]CC1,7.96,3uuo_protein.pt,3uuo_pocket.pt,3uuo_ligand.pt
2am4,O=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OC2OC(CO)C(O)C(O)C2F)C(O)C1O,3.72,2am4_protein.pt,2am4_pocket.pt,2am4_ligand.pt
4ual,O=C(NC1C=NNC=1C1C=CC=CN=1)C1=NN(C=C1Cl)C1CC[NH2+]CC1,8.4,4ual_protein.pt,4ual_pocket.pt,4ual_ligand.pt
2zdk,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)C1CCCN1C(=O)CCC1CCCCC1,6.37,2zdk_protein.pt,2zdk_pocket.pt,2zdk_ligand.pt
3nu5,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,8.35,3nu5_protein.pt,3nu5_pocket.pt,3nu5_ligand.pt
5fyx,C[NH+]1CC[NH+](CC1)[NH2+]CCN1C2=CC=CC=C2SC2C=CC(Cl)=CC=21,4.16,5fyx_protein.pt,5fyx_pocket.pt,5fyx_ligand.pt
3uev,CCCCCCCCCCCCCC(=O)[O-],5.89,3uev_protein.pt,3uev_pocket.pt,3uev_ligand.pt
2uyq,NC1=NC=NC2=C1N=CN2C1OCC(O)C1O,5.68,2uyq_protein.pt,2uyq_pocket.pt,2uyq_ligand.pt
1dhi,CN(CC1C=NC2=NC(N)=NC(N)=C2N=1)C1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],7.26,1dhi_protein.pt,1dhi_pocket.pt,1dhi_ligand.pt
5orh,CC1C=CC=CC=1C1=CC=C(C=C1Cl)C[NH3+],4.39,5orh_protein.pt,5orh_pocket.pt,5orh_ligand.pt
5vb6,CC(C)=CCN(C(=O)N(C)C1CCC(CC1)C1C=CN=CC=1)C1C=CC=C(C=1)NC(=O)C1C=CC=CC=1,6.37,5vb6_protein.pt,5vb6_pocket.pt,5vb6_ligand.pt
4wt2,COC1=CC(=CC=C1C(=O)[O-])NC(=O)CC1(C)CC(C2C=CC=C(Cl)C=2)C(C2C=CC(Cl)=C(F)C=2)N(C1=O)C(CS(=O)(=O)C(C)(C)C)C1CC1,10.42,4wt2_protein.pt,4wt2_pocket.pt,4wt2_ligand.pt
3ge7,CNC1=NC2C(=CC3C(=O)N[C+](=N)NC=3C=2CC[NH2+]CC2CCCC2)N1,8.7,3ge7_protein.pt,3ge7_pocket.pt,3ge7_ligand.pt
5orj,CCC1C=CC=CC=1C1=CC=C(C=C1Cl)C[NH3+],4.77,5orj_protein.pt,5orj_pocket.pt,5orj_ligand.pt
1lag,[NH3+]C(CC1=CNC=N1)C(=O)[O-],6.3,1lag_protein.pt,1lag_pocket.pt,1lag_ligand.pt
5ewk,C[NH+](C)CC(=O)NC1C=CC2NC(=O)C3=CC=CC=C3C=2C=1,4.85,5ewk_protein.pt,5ewk_pocket.pt,5ewk_ligand.pt
3m35,CS(=O)(=O)C1=CC=CC=C1C1C=CC(NC(=O)C2=CC(=NN2C2C=C(C=CC=2)C[NH3+])C(F)(F)F)=C(F)C=1,7.22,3m35_protein.pt,3m35_pocket.pt,3m35_ligand.pt
2v3d,CCCC[NH+]1CC(O)C(O)C(O)C1CO,3.94,2v3d_protein.pt,2v3d_pocket.pt,2v3d_ligand.pt
5vd0,C=CCN1C(=O)C2=CN=C(N=C2N1C1C=CC=C(N=1)C(C)(C)O)NC1C=CC(=CC=1)N1CC[NH+](C)CC1,6.49,5vd0_protein.pt,5vd0_pocket.pt,5vd0_ligand.pt
6mjf,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,5.16,6mjf_protein.pt,6mjf_pocket.pt,6mjf_ligand.pt
4a7i,CC(C)[NH+]1CCC(CC1)NS(=O)(=O)CCNC(=O)C1=CC=C(Cl)S1,8.7,4a7i_protein.pt,4a7i_pocket.pt,4a7i_ligand.pt
5os8,CC1C=C(F)C=CC=1C1=CC=C(C=C1Cl)C[NH3+],3.98,5os8_protein.pt,5os8_pocket.pt,5os8_ligand.pt
1c88,O=C([O-])C(=O)NC1SC2C[NH2+]CCC=2C=1C(=O)[O-],5.29,1c88_protein.pt,1c88_pocket.pt,1c88_ligand.pt
5jgq,NC(=[NH2+])NCCCC(NC(=O)C1C=CC=CC=1)C(=O)[O-],4.62,5jgq_protein.pt,5jgq_pocket.pt,5jgq_ligand.pt
5n84,CC(C)CNC1=NC=CN2C(=CN=C12)C1C=CC(=CC=1)C(=O)NC1CC1,7.96,5n84_protein.pt,5n84_pocket.pt,5n84_ligand.pt
3bex,CC(C)(CO)C(O)C(=O)NCCC(=O)[O-],5.57,3bex_protein.pt,3bex_pocket.pt,3bex_ligand.pt
3p3g,CC(O)C(NC(=O)C1C=CC(C#CC#CC2C=CC=CC=2)=CC=1)C(=O)N=O,9.74,3p3g_protein.pt,3p3g_pocket.pt,3p3g_ligand.pt
2fqw,O=C1NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,6.68,2fqw_protein.pt,2fqw_pocket.pt,2fqw_ligand.pt
5caq,COC1CCN(CC1F)C1N=CC=C(N=1)NC1C=C2C(=CN=1)N=C(C)N2C(C)C,8.57,5caq_protein.pt,5caq_pocket.pt,5caq_ligand.pt
3hf8,NC1=NC(=CC(=N1)OC(C1C=CC(=CC=1)C1C=C(F)C=CC=1)C(F)(F)F)C1C=CC(=CC=1)CC([NH3+])C(=O)[O-],6.51,3hf8_protein.pt,3hf8_pocket.pt,3hf8_ligand.pt
4x6o,COC(=O)NC1C=CC(=CC=1)C1N=C(NC=1Cl)C(CC1C=CC=CC=1)NC(=O)CCC1=CC(Cl)=CC=C1N1C=NN=N1,8.72,4x6o_protein.pt,4x6o_pocket.pt,4x6o_ligand.pt
1uvt,CC1=CC(=CC(=C1)NS(=O)(=O)C1C=CC=CC=1)OCCNC1C=CN=CC=1,7.64,1uvt_protein.pt,1uvt_pocket.pt,1uvt_ligand.pt
6gl8,O=C(C1C=C(C2=CC3OCOC=3C=C2C(=O)N2CC3C=CC=CC=3CC2C[NH+]2CCOCC2)N2CCCCC=12)N(C1C=CC=CC=1)C1C=CC(O)=CC=1,8.61,6gl8_protein.pt,6gl8_pocket.pt,6gl8_ligand.pt
1bma,CC(C)CC(NC(=O)C(F)(F)F)C(=O)N[N+](C)(CC(=O)NC1C=CC(=CC=1)C(C)C)CC1C=CC=CC=1,4.59,1bma_protein.pt,1bma_pocket.pt,1bma_ligand.pt
4gzp,CCC(CC)OC1C=C(CC([NH3+])C1NC(C)=O)C(=O)[O-],7.84,4gzp_protein.pt,4gzp_pocket.pt,4gzp_ligand.pt
4x5y,CC1=C(C=CC2=C1C=C(C#N)N2CC1C=NNC=1)C[NH+]1CCC(CC1)NC1=NC=NC2SC(=CC=21)CC(F)(F)F,8.03,4x5y_protein.pt,4x5y_pocket.pt,4x5y_ligand.pt
2hmu,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,7.7,2hmu_protein.pt,2hmu_pocket.pt,2hmu_ligand.pt
3qwc,C[N+]1C=C(CNC(=O)C2CCCN2C(=O)C([NH3+])CC2C=CC=CC=2)C(Cl)=CC=1,4.26,3qwc_protein.pt,3qwc_pocket.pt,3qwc_ligand.pt
2p4y,COC1C=CC2C(=NOC=2C=1)C1C2C=CC(=CC=2N(CC2=CC(=CC=C2Cl)OC(C)C(=O)[O-])C=1C)OC(F)(F)F,9.0,2p4y_protein.pt,2p4y_pocket.pt,2p4y_ligand.pt
3f68,CC(=O)NC(CC1CCCCC1)C(=O)N1CCCC1C(=O)NCC1C=CC=C(Cl)C=1,5.06,3f68_protein.pt,3f68_pocket.pt,3f68_ligand.pt
4k18,N#CC1C=CC(=CC=1)CC1C=C(O)N2N=CC(C(=O)NC3C=CC(F)=CC=3)=C2N=1,8.96,4k18_protein.pt,4k18_pocket.pt,4k18_ligand.pt
4w9k,CC(=O)NC(CC1C=CC=CC=1)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCC1C=CC(=CC=1)C1SC=NC=1C)C(C)(C)C,6.54,4w9k_protein.pt,4w9k_pocket.pt,4w9k_ligand.pt
5lom,NC(=O)CCC([NH2+]CC1(O)OCC(O)C(O)C1O)C(=O)[O-],7.13,5lom_protein.pt,5lom_pocket.pt,5lom_ligand.pt
5z7b,COC1=CC(=CC=C1O)C(=O)[O-],4.89,5z7b_protein.pt,5z7b_pocket.pt,5z7b_ligand.pt
3kmx,CCCCOC1=CC=C(C=C1Cl)CS[C+](=N)=N,4.82,3kmx_protein.pt,3kmx_pocket.pt,3kmx_ligand.pt
4k55,CC(CO)CCO[P](=O)(=O)OP(=O)(=O)=O,5.51,4k55_protein.pt,4k55_pocket.pt,4k55_ligand.pt
1c5n,N=[C+](=N)C1=CC2C(I)=CC=CC=2S1,4.7,1c5n_protein.pt,1c5n_pocket.pt,1c5n_ligand.pt
1c3x,NC1=NC2NC(I)=NC=2C(=O)N1,3.68,1c3x_protein.pt,1c3x_pocket.pt,1c3x_ligand.pt
5g1z,CCOC(=O)C1=CN=C2C=CC(=CC2=C1SCCC#N)OC,5.32,5g1z_protein.pt,5g1z_pocket.pt,5g1z_ligand.pt
3wz6,O=C(C[NH2+]CC1C=CC=CC=1)NC1SC=C(C2C=CC=CC=2)C=1C(=O)NCC1C=CC=CC=1,5.96,3wz6_protein.pt,3wz6_pocket.pt,3wz6_ligand.pt
5edb,CC1N=C2C=CC(Cl)=CC2=C(C2C=CC=CC=2)C=1C(=O)[O-],7.0,5edb_protein.pt,5edb_pocket.pt,5edb_ligand.pt
5gmn,CC1(C)OC(C2C=CC(=CC=2)S(N)(=O)=O)=C(C1=O)C1C=C(F)C=CC=1,4.73,5gmn_protein.pt,5gmn_pocket.pt,5gmn_ligand.pt
3t0d,O=C1OC(CO)C(O)C(O)C1O,2.37,3t0d_protein.pt,3t0d_pocket.pt,3t0d_ligand.pt
5aba,OC1C(=CC(Cl)=CC=1Br)C[NH+]1CCC(CC1)[NH+]1CCC(O)CC1,2.98,5aba_protein.pt,5aba_pocket.pt,5aba_ligand.pt
1xpz,N#CC1C=CC(=CC=1)N(CC1C=CC(=CC=1)OS(N)(=O)=O)N1C=NN=C1,7.08,1xpz_protein.pt,1xpz_pocket.pt,1xpz_ligand.pt
6czb,O=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.33,6czb_protein.pt,6czb_pocket.pt,6czb_ligand.pt
3kek,CC1C=C(C=C(N=1)C(=O)NCC1C=CC(F)=CC=1)C1N=CN(CC2CCC(CC2)C(=O)[O-])N=1,8.36,3kek_protein.pt,3kek_pocket.pt,3kek_ligand.pt
2pu1,O=C(NO)C(F)P(=O)(=O)=O,5.85,2pu1_protein.pt,2pu1_pocket.pt,2pu1_ligand.pt
6rnt,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1OP(=O)(=O)=O,2.37,6rnt_protein.pt,6rnt_pocket.pt,6rnt_ligand.pt
1y1z,[NH3+]C1(CCC1)C(=O)[O-],3.08,1y1z_protein.pt,1y1z_pocket.pt,1y1z_ligand.pt
5tbm,CS(=O)(=O)C1C=CC(OC2C=C(C#N)C=C(F)C=2)=C2CC(F)(F)C(O)C=12,7.31,5tbm_protein.pt,5tbm_pocket.pt,5tbm_ligand.pt
6g3a,NC1=NC=NC2=C1C(I)=CN2C1OC(CO)C(O)C1O,8.38,6g3a_protein.pt,6g3a_pocket.pt,6g3a_ligand.pt
4o0b,CC1=CN(C2C=C(C3C(=O)NCCC=3C=2)C2CCCC2)C2CC(C)(C)CC(=O)C=21,8.3,4o0b_protein.pt,4o0b_pocket.pt,4o0b_ligand.pt
5b5g,COC(=O)C1=CN=CC(=C1)C1=CC2C(=O)NC=CC=2O1,5.25,5b5g_protein.pt,5b5g_pocket.pt,5b5g_ligand.pt
1xk9,C[NH+](C)CC(=O)NC1C=CC2NC(=O)C3=CC=CC=C3C=2C=1,6.85,1xk9_protein.pt,1xk9_pocket.pt,1xk9_ligand.pt
3po1,CCOC(=O)C[N+]1C2=CC=C(O)C=C2SC=1NC(N)=[NH2+],4.02,3po1_protein.pt,3po1_pocket.pt,3po1_ligand.pt
3wjw,CC1=CC(=O)NC(=O)N1C1OC(COP(=O)(=O)=O)C(O)C1O,3.87,3wjw_protein.pt,3wjw_pocket.pt,3wjw_ligand.pt
3cm2,CCC([NH3+])C(=O)NC1C(=O)N2C(CCC1C[NH3+])CCC2C(=O)NC(C1C=CC=CC=1)C1C=CC=CC=1,6.47,3cm2_protein.pt,3cm2_pocket.pt,3cm2_ligand.pt
3h30,OCC1OC(C(O)C1O)N1C=NC2=CC(Cl)=C(Cl)C=C21,4.53,3h30_protein.pt,3h30_pocket.pt,3h30_ligand.pt
4bao,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)C1CCN1C(=O)C([NH2+]CC(N)=O)C1CCCCC1,8.37,4bao_protein.pt,4bao_pocket.pt,4bao_ligand.pt
5m7u,CNC(=O)CC1C(O)C(O)C(CO)[NH+]1CCCC1C=CC=C(C=1)C(F)(F)F,8.1,5m7u_protein.pt,5m7u_pocket.pt,5m7u_ligand.pt
4g0q,N=[C+]1C=CN(C(=O)N1)C1OC(COP(=O)(=O)=O)C(O)C1O,2.52,4g0q_protein.pt,4g0q_pocket.pt,4g0q_ligand.pt
5we9,O=C1NC(=NC(C(=O)NCCC2C=CC=CC=2)=C1O)C1CCCN1C(=O)C1C(F)=CC=CC=1F,7.22,5we9_protein.pt,5we9_pocket.pt,5we9_ligand.pt
1v2j,N=[C+](=N)C1C=CC=CC=1,3.25,1v2j_protein.pt,1v2j_pocket.pt,1v2j_ligand.pt
1ypg,N=[C+](=N)C1C=CC(=CC=1)C1C2C(=O)N(CC3C=CC4OCOC=4C=3)C(C3CC3)C2C2CCC[NH+]21,8.0,1ypg_protein.pt,1ypg_pocket.pt,1ypg_ligand.pt
3hzv,CCCOC1(CC(OC2(CC(O)C(O)C(O2)C(O)CO)C(=O)[O-])C(O)C(O1)C(O)CO)C(=O)[O-],6.52,3hzv_protein.pt,3hzv_pocket.pt,3hzv_ligand.pt
4m2r,CC[NH2+]C1CN(CCCOC)S(=O)(=O)C2SC(=CC=21)S(N)(=O)=O,8.49,4m2r_protein.pt,4m2r_pocket.pt,4m2r_ligand.pt
3s0b,C1=CC=C(C=C1)NC1C=CC=C2C=CC=CC=12,6.49,3s0b_protein.pt,3s0b_pocket.pt,3s0b_ligand.pt
1ezq,COC(=O)C(CC1C=CC=C(C=1)[C+](=N)=N)C(C)NC(=O)C1C=CC(=CC=1)C1C=C(C=CC=1)C[NH3+],9.05,1ezq_protein.pt,1ezq_pocket.pt,1ezq_ligand.pt
1sv3,COC1C=CC(=CC=1)C(=O)[O-],4.35,1sv3_protein.pt,1sv3_pocket.pt,1sv3_ligand.pt
5nw0,CC(=O)NC1(CC1)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCC1C=CC(=CC=1)C1SC=NC=1C)C(C)(C)C,6.52,5nw0_protein.pt,5nw0_pocket.pt,5nw0_ligand.pt
2ot1,O=C(NC1C=CC(Cl)=CC=1)C1=CC2=CC=CC=C2C=C1OP(=O)(=O)=O,4.0,2ot1_protein.pt,2ot1_pocket.pt,2ot1_ligand.pt
4q09,NS(=O)(=O)C1C(F)=C(F)C(=C(NC2CCCCCCC2)C=1F)S(=O)(=O)CCO,8.17,4q09_protein.pt,4q09_pocket.pt,4q09_ligand.pt
3ehy,COC1C=CC(=CC=1)S(=O)(=O)NC(C)C(=O)[O-],5.85,3ehy_protein.pt,3ehy_pocket.pt,3ehy_ligand.pt
3dcc,NS(=O)(=O)C1=NN=C(S1)C1=CC=CC=C1Cl,8.96,3dcc_protein.pt,3dcc_pocket.pt,3dcc_ligand.pt
4jia,COC1C=CC(=CC=1)C1=CC=CC2NC(=N[N+]=21)NC1C=CC(=CC=1)N1CC[NH+](C)CC1,9.22,4jia_protein.pt,4jia_pocket.pt,4jia_ligand.pt
1rd4,CCOC1C=CC=CC=1SC1C=CC(=CC=1[N+](=O)[O-])C1=CC=NC(=C1)N1CCN(CC1)C(C)=O,7.74,1rd4_protein.pt,1rd4_pocket.pt,1rd4_ligand.pt
3kr4,CC(C)CC(NC(=O)C(O)C([NH3+])CC1C=CC=CC=1)C(=O)[O-],7.6,3kr4_protein.pt,3kr4_pocket.pt,3kr4_ligand.pt
5dq8,O=C([O-])C1=CC=CC=C1NC1C=CC=C(C=1)C(F)(F)F,4.14,5dq8_protein.pt,5dq8_pocket.pt,5dq8_ligand.pt
4e5w,CC(C)[NH+]1CCCC1C(=O)N1CCC(CC1)N1C=NC2C=NC3NC=CC=3C=21,7.66,4e5w_protein.pt,4e5w_pocket.pt,4e5w_ligand.pt
4oiv,CN(C)C1C=C(Cl)C(C(=O)N(CC2C=CC=CC=2)C2C=CC(O)=C(C=2)C(C)(C)C)=C(Cl)C=1,5.08,4oiv_protein.pt,4oiv_pocket.pt,4oiv_ligand.pt
4ko8,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)S)C(O)C1O,7.15,4ko8_protein.pt,4ko8_pocket.pt,4ko8_ligand.pt
1hvi,CC(C)C(NC(=O)N(C)CC1=CC=CC=N1)C(=O)NC(CC1C=CC=CC=1)C(O)C(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)N(C)CC1=CC=CC=N1)C(C)C,10.92,1hvi_protein.pt,1hvi_pocket.pt,1hvi_ligand.pt
3wtm,O=[N+]([O-])C=C1NCCN1CC1C=CC(Cl)=NC=1,7.0,3wtm_protein.pt,3wtm_pocket.pt,3wtm_ligand.pt
1z6s,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,4.34,1z6s_protein.pt,1z6s_pocket.pt,1z6s_ligand.pt
1yds,C[NH2+]CCNS(=O)(=O)C1C=CC=C2C=NC=CC=12,5.92,1yds_protein.pt,1yds_pocket.pt,1yds_ligand.pt
5ovr,O=P(=O)(=O)C(O)C1C=CC(=CC=1)C1C=CC=C(C=1)C(O)C1C=C(Cl)C(Cl)=CC=1,4.57,5ovr_protein.pt,5ovr_pocket.pt,5ovr_ligand.pt
6gnr,CC1C(Cl)=CC=CC=1NC1=NC=CC=C1C(=O)[O-],5.44,6gnr_protein.pt,6gnr_pocket.pt,6gnr_ligand.pt
6fs1,CC1=CC(CSCC2=NN(C)C(C)=C2C2=CC=CC3C(CCCOC4=CC=CC5C=CC=CC=54)=C(NC=32)C(=O)[O-])=NN1C,7.01,6fs1_protein.pt,6fs1_pocket.pt,6fs1_ligand.pt
1lbk,[NH3+]C(CCC(=O)NC(CS)C(=O)NCC(=O)[O-])C(=O)[O-],3.18,1lbk_protein.pt,1lbk_pocket.pt,1lbk_ligand.pt
2x8z,CC(CS)C(=O)N1CCCC1C(=O)[O-],7.96,2x8z_protein.pt,2x8z_pocket.pt,2x8z_ligand.pt
1o5e,N=[C+](=N)C1C=C2C=C(NC2=CC=1Cl)C1=CC=CC(C2C=CC=CC=2)=C1O,5.74,1o5e_protein.pt,1o5e_pocket.pt,1o5e_ligand.pt
3f3d,CSCCC([NH3+])C(=O)[O-],7.16,3f3d_protein.pt,3f3d_pocket.pt,3f3d_ligand.pt
1zoh,CN1CCN2C1=NC1=C(Br)C(Br)=C(Br)C(Br)=C12,7.0,1zoh_protein.pt,1zoh_pocket.pt,1zoh_ligand.pt
2cbu,OC1C[NH+]2CCC(O)C2C(O)C1O,5.68,2cbu_protein.pt,2cbu_pocket.pt,2cbu_ligand.pt
2we3,O=C1C=CN(C(=O)N1)C1CC(O)C(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)O1,4.43,2we3_protein.pt,2we3_pocket.pt,2we3_ligand.pt
4k7o,CC(C)(C)C1C=CC(O)=C(O)C=1,4.3,4k7o_protein.pt,4k7o_pocket.pt,4k7o_ligand.pt
2jh5,CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)C=CC2=CC=C(Cl)S2)C1=O,6.44,2jh5_protein.pt,2jh5_pocket.pt,2jh5_ligand.pt
4m14,CC(C)OC1C=CC2C=CC=C(C=2C=1)N1C=C(NC(N)=O)C(=N1)C(N)=O,6.7,4m14_protein.pt,4m14_pocket.pt,4m14_ligand.pt
2r43,NC1C=CC(=CC=1)S(=O)(=O)N(CC1C=CC=CC=1)C1C[NH2+]CC1N(CC1C=CC=CC=1)S(=O)(=O)C1C=CC(N)=CC=1,6.0,2r43_protein.pt,2r43_pocket.pt,2r43_ligand.pt
4nue,CC1C(=O)C(C)C=C(N=NC2C=CC(=CC=2)S(=O)(=O)NC2=CC=CC=N2)C=1N,6.82,4nue_protein.pt,4nue_pocket.pt,4nue_ligand.pt
5am7,C[NH+]1CCN(CC1)C1C=C2NC(=NC2=CC=1)C1C(=O)NC2=CC=CC(F)=C2C=1N,7.19,5am7_protein.pt,5am7_pocket.pt,5am7_ligand.pt
5sz0,NS(=O)(=O)C1C=CC(=CC=1)C1C=CC=CC=1,9.1,5sz0_protein.pt,5sz0_pocket.pt,5sz0_ligand.pt
2oxn,CC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,7.44,2oxn_protein.pt,2oxn_pocket.pt,2oxn_ligand.pt
5zkc,C[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,8.19,5zkc_protein.pt,5zkc_pocket.pt,5zkc_ligand.pt
4isi,CCC1(CC)CC(C(=O)NCC2C=CC(=CC=2)[C+](=N)=N)N2C(=O)C(=NC(Cl)=C21)NC1CCC1,8.14,4isi_protein.pt,4isi_pocket.pt,4isi_ligand.pt
4a4v,CCCCCC1C=C(OC)C(CC=C(C)C)=C(O)C=1C(=O)[O-],6.54,4a4v_protein.pt,4a4v_pocket.pt,4a4v_ligand.pt
3djq,O=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,2.98,3djq_protein.pt,3djq_pocket.pt,3djq_ligand.pt
1upf,O=C1NC=C(F)C(=O)N1,4.6,1upf_protein.pt,1upf_pocket.pt,1upf_ligand.pt
4i71,NC1=NC=NC2C(=CNC=21)C[NH+]1CC(O)C(O)C1CO,7.74,4i71_protein.pt,4i71_pocket.pt,4i71_ligand.pt
5qal,NC(=O)C1C=CC(=CC=1)C1C=CC=C(C=1)C(=O)[O-],3.46,5qal_protein.pt,5qal_pocket.pt,5qal_ligand.pt
1tjp,O=P(=O)(=O)OCC(O)C(O)NC1C=CC=CC=1O,4.42,1tjp_protein.pt,1tjp_pocket.pt,1tjp_ligand.pt
3b25,CC1C=CC(=CC=1)S(=O)(=O)C1C=C(C)N=C(N)N=1,6.07,3b25_protein.pt,3b25_pocket.pt,3b25_ligand.pt
1nhz,CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC21C)C1C=CC(=CC=1)N(C)C,6.08,1nhz_protein.pt,1nhz_pocket.pt,1nhz_ligand.pt
4heg,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OC3OCCC3C12,8.92,4heg_protein.pt,4heg_pocket.pt,4heg_ligand.pt
2o8h,COC1=CC2=NC=NC(=C2C=C1OC)N1CCC2C=CC=C(C=2C1)S(=O)(=O)N1CC[NH+](C)CC1,7.6,2o8h_protein.pt,2o8h_pocket.pt,2o8h_ligand.pt
2v25,[NH3+]C(CC(=O)[O-])C(=O)[O-],5.72,2v25_protein.pt,2v25_pocket.pt,2v25_ligand.pt
4m3p,[NH3+]C(CCS)C(=O)[O-],5.4,4m3p_protein.pt,4m3p_pocket.pt,4m3p_ligand.pt
1o2n,N=[C+](=N)C1C=C2N=C(NC2=CC=1Cl)C1=CC=CC(C2C=CC=CC=2)=C1O,6.09,1o2n_protein.pt,1o2n_pocket.pt,1o2n_ligand.pt
4bt5,CC(O)C(C)(O)C(=O)[O-],2.76,4bt5_protein.pt,4bt5_pocket.pt,4bt5_ligand.pt
5u13,COC1C=CC(=CC=1)C(=O)CSC1=NC2N[C+](=N)NC(=O)C=2N1,5.41,5u13_protein.pt,5u13_pocket.pt,5u13_ligand.pt
3o4k,CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC)COC1OC(CO)C(O)C(OC2OC(C)C([NH3+])C(O)C2NC(C)=O)C1O,7.62,3o4k_protein.pt,3o4k_pocket.pt,3o4k_ligand.pt
3t0b,CC(C)SC1OC(CO)C(O)C(O)C1O,4.3,3t0b_protein.pt,3t0b_pocket.pt,3t0b_ligand.pt
4avh,CCCSCCCOC1OC(CO)C(O)C(O)C1O,7.23,4avh_protein.pt,4avh_pocket.pt,4avh_ligand.pt
1fzq,NC1=NC2=C(N=CN2C2OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C2O)C(=O)N1,7.62,1fzq_protein.pt,1fzq_pocket.pt,1fzq_ligand.pt
3i7e,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12,10.85,3i7e_protein.pt,3i7e_pocket.pt,3i7e_ligand.pt
2hb3,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CC2CCOC2C1)S(=O)(=O)C1C=CC(=CC=1)CO,11.35,2hb3_protein.pt,2hb3_pocket.pt,2hb3_ligand.pt
4nbk,CC1C=CC=NC=1NCC1=CC=CC=C1O,3.87,4nbk_protein.pt,4nbk_pocket.pt,4nbk_ligand.pt
4qyy,CC(=O)C1C=CC(=CC=1)N1CCN(CC1)C(=O)C[NH+]1CCC(C1)C(=O)NC1C=CC(O)=C(Cl)C=1,7.3,4qyy_protein.pt,4qyy_pocket.pt,4qyy_ligand.pt
5ji8,NC(=O)C1C=CC2N=C(N)SC=2C=1,4.63,5ji8_protein.pt,5ji8_pocket.pt,5ji8_ligand.pt
3cyx,CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C(CC1C=CC=CC=1)NC(=O)C(CC(N)=O)NC(=O)C1C=CC2C=CC=CC=2N=1,8.0,3cyx_protein.pt,3cyx_pocket.pt,3cyx_ligand.pt
6d2o,CC1=CN=CN1,5.3,6d2o_protein.pt,6d2o_pocket.pt,6d2o_ligand.pt
5evz,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.57,5evz_protein.pt,5evz_pocket.pt,5evz_ligand.pt
1i37,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,9.57,1i37_protein.pt,1i37_pocket.pt,1i37_ligand.pt
1w4o,O=C1C=CN(C(=O)N1)C1OC(CO)C(OP(=O)(=O)=O)C1O,5.22,1w4o_protein.pt,1w4o_pocket.pt,1w4o_ligand.pt
4rn4,NS(=O)(=O)C1=NN=C(S1)N(CC1=CN(N=N1)C1C=CC=CC=1)CC1=CN(N=N1)C1OC(CO)C(O)C(O)C1O,6.94,4rn4_protein.pt,4rn4_pocket.pt,4rn4_ligand.pt
4yk0,CC1CC(=O)NC2=CC=CC=C2N1,3.74,4yk0_protein.pt,4yk0_pocket.pt,4yk0_ligand.pt
3fee,[NH3+]C(CN1OC(=O)NC1=O)C(=O)[O-],6.64,3fee_protein.pt,3fee_pocket.pt,3fee_ligand.pt
2pvj,N#CC1C=NN2C(=NC(=NC=12)NCC1CCCCC1)NC1C=CC=CC=1,8.1,2pvj_protein.pt,2pvj_pocket.pt,2pvj_ligand.pt
5hi7,C[NH+](C)CCC[NH+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,7.85,5hi7_protein.pt,5hi7_pocket.pt,5hi7_ligand.pt
1f4f,O=C([O-])CCC(NC(=O)C1C=CC(=CC=1)S(=O)(=O)N1CCCC1C(=O)[O-])C(=O)[O-],4.62,1f4f_protein.pt,1f4f_pocket.pt,1f4f_ligand.pt
2fxv,NC1=NC2=C(N=CN2C2OC(COP(=O)(=O)=O)C(O)C2O)C(=O)N1,5.35,2fxv_protein.pt,2fxv_pocket.pt,2fxv_ligand.pt
3s75,NS(=O)(=O)C1=CC=CO1,6.82,3s75_protein.pt,3s75_pocket.pt,3s75_ligand.pt
3ebo,O=C1C=C(OC2=CC(O)=CC(O)=C12)C1C=CC=CC=1,4.72,3ebo_protein.pt,3ebo_pocket.pt,3ebo_ligand.pt
5llg,CCCSC1C=CC(=CC=1)S(N)(=O)=O,11.13,5llg_protein.pt,5llg_pocket.pt,5llg_ligand.pt
5oh7,O=C1CNC(=O)N1,4.37,5oh7_protein.pt,5oh7_pocket.pt,5oh7_ligand.pt
3d52,O=C(NC1C=CC(Cl)=CC=1)ON=C1NC(CO)C(O)C(O)C1O,3.28,3d52_protein.pt,3d52_pocket.pt,3d52_ligand.pt
5j2x,O=C1NN=C(C2C=C(Br)C(O)=CC=2O)N1C1C=CC=CC=1F,7.74,5j2x_protein.pt,5j2x_pocket.pt,5j2x_ligand.pt
4euo,[NH3+]CCCC(=O)[O-],5.05,4euo_protein.pt,4euo_pocket.pt,4euo_ligand.pt
4nvp,NC1=NC=NC2=C1C=CN2C1OC2CO[P](=O)(=O)OC2C1O,7.57,4nvp_protein.pt,4nvp_pocket.pt,4nvp_ligand.pt
3zsx,C=CC[NH+](CC1=CC=CC=C1C(=O)NCC1C=CC=CC=1)CC1C=CC2OCOC=2C=1C(=O)[O-],3.28,3zsx_protein.pt,3zsx_pocket.pt,3zsx_ligand.pt
3iod,NC1N=CN=C2C=1N=CN2C1OC(CSSCC2C=CC=C(C=2)[N+](=O)[O-])C(O)C1O,4.1,3iod_protein.pt,3iod_pocket.pt,3iod_ligand.pt
5cs3,O=S(=O)([O-])CCC[NH+]1CC[NH+](CCO)CC1,2.15,5cs3_protein.pt,5cs3_pocket.pt,5cs3_ligand.pt
3zqe,CC(CCC(=O)[O-])C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,4.23,3zqe_protein.pt,3zqe_pocket.pt,3zqe_ligand.pt
4qtl,NS(=O)(=O)C1C(F)=C(F)C(=C(NCC2C=CC=CC=2)C=1F)S(=O)(=O)CCO,6.92,4qtl_protein.pt,4qtl_pocket.pt,4qtl_ligand.pt
3ml2,COC1C=CC2C(=CC(=O)OC=2C=1)CC(=O)NC1C=CC(=CC=1)S(N)(=O)=O,8.05,3ml2_protein.pt,3ml2_pocket.pt,3ml2_ligand.pt
4qjw,NS(=O)(=O)C1C(F)=C(F)C(=C(NCC2C=CC=CC=2)C=1F)S(=O)(=O)CCO,7.8,4qjw_protein.pt,4qjw_pocket.pt,4qjw_ligand.pt
4nwc,COC(=O)CCC(CC([NH3+])C(=O)[O-])C(=O)[O-],5.76,4nwc_protein.pt,4nwc_pocket.pt,4nwc_ligand.pt
2i6b,CN(C)C1C=CC(=CC=1)C1C(N)=NC=NC=1C#CC1C=NC(=CC=1)N1CCOCC1,7.17,2i6b_protein.pt,2i6b_pocket.pt,2i6b_ligand.pt
2y80,C[NH+](C)C1CCC2C=C(C=CC=21)N1CCC(NS(=O)(=O)C2C=CC3C=C(Cl)C=CC=3C=2)C1=O,8.05,2y80_protein.pt,2y80_pocket.pt,2y80_ligand.pt
2zym,OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC1C(O)C2O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O,6.14,2zym_protein.pt,2zym_pocket.pt,2zym_ligand.pt
4r4t,O=C([O-])C1=CC=C(O1)C1C=CC(=CC=1)C(=S)NCC1C=CC(=CC=1)C1=CC(=NN1C1C=CC(Cl)=C(Cl)C=1)C(=O)[O-],6.26,4r4t_protein.pt,4r4t_pocket.pt,4r4t_ligand.pt
1hi4,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,4.49,1hi4_protein.pt,1hi4_pocket.pt,1hi4_ligand.pt
3v78,CCN1C2C=C(N)C=CC=2C2=CC=C(N)C=C2C1C1C=CC=CC=1,5.54,3v78_protein.pt,3v78_pocket.pt,3v78_ligand.pt
4nkt,O=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)N[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.97,4nkt_protein.pt,4nkt_pocket.pt,4nkt_ligand.pt
4ax9,NC(=[NH2+])N1CCCC(CNC(=O)CC(NS(=O)(=O)C2C=CC3C=CC=CC=3C=2)C(=O)N(CC(=O)[O-])C2CC2)C1,9.57,4ax9_protein.pt,4ax9_pocket.pt,4ax9_ligand.pt
6bdy,NC1=NC=NC2=C1N=CN2C1OC(CC([NH3+])CCC([NH3+])C(=O)[O-])C(O)C1O,5.69,6bdy_protein.pt,6bdy_pocket.pt,6bdy_ligand.pt
5hu9,CC1C=CC(=CC=1OC1CCN(CC1)C(=O)C1C=NC=CC=1)NC(=O)C1C=CC(C[NH+]2CC[NH+](C)CC2)=C(C=1)C(F)(F)F,7.62,5hu9_protein.pt,5hu9_pocket.pt,5hu9_ligand.pt
3bbf,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.28,3bbf_protein.pt,3bbf_pocket.pt,3bbf_ligand.pt
2vc9,CC(=O)NC1C[NH2+]C(CO)C(O)C1O,8.44,2vc9_protein.pt,2vc9_pocket.pt,2vc9_ligand.pt
1n1m,CC(C)C([NH3+])C(=O)N1CCCC1,5.7,1n1m_protein.pt,1n1m_pocket.pt,1n1m_ligand.pt
1om1,O=C([O-])CC1C2C=CC=CC=2N2C3C=CC=CC=3C(=O)NC=12,6.77,1om1_protein.pt,1om1_pocket.pt,1om1_ligand.pt
6hh5,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2CC(O)C[NH2+]2)C(O)C1O,4.27,6hh5_protein.pt,6hh5_pocket.pt,6hh5_ligand.pt
1ndz,CN1C(CCC(=O)NC2C=CC3C=CN(CCC(CO)N4C=NC(=C4)C(N)=O)C=3C=2)=NC2C=CC=CC=21,8.11,1ndz_protein.pt,1ndz_pocket.pt,1ndz_ligand.pt
1erb,CCNC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,8.1,1erb_protein.pt,1erb_pocket.pt,1erb_ligand.pt
1msm,CC1=CC=CC=C1CNC(=O)C1N(CSC1(C)C)C(=O)C(O)C(CC1C=CC=CC=1)NC(=O)C1=CC=CC(O)=C1C,10.48,1msm_protein.pt,1msm_pocket.pt,1msm_ligand.pt
1sr7,CC1CC2C3CCC4=CC(=O)CCC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)C1=CC=CO1)C(=O)CCl,10.1,1sr7_protein.pt,1sr7_pocket.pt,1sr7_ligand.pt
4z83,O=C1NC=NC2C=C(C=CC=21)C1C[NH2+]CC1C(=O)C1=CC=C(Br)S1,7.4,4z83_protein.pt,4z83_pocket.pt,4z83_ligand.pt
4r59,NS(=O)(=O)OC1CCN(CC1)S(=O)(=O)C1OC(CO)C(O)C(O)C1O,7.96,4r59_protein.pt,4r59_pocket.pt,4r59_ligand.pt
3pyy,O=C1NC(=O)C(N1)C1=CN(N=C1C1C=CC(F)=CC=1)C1C=CC=CC=1,6.86,3pyy_protein.pt,3pyy_pocket.pt,3pyy_ligand.pt
4tmk,CC1=CN(C(=O)NC1=O)C1CC(O)C(CO[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2O)N2C=NC3C2=NC=NC=3N)O1,7.7,4tmk_protein.pt,4tmk_pocket.pt,4tmk_ligand.pt
4std,CC(NC(=O)C1C=C(F)C=CC=1O)C1C=CC(Br)=CC=1,10.33,4std_protein.pt,4std_pocket.pt,4std_ligand.pt
6ebe,NS(=O)(=O)C1C=C(C(O)=C(C=1)NC(=O)NC1C=CC(=CC=1)C(F)(F)F)[N+](=O)[O-],6.7,6ebe_protein.pt,6ebe_pocket.pt,6ebe_ligand.pt
2nnd,COC1=NC=CN=C1CC(C)C,6.06,2nnd_protein.pt,2nnd_pocket.pt,2nnd_ligand.pt
5duw,O=S(=O)([O-])OC1C(O)C(CO)OC(OC2C(CO)OC(O)C(O)C2O)C1O,3.29,5duw_protein.pt,5duw_pocket.pt,5duw_ligand.pt
1y3v,N=[C+](=N)C1C=CC(=CC=1)C1C2C(=O)N(CC3C=CC4OCOC=4C=3)C(C3CC3)C2C2CCC[NH+]21,5.64,1y3v_protein.pt,1y3v_pocket.pt,1y3v_ligand.pt
5i3a,OC1C=CC(O)=CC=1,5.05,5i3a_protein.pt,5i3a_pocket.pt,5i3a_ligand.pt
4h85,CC(C)CC(Cl)C(=O)[O-],5.15,4h85_protein.pt,4h85_pocket.pt,4h85_ligand.pt
5z99,CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)CO)C(=O)[O-],6.88,5z99_protein.pt,5z99_pocket.pt,5z99_ligand.pt
2za0,COC(=O)C1C(C)=CC(=CC=1O)OC1=CC(C)=CC(O)=C1O,6.64,2za0_protein.pt,2za0_pocket.pt,2za0_ligand.pt
1g2l,CCOC(=O)CON=C(C1=CC=CC=N1)C1(CC1)C1C=CC2=C(C=1)N=C(CNC1C=CC(=CC=1)[C+](=N)=N)N2C,7.24,1g2l_protein.pt,1g2l_pocket.pt,1g2l_ligand.pt
2qtg,CSCC1OC(C(O)C1O)N1C=CC2C(N)=NC=NC=21,5.08,2qtg_protein.pt,2qtg_pocket.pt,2qtg_ligand.pt
4cwp,NC1=N[N+]2C(CC3=CC=C4OCOC4=C3)=NC3C=CC=CC=3C=2N1,6.77,4cwp_protein.pt,4cwp_pocket.pt,4cwp_ligand.pt
5flt,O=C([O-])C1C=C(C=CC=1)OC1C=CC=CC=1,2.89,5flt_protein.pt,5flt_pocket.pt,5flt_ligand.pt
5ljq,NS(=O)(=O)C1C=CC(=CC=1)N1C=C(COC2C=CC=CC=2)N=N1,9.0,5ljq_protein.pt,5ljq_pocket.pt,5ljq_ligand.pt
5i7y,CC=CCN1C=C(C2C=C(C=CC=2)C(=O)N(C)C)C2C=CNC=2C1=O,7.28,5i7y_protein.pt,5i7y_pocket.pt,5i7y_ligand.pt
2xd9,CC=CC1=CC2=C(S1)C(O)C(O)CC2(O)C(=O)[O-],6.46,2xd9_protein.pt,2xd9_pocket.pt,2xd9_ligand.pt
1a4r,NC1=NC2=C(N=CN2C2OC(CO[P](=O)(=O)O[P](N)(=O)=O)C(O)C2O)C(=O)N1,6.66,1a4r_protein.pt,1a4r_pocket.pt,1a4r_ligand.pt
5ufr,CN(C)C1=NC2C=CC(=CC=2C(Cl)=C1C1C=CC=CC=1)C(O)(C1C=CN=CC=1)C1=CN=CN1C,8.7,5ufr_protein.pt,5ufr_pocket.pt,5ufr_ligand.pt
4xtw,[N-]=[N+]=NC1C(O)C(CNS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)OC1N1C=NC2C1=NC=NC=2N,9.03,4xtw_protein.pt,4xtw_pocket.pt,4xtw_ligand.pt
2pwd,OCC1[NH2+]CC(O)C(O)C1O,4.4,2pwd_protein.pt,2pwd_pocket.pt,2pwd_ligand.pt
4bs0,O=[N+]([O-])C1C=C2NN=NC2=CC=1,5.7,4bs0_protein.pt,4bs0_pocket.pt,4bs0_ligand.pt
2zdl,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)C1CCCN1C(=O)COC1CCCC1,6.4,2zdl_protein.pt,2zdl_pocket.pt,2zdl_ligand.pt
4bcs,O=C([O-])CCCCC1SCC2NC(=O)NC21,6.99,4bcs_protein.pt,4bcs_pocket.pt,4bcs_ligand.pt
4de2,C[NH+](C)CC1C=CC=C(C=1)C(=O)NC1C=CC=C(C=1)C1N=NNN=1,4.12,4de2_protein.pt,4de2_pocket.pt,4de2_ligand.pt
6htg,O=C(NO)C1C=CC(Cl)=C(C=1)NC(=O)C1C=CC=CC=1,7.17,6htg_protein.pt,6htg_pocket.pt,6htg_ligand.pt
6glb,N#CCCC1=CC=C(O1)C1=NC2=CN=C3NC=CC3=C2N1C1CCCCC1,6.89,6glb_protein.pt,6glb_pocket.pt,6glb_ligand.pt
4k3h,CN(C)C1C=CC(=CC=1)C(C1C=CC(O)=CC=1)C1C=CC(=CC=1)N(C)C,6.85,4k3h_protein.pt,4k3h_pocket.pt,4k3h_ligand.pt
2q2a,NC(=[NH2+])NCCCC([NH3+])C(=O)[O-],7.41,2q2a_protein.pt,2q2a_pocket.pt,2q2a_ligand.pt
1kyv,CC1=CC2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)C=2C=C1C,5.92,1kyv_protein.pt,1kyv_pocket.pt,1kyv_ligand.pt
5jxq,N=[C+]1NC(=O)C2=CC3NC(=NC=3C=C2N1)NCCC1C=CC(=CC=1)CCO,8.15,5jxq_protein.pt,5jxq_pocket.pt,5jxq_ligand.pt
5mro,O=C1C(CC2C=CC=CC=2)C(Cl)=NC2=NC=NN12,5.7,5mro_protein.pt,5mro_pocket.pt,5mro_ligand.pt
4z84,O=C1NC=NC2=CC(=CC=C12)C1C[NH2+]CC1C(=O)C1C=CC=C(Cl)C=1,5.82,4z84_protein.pt,4z84_pocket.pt,4z84_ligand.pt
3ug2,COC1C=C2N=CN=C(NC3C=CC(F)=C(Cl)C=3)C2=CC=1OCCC[NH+]1CCOCC1,8.25,3ug2_protein.pt,3ug2_pocket.pt,3ug2_ligand.pt
6gue,CC1=NC=C(C2=CC=NC(=N2)NC2C=CC(=CC=2)S(C)(=O)=O)N1C(C)C,8.4,6gue_protein.pt,6gue_pocket.pt,6gue_ligand.pt
2c80,CCCCCCSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-],5.33,2c80_protein.pt,2c80_pocket.pt,2c80_ligand.pt
2rfh,O=C([O-])C(CC1C=CC=CC=1)C[N+](=O)[O-],6.82,2rfh_protein.pt,2rfh_pocket.pt,2rfh_ligand.pt
2xii,CC1[NH2+]C(CNC(=O)C2=CC=CC3C4C=CC=CC=4C(=O)C=32)C(O)C(O)C1O,7.2,2xii_protein.pt,2xii_pocket.pt,2xii_ligand.pt
6gzm,CN1N=CC(C2=NC(=NC=C2F)NC2CCC([NH3+])CC2)=C1CC1CC1,8.26,6gzm_protein.pt,6gzm_pocket.pt,6gzm_ligand.pt
4kzq,O=C1C=C(OC2=CC=CC=C12)C1C=CC(O)=CC=1,6.1,4kzq_protein.pt,4kzq_pocket.pt,4kzq_ligand.pt
5e2s,CC(C)C1=CC=CC=C1C1C=CC(=CC=1)S(N)(=O)=O,9.01,5e2s_protein.pt,5e2s_pocket.pt,5e2s_ligand.pt
4hym,CCC1NC2=NC(=NC(=C2C=1Cl)N1CCC([NH3+])C1)SC1C=NC2N=CC(=O)NC=2C=1,8.22,4hym_protein.pt,4hym_pocket.pt,4hym_ligand.pt
3bgc,NC1C=CC(=CC=1)S(=O)(=O)N(CC[NH2+]CCN(CC1C=CC=CC=1)S(=O)(=O)C1C=CC(N)=CC=1)CC1C=CC=CC=1,5.02,3bgc_protein.pt,3bgc_pocket.pt,3bgc_ligand.pt
1gfy,O=C([O-])C(=O)NC1SC2CSCCC=2C=1C(=O)[O-],5.08,1gfy_protein.pt,1gfy_pocket.pt,1gfy_ligand.pt
2xye,CNC(=O)C(NC(=O)C(O)(CCC[NH+](CC1C=CC(=CC=1)C1C=CC=CC=1)NC(=O)C(NC(=O)OC)C(C)(C)C)CC1C=CC=CC=1)C(C)(C)C,8.34,2xye_protein.pt,2xye_pocket.pt,2xye_ligand.pt
1qk4,O=C1NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,4.21,1qk4_protein.pt,1qk4_pocket.pt,1qk4_ligand.pt
5v0n,CCC1=CN2CC(C)(C)S(=O)(=O)N(C)C3=CC(=CC1=C32)C(=O)NC(CC1C=CC=CC=1)C(O)C1[NH2+]CCN(CC2C=CC=CC=2)C1=O,7.17,5v0n_protein.pt,5v0n_pocket.pt,5v0n_ligand.pt
4ufl,OCC1C2CCC([NH2+]2)C(O)C1O,2.64,4ufl_protein.pt,4ufl_pocket.pt,4ufl_ligand.pt
2on6,O=C1NC=NC2C(=CNC=21)C1[NH2+]C(CO)C(O)C1O,6.76,2on6_protein.pt,2on6_pocket.pt,2on6_ligand.pt
4ly1,CC(=O)NC1C=CC(=CC=1)C(=O)NC1=CC(=CC=C1N)C1=CC=CS1,7.26,4ly1_protein.pt,4ly1_pocket.pt,4ly1_ligand.pt
4do4,CC(=O)NC1C[NH2+]C(CO)C(O)C1O,7.29,4do4_protein.pt,4do4_pocket.pt,4do4_ligand.pt
3fhb,NC1=CC=CC(=C1)C(=O)[O-],5.7,3fhb_protein.pt,3fhb_pocket.pt,3fhb_ligand.pt
4rd3,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.47,4rd3_protein.pt,4rd3_pocket.pt,4rd3_ligand.pt
3s5y,OCC1[NH2+]CC(O)C(O)C1O,7.41,3s5y_protein.pt,3s5y_pocket.pt,3s5y_ligand.pt
5oqu,COC1=CC=CC=C1C1=CC=C(C=C1Cl)C[NH3+],3.61,5oqu_protein.pt,5oqu_pocket.pt,5oqu_ligand.pt
4egk,CC1CC2OC2C=CC=CC(=O)CC2C(Cl)=C(O)C=C(O)C=2C(=O)O1,7.72,4egk_protein.pt,4egk_pocket.pt,4egk_ligand.pt
1gno,CC(=O)NC(CC1CCCCC1)C(O)CC(C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=[NH2+])C(N)=O)C(C)C,7.7,1gno_protein.pt,1gno_pocket.pt,1gno_ligand.pt
5o5a,CCN1C(=O)C(=O)NC2C=C(C=CC=21)C(=O)N(C)CC1C=NN(C=1)C1C=CC=CC=1,4.77,5o5a_protein.pt,5o5a_pocket.pt,5o5a_ligand.pt
2z94,CC1=CC=C(S)C(S)=C1,5.85,2z94_protein.pt,2z94_pocket.pt,2z94_ligand.pt
1jvu,N=C1C=CN(C(=O)N1)C1OC(CO)C(O)C1OP(=O)(=O)=O,5.15,1jvu_protein.pt,1jvu_pocket.pt,1jvu_ligand.pt
5o1f,CCCCOC1=CC(C(=O)[O-])=C(O)C(I)=C1N1C=CC=C1,4.52,5o1f_protein.pt,5o1f_pocket.pt,5o1f_ligand.pt
2y7i,NC(=[NH2+])NCCCC([NH3+])C(=O)[O-],5.54,2y7i_protein.pt,2y7i_pocket.pt,2y7i_ligand.pt
2qi4,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)C1C=CC=C(O)C=1)S(=O)(=O)C1C=C2SC=NC2=CC=1,10.44,2qi4_protein.pt,2qi4_pocket.pt,2qi4_ligand.pt
1o1s,CC(=CCO[P](=O)(=O)OP(=O)(=O)=O)CCC=C(C)COCC1=CC=CC(=C1)C(=O)C1C=CC=CC=1,7.31,1o1s_protein.pt,1o1s_pocket.pt,1o1s_ligand.pt
6css,O=C(NO)C1=CCCC1,7.6,6css_protein.pt,6css_pocket.pt,6css_ligand.pt
4hfp,CC1CNC2C(=CC=CC=2C1)S(=O)(=O)NC(CCCNC(N)=[NH2+])C(=O)N1CCC(C)CC1C(=O)[O-],7.38,4hfp_protein.pt,4hfp_pocket.pt,4hfp_ligand.pt
4de1,O=C(NC1C=CC=C(C=1)C1=NN=NN1)C1C=CC2=NNC=C2C=1,5.96,4de1_protein.pt,4de1_pocket.pt,4de1_ligand.pt
4jss,ON1CC=CCC1=S,3.3,4jss_protein.pt,4jss_pocket.pt,4jss_ligand.pt
1m83,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,3.4,1m83_protein.pt,1m83_pocket.pt,1m83_ligand.pt
4elf,COC1=CC(=CC(C=CC(=O)N2[NH2+]CC3=CC=CC=C3C2CCC(F)(F)F)=C1OC)CC1=CN=C(N)N=C1N,8.03,4elf_protein.pt,4elf_pocket.pt,4elf_ligand.pt
2r5a,C[NH2+]CCCCC([NH3+])C(=O)[O-],2.6,2r5a_protein.pt,2r5a_pocket.pt,2r5a_ligand.pt
4az5,CC1[NH2+]C2C(OC(CO)C(O)C2O)S1,5.99,4az5_protein.pt,4az5_pocket.pt,4az5_ligand.pt
2bz6,CCOC1=CC(OC2CCOC2)=C(F)C(=C1)C(NC1C=CC(=CC=1)C(N)=[NH2+])C(=O)[O-],7.09,2bz6_protein.pt,2bz6_pocket.pt,2bz6_ligand.pt
3bu1,[NH3+]CCC1=CN=CN1,8.15,3bu1_protein.pt,3bu1_pocket.pt,3bu1_ligand.pt
4g0z,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(COP(=O)(=O)=O)C(O)C1O,2.21,4g0z_protein.pt,4g0z_pocket.pt,4g0z_ligand.pt
3m40,NS(=O)(=O)C1C=CC(=CC=1)NC1=NC=NC(Cl)=C1[N+](=O)[O-],6.77,3m40_protein.pt,3m40_pocket.pt,3m40_ligand.pt
4w9p,COC1=CC=C(C=C1OC)OCCN1CC(C(O)CO)C2CCCC(C1=O)N2S(=O)(=O)C1C=C(Cl)C=C(Cl)C=1,7.8,4w9p_protein.pt,4w9p_pocket.pt,4w9p_ligand.pt
3b5r,CC(O)(COC1=CC=C(Cl)C(F)=C1)C(=O)NC1C=CC(C#N)=C(C=1)C(F)(F)F,8.77,3b5r_protein.pt,3b5r_pocket.pt,3b5r_ligand.pt
3i6o,COC1C=CC2=C(C=1)OCCC=CCCCCN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC3OCCC13)S2(=O)=O,10.35,3i6o_protein.pt,3i6o_pocket.pt,3i6o_ligand.pt
5jss,CC(C)CC(N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1)C(=O)NCC(C)C(C)(C)C,6.45,5jss_protein.pt,5jss_pocket.pt,5jss_ligand.pt
5za7,NC(=[NH2+])NC(=O)C1=NC(Cl)=C(N=C1N)N1CCCCCC1,5.87,5za7_protein.pt,5za7_pocket.pt,5za7_ligand.pt
6eed,O=C(CC1CCCCC1)NC(C(=O)NO)C1C=CC(=CC=1)C1C=C(F)C(F)=C(F)C=1,6.09,6eed_protein.pt,6eed_pocket.pt,6eed_ligand.pt
3up2,O=C([O-])C1C=CC(=CC=1)NC1N=CC=C(N=1)NC1=CC=CC=C1OC(F)(F)F,7.4,3up2_protein.pt,3up2_pocket.pt,3up2_ligand.pt
4lar,CC([NH3+])CC1C=CC=CC=1,4.68,4lar_protein.pt,4lar_pocket.pt,4lar_ligand.pt
4ucc,O=C([O-])C1=CC(=NN1CC1=CC=C(Cl)C=C1Cl)C(=O)[O-],4.32,4ucc_protein.pt,4ucc_pocket.pt,4ucc_ligand.pt
3ekv,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,9.41,3ekv_protein.pt,3ekv_pocket.pt,3ekv_ligand.pt
5epn,CCC1N=C2C=CC(=CC2=NC=1OC1CC2C(=O)NC3(CC3CCCCCCCC(NC(=O)OC(C)(C)C)C(=O)N2C1)C(=O)NS(=O)(=O)C1CC1)OC,8.66,5epn_protein.pt,5epn_pocket.pt,5epn_ligand.pt
2p7g,CC(C)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,6.53,2p7g_protein.pt,2p7g_pocket.pt,2p7g_ligand.pt
1o5a,N=[C+](=N)C1C=C2C=C(NC2=CC=1)C1=CC=CC(C2C=CC=CC=2)=C1O,6.42,1o5a_protein.pt,1o5a_pocket.pt,1o5a_ligand.pt
4hw3,CC1=CC(=CC(C)=C1Cl)OCCCC1C2=CC=CC=C2SC=1C(=O)[O-],6.49,4hw3_protein.pt,4hw3_pocket.pt,4hw3_ligand.pt
1ai5,O=C([O-])CC1=CC=CC(=C1)[N+](=O)[O-],3.72,1ai5_protein.pt,1ai5_pocket.pt,1ai5_ligand.pt
4b3c,OC1=CC=C2NC=CC2=C1,2.68,4b3c_protein.pt,4b3c_pocket.pt,4b3c_ligand.pt
4ts1,[NH3+]C(CC1C=CC(O)=CC=1)C(=O)[O-],4.94,4ts1_protein.pt,4ts1_pocket.pt,4ts1_ligand.pt
5oa6,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(C3O)N3C=C(CCCN4C=CCC5C=CC=CC=54)N=N3)C2O)C(O)C(O)C1O,5.51,5oa6_protein.pt,5oa6_pocket.pt,5oa6_ligand.pt
3zll,NC1C(=O)NC(=O)N(CC2C=CC=CC=2)C=1O,6.4,3zll_protein.pt,3zll_pocket.pt,3zll_ligand.pt
1qbt,O=C(NC1=NC2C=CC=CC=2N1)C1C=C(C=CC=1)CN1C(=O)N(CC2C=CC=C(C=2)C(=O)NC2=NC3C=CC=CC=3N2)C(CC2C=CC=CC=2)C(O)C(O)C1CC1C=CC=CC=1,10.62,1qbt_protein.pt,1qbt_pocket.pt,1qbt_ligand.pt
1dqn,NC1=NC2C(=CNC=2C(=O)N1)C1[NH2+]C(COP(=O)(=O)=O)C(O)C1O,8.0,1dqn_protein.pt,1dqn_pocket.pt,1dqn_ligand.pt
1igb,[NH3+]C(CC1C=CC(I)=CC=1)C(=O)NO,6.4,1igb_protein.pt,1igb_pocket.pt,1igb_ligand.pt
3q71,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(O)C(O)C2O)C(O)C1O,5.22,3q71_protein.pt,3q71_pocket.pt,3q71_ligand.pt
3ryy,CCCNC(=O)C1C=CC(=CC=1)S(N)(=O)=O,7.42,3ryy_protein.pt,3ryy_pocket.pt,3ryy_ligand.pt
4crl,C[NH+](C)C1CC23CCC4(O2)C(C=C3C(O)C1O)=CCC1(C)C(CCC41)C1C=CC2=CC=NC=C2C=1,9.71,4crl_protein.pt,4crl_pocket.pt,4crl_ligand.pt
1df8,O=C([O-])CCCCC1SCC2NC(=O)NC21,9.7,1df8_protein.pt,1df8_pocket.pt,1df8_ligand.pt
5cas,COC1CCN(CC1F)C1N=CC=C(N=1)NC1C=C2C(=CN=1)N=C(C(C)O)N2C(C)C(F)(F)F,8.85,5cas_protein.pt,5cas_pocket.pt,5cas_ligand.pt
6g38,NC1=NC=NC2=C1C=CN2C1OC(CO)C(O)C1O,6.62,6g38_protein.pt,6g38_pocket.pt,6g38_ligand.pt
3m67,NS(=O)(=O)C1C=C(C=CC=1Cl)C(=O)CSC1=NC2=CC3OCCOC=3C=C2N1,6.74,3m67_protein.pt,3m67_pocket.pt,3m67_ligand.pt
4cl6,ClC1C=CC(=CC=1)CNC1=NN=C(N1)C1=CC=CO1,5.39,4cl6_protein.pt,4cl6_pocket.pt,4cl6_ligand.pt
4dsy,O=C([O-])C1=CN=CC(=C1)C1C=CC=CC=1,4.43,4dsy_protein.pt,4dsy_pocket.pt,4dsy_ligand.pt
4w9c,CC(C)(C)CC(=O)N1CC(O)CC1C(=O)NCC1C=CC(=CC=1)C1=CN=CO1,4.65,4w9c_protein.pt,4w9c_pocket.pt,4w9c_ligand.pt
2yi7,CCOC1C=CC(=CC=1)C1SN=NC=1C1C=C(Cl)C(O)=CC=1O,8.32,2yi7_protein.pt,2yi7_pocket.pt,2yi7_ligand.pt
3qbc,N=[C+]1NC(=O)C2NC(S)=NC=2N1,4.97,3qbc_protein.pt,3qbc_pocket.pt,3qbc_ligand.pt
3kmy,NC1N=CC=CC=1CCC1C=C(Cl)C=CC=1,4.49,3kmy_protein.pt,3kmy_pocket.pt,3kmy_ligand.pt
1ws1,CCCCCC(CC(=O)NO)C(=O)NC(C(=O)N1CCCC1C(=O)[O-])C(C)C,9.55,1ws1_protein.pt,1ws1_pocket.pt,1ws1_ligand.pt
3l0v,COC1C=CC2NN(CC3(C)NC(=O)NC3=O)C(=O)C=2C=1,7.64,3l0v_protein.pt,3l0v_pocket.pt,3l0v_ligand.pt
1jys,NC1=NC=NC2NC=NC=21,3.52,1jys_protein.pt,1jys_pocket.pt,1jys_ligand.pt
3hkn,CC(=O)OCC1OC(OC2C(COC(C)=O)OC(C(OC(C)=O)C2OC(C)=O)S(N)(=O)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,5.35,3hkn_protein.pt,3hkn_pocket.pt,3hkn_ligand.pt
5j86,CC1=CC=CC=C1N1C(=O)NN=C1C1C=C(C(=O)N(C)CC2=CC=CS2)C(O)=CC=1O,8.26,5j86_protein.pt,5j86_pocket.pt,5j86_ligand.pt
5f63,CC1=CN=C(N=C1NC1=CC=C(Cl)C(=C1)NS(=O)(=O)C(C)(C)C)NC1C=CC(C(=O)NC2CC[NH+](C)CC2)=C(F)C=1,7.92,5f63_protein.pt,5f63_pocket.pt,5f63_ligand.pt
3djo,O=C1C=CN(C(=O)N1)C1OC(CO)C(O)C1OP(=O)(=O)=O,4.39,3djo_protein.pt,3djo_pocket.pt,3djo_ligand.pt
1rql,C=CS(=O)(=O)[O-],2.75,1rql_protein.pt,1rql_pocket.pt,1rql_ligand.pt
1gwv,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,2.57,1gwv_protein.pt,1gwv_pocket.pt,1gwv_ligand.pt
5ceq,N#CC1=CC=NC(=C1)NC1C=C(C2CC[NH+](CC2)C2COC2)N(N=1)C1CCCC1,7.38,5ceq_protein.pt,5ceq_pocket.pt,5ceq_ligand.pt
4d1j,OCC1[NH2+]CC(O)C(O)C1O,6.31,4d1j_protein.pt,4d1j_pocket.pt,4d1j_ligand.pt
4ehz,CC1=NC2=CN=C3NC=CC3=C2N1C1CC[NH2+]CC1,8.0,4ehz_protein.pt,4ehz_pocket.pt,4ehz_ligand.pt
6eyb,OC1=CC2=NNC(CC3C=CC=CC=3)=C2C=C1C1=CC=NN1C1C=CC=CC=1,5.37,6eyb_protein.pt,6eyb_pocket.pt,6eyb_ligand.pt
5tt3,CCOC1=CC=C2N=C(SC2=C1)S(N)(=O)=O,6.71,5tt3_protein.pt,5tt3_pocket.pt,5tt3_ligand.pt
2pk5,CC1(C)SCN(C(=O)C(O)C(CC2C=CC=CC=2)NC(=O)C(CS(C)(=O)=O)NC(=O)COC2=CC=CC3=CN=CC=C32)C1C(=O)NC1C2=CC=CC=C2CC1O,10.7,2pk5_protein.pt,2pk5_pocket.pt,2pk5_ligand.pt
5ime,CNC1=NC=C2C=C(C(=O)N(CCC[NH3+])C2=N1)C1C=CC(=CC=1Cl)N1C=CN=C(C)C1=O,8.34,5ime_protein.pt,5ime_pocket.pt,5ime_ligand.pt
1d4h,O=C(NCC1C=CC=CC=1)C(OCC1C=CC=CC=1)C(O)C(O)C(OCC1C=CC=CC=1)C(=O)NC1C2=CC=CC=C2CC1O,10.0,1d4h_protein.pt,1d4h_pocket.pt,1d4h_ligand.pt
1xug,N=[C+](=N)C1C=C2NC(CC3=NC4=CC=C(C=C4N3)[C+](=N)=N)=NC2=CC=1,7.05,1xug_protein.pt,1xug_pocket.pt,1xug_ligand.pt
4ejl,O=C([O-])CCC1=CNC2C=CC=CC=21,5.14,4ejl_protein.pt,4ejl_pocket.pt,4ejl_ligand.pt
5dh5,CN1C=C(C=N1)CNC1=CC(=NC2=CC=NN21)OCC1CC1C1C=CC=CN=1,9.64,5dh5_protein.pt,5dh5_pocket.pt,5dh5_ligand.pt
5j6a,NC(=O)CC([NH3+])C(=O)N1CCC(CC1)NC1C=CC2CN(CC=2C=1)S(=O)(=O)C1C=CC(O)=CC=1O,7.77,5j6a_protein.pt,5j6a_pocket.pt,5j6a_ligand.pt
3ffp,NS(=O)(=O)C1C=C2N=C(NC2=CC=1)C1=CSC=N1,7.14,3ffp_protein.pt,3ffp_pocket.pt,3ffp_ligand.pt
4ad3,OCC1[NH2+]CC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,4.62,4ad3_protein.pt,4ad3_pocket.pt,4ad3_ligand.pt
3ejp,O=C(CC1CCC(O)C2C(O)C(O)C[NH+]12)C1C=CC=CC=1,8.55,3ejp_protein.pt,3ejp_pocket.pt,3ejp_ligand.pt
1kzn,COC1C(OC(=O)C2=CC=C(C)N2)C(O)C(OC2C=CC3C(O)=C(NC(=O)C4C=CC(O)=C(C=4)CC=C(C)C)C(=O)OC=3C=2Cl)OC1(C)C,8.92,1kzn_protein.pt,1kzn_pocket.pt,1kzn_ligand.pt
5h1t,COC(=O)N1CCCC2C=C(N)C=CC=21,3.8,5h1t_protein.pt,5h1t_pocket.pt,5h1t_ligand.pt
1ndv,NC(=[NH2+])NC1=NC(=CS1)C1=CC=C(CNC2=NC3C=CC=CC=3N2)S1,5.92,1ndv_protein.pt,1ndv_pocket.pt,1ndv_ligand.pt
3alt,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,2.92,3alt_protein.pt,3alt_pocket.pt,3alt_ligand.pt
1wc1,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=S)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.0,1wc1_protein.pt,1wc1_pocket.pt,1wc1_ligand.pt
5orv,CSC1=NSC(SC)=C1CO,2.89,5orv_protein.pt,5orv_pocket.pt,5orv_ligand.pt
3brn,[NH3+]CCC1=CNC2=CC=C(O)C=C12,8.7,3brn_protein.pt,3brn_pocket.pt,3brn_ligand.pt
3cd5,CCC1=C(C(=O)NC2C=CC(=CC=2)C2C=CC=CC=2)C2CCCCCC=2N1CCC(O)CC(O)CC(=O)[O-],7.9,3cd5_protein.pt,3cd5_pocket.pt,3cd5_ligand.pt
5nkh,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC(=CC(=C2)C(=O)NC2CC[NH2+]CC2)C2=CC=CC=C2N)S1,7.59,5nkh_protein.pt,5nkh_pocket.pt,5nkh_ligand.pt
3rf4,NS(=O)(=O)C1C=C(C(=O)[O-])C(=CC=1Cl)NCC1=CC=CO1,6.25,3rf4_protein.pt,3rf4_pocket.pt,3rf4_ligand.pt
4yes,CC1=CC=C(N1)C(=O)N1CCCC1C(=O)NCC1C=C(Cl)C=CC=1C[NH3+],8.02,4yes_protein.pt,4yes_pocket.pt,4yes_ligand.pt
2qbq,CC1(C)CC(CC(C)(C)C1)NC1=CC=CC(=C1)C1SC(C(=O)[O-])=C(OCC(=O)[O-])C=1Br,7.44,2qbq_protein.pt,2qbq_pocket.pt,2qbq_ligand.pt
4kao,CC1C=CC(=CC=1)N1N=C(C=C1NC(=O)NC1C=CC(=CC=1)C1C=NC=CC=1)C(C)(C)C,6.11,4kao_protein.pt,4kao_pocket.pt,4kao_ligand.pt
1bzy,NC1=NC2C(=CNC=2C(=O)N1)C1[NH2+]C(COP(=O)(=O)=O)C(O)C1O,8.34,1bzy_protein.pt,1bzy_pocket.pt,1bzy_ligand.pt
3suu,CC(=O)NC1C([NH2+]OC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,8.52,3suu_protein.pt,3suu_pocket.pt,3suu_ligand.pt
4mr3,COC1=CC(OC)=C2C(=O)NC(=NC2=C1)C1C=C(C)C(O)=C(C)C=1,5.94,4mr3_protein.pt,4mr3_pocket.pt,4mr3_ligand.pt
4kp8,NS(=O)(=O)C1C=C(C=CC=1)C(=O)CSC1N=CC=CN=1,5.48,4kp8_protein.pt,4kp8_pocket.pt,4kp8_ligand.pt
3zso,C=CC[NH+](CC1=CC=CC=C1C(=O)NC(C1C=CC(=CC=1)OC)C1C=CC(=CC=1)OC)CC1C=CC2OCOC=2C=1C(=O)[O-],5.12,3zso_protein.pt,3zso_pocket.pt,3zso_ligand.pt
3h89,NC(=[NH2+])NCCCC(NC(=O)C(CC=CCNC(=O)CC1C=CC(=CC=1)C1C=CC=CC1)NC(=O)CC1C=CC(CC1)C1C=CCCC1)C(=O)NC(CC1C=CC(=O)CC1)C(=O)NCCC1CCCCC1,7.64,3h89_protein.pt,3h89_pocket.pt,3h89_ligand.pt
5htl,NC1=NC2=C(N=CN2C2OC3COP([O])(=O)OC4C(COP([O])(=O)OC3C2O)OC(C4O)N2C=NC3C(=O)NC(N)=NC=32)C(=O)N1,6.3,5htl_protein.pt,5htl_pocket.pt,5htl_ligand.pt
1c5y,N=[C+](=N)C1=CC2C=CC=NC=2S1,4.2,1c5y_protein.pt,1c5y_pocket.pt,1c5y_ligand.pt
5am6,C[NH+]1CCN(CC1)C1C=C2NC(=NC2=CC=1)C1C(=O)NC2=CC=CC(F)=C2C=1N,6.73,5am6_protein.pt,5am6_pocket.pt,5am6_ligand.pt
2v58,NC1=NC=C2C=C(C(N)=NC2=N1)C1C(Br)=CC=CC=1Br,9.09,2v58_protein.pt,2v58_pocket.pt,2v58_ligand.pt
1v2s,N=[C+](=N)C1C=CC=CC=1,4.17,1v2s_protein.pt,1v2s_pocket.pt,1v2s_ligand.pt
3s77,NS(=O)(=O)C1=NC=CS1,7.21,3s77_protein.pt,3s77_pocket.pt,3s77_ligand.pt
2oxx,S=C1NC2C(Br)=C(Br)C(Br)=C(Br)C=2N1,6.7,2oxx_protein.pt,2oxx_pocket.pt,2oxx_ligand.pt
5ult,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1C2COC3OCC1C3C2,10.85,5ult_protein.pt,5ult_pocket.pt,5ult_ligand.pt
1r9l,C[N+](C)(C)CC(=O)[O-],5.4,1r9l_protein.pt,1r9l_pocket.pt,1r9l_ligand.pt
1fcz,CC1(C)CCC(C)(C)C2C=C(C=CC=21)C(=O)C=CC1C=CC(=CC=1)C(=O)[O-],9.22,1fcz_protein.pt,1fcz_pocket.pt,1fcz_ligand.pt
5kad,O=C([O-])C(=O)NC1SC2C[NH2+]CCC=2C=1C(=O)[O-],4.43,5kad_protein.pt,5kad_pocket.pt,5kad_ligand.pt
3ehx,CC(C)CC(NS(=O)(=O)C1C=CC(=CC=1)C1C=CC=CC=1)C(=O)[O-],7.6,3ehx_protein.pt,3ehx_pocket.pt,3ehx_ligand.pt
2jkh,C[N+](C)(C)CCCN1C(=O)C2C(C1=O)C(C1C=C(ON=1)C1=CC=C(Cl)S1)[NH+]1CCCC21,8.05,2jkh_protein.pt,2jkh_pocket.pt,2jkh_ligand.pt
3cfn,O=S(=O)([O-])C1=CC=CC2C=CC=C(NC3C=CC=CC=3)C=21,5.0,3cfn_protein.pt,3cfn_pocket.pt,3cfn_ligand.pt
1s39,NC1=NC2=CC=CC=C2C(=O)N1,7.7,1s39_protein.pt,1s39_pocket.pt,1s39_ligand.pt
3fzn,CO[P](=O)(=O)C(O)(C1C=CC=CC=1)C1SC(CCO[P](=O)(=O)OP(=O)(=O)=O)=C(C)N1CC1=CN=C(C)N=C1N,4.01,3fzn_protein.pt,3fzn_pocket.pt,3fzn_ligand.pt
4ad6,N=[C+]1NC(=O)C2=C(N=C(S)N2CCO)N1,4.78,4ad6_protein.pt,4ad6_pocket.pt,4ad6_ligand.pt
2qd7,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC2OCOC=2C=1,9.1,2qd7_protein.pt,2qd7_pocket.pt,2qd7_ligand.pt
3fvn,[NH3+]C(CC1(CC2OCCC(O)C2O1)C(=O)[O-])C(=O)[O-],6.77,3fvn_protein.pt,3fvn_pocket.pt,3fvn_ligand.pt
5f60,CC1=CN=C(N=C1NC1=CC=C(Cl)C(=C1)NS(=O)(=O)C(C)(C)C)NC1C=CC(=CC=1)N1CC[NH+](C)CC1,7.37,5f60_protein.pt,5f60_pocket.pt,5f60_ligand.pt
4z2b,CN1C(=NC2C=CC(=CC=21)C(=O)N1CCOC(C2C=CC=CC=2)C1CO)C1=CNC2C=C(C#N)C=CC=21,7.76,4z2b_protein.pt,4z2b_pocket.pt,4z2b_ligand.pt
1hvj,CC(C)C(NC(=O)N(C)CC1=CC=CC=N1)C(=O)NC(CC1C=CC=CC=1)CC(O)C(CC1C=CC=CC=1)NC(=O)C(NC(=O)N(C)CC1=CC=CC=N1)C(C)C,11.4,1hvj_protein.pt,1hvj_pocket.pt,1hvj_ligand.pt
5uln,NS(=O)(=O)C1C=CC(=CC=1)NC(=S)NC1C=CC(F)=CC=1,7.85,5uln_protein.pt,5uln_pocket.pt,5uln_ligand.pt
3hek,O=C(C1C=C(Cl)C(O)=CC=1O)N1CCCC1C1C=CC(=CC=1)C[NH+]1CCC(F)(F)C1,8.27,3hek_protein.pt,3hek_pocket.pt,3hek_ligand.pt
2hah,CC(NC(=O)OCC1C=CC=CC=1)C(=O)NC(C(=O)NC(CO)CC1C=CC=CC=1)C(C)C,8.0,2hah_protein.pt,2hah_pocket.pt,2hah_ligand.pt
1gvw,CCC(C)CNC(=O)C[P](=O)(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC1C=CC=CC=1)NC(=O)OC(C)(C)C,6.96,1gvw_protein.pt,1gvw_pocket.pt,1gvw_ligand.pt
4afg,C1C=NC2=CC3=C(C=C2N=1)C1C[NH2+]CC3C1,8.3,4afg_protein.pt,4afg_pocket.pt,4afg_ligand.pt
3e92,CC1=CC=C(C=C1C1=CC=C(C=C1C)C1=NN=C(C)O1)C(=O)NC1CC1,8.0,3e92_protein.pt,3e92_pocket.pt,3e92_ligand.pt
3oaf,NC1=NC(N)=C2C=C(C=NC2=N1)CNC1C=C(Cl)C=CC=1Cl,8.8,3oaf_protein.pt,3oaf_pocket.pt,3oaf_ligand.pt
2wzf,O=C1C=CN(C(=O)N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,7.0,2wzf_protein.pt,2wzf_pocket.pt,2wzf_ligand.pt
3pgu,CC=CCCCCC=CCC(=O)[O-],6.7,3pgu_protein.pt,3pgu_pocket.pt,3pgu_ligand.pt
4riu,O=S1(=O)NC(O)C2=CC=C(C=C21)N1C=C(COC2OC(CO)C(O)C(O)C2O)N=N1,7.3,4riu_protein.pt,4riu_pocket.pt,4riu_ligand.pt
3qx5,C[N+]1C=CC(Cl)=CC=1CNC(=O)C1CCCN1C(=O)C([NH3+])CC1C=CC=CC=1,4.2,3qx5_protein.pt,3qx5_pocket.pt,3qx5_ligand.pt
5k0h,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)CNC(=O)C(COCC1C=CC=CC=1)NS(=O)(=O)CC1C=CC=CC=1,7.09,5k0h_protein.pt,5k0h_pocket.pt,5k0h_ligand.pt
3zpu,COC(=O)NC(C(=O)N[NH+](CCCC1(O)CC2C=CC(=CC=2)CC=CCNC(=O)C(NC1=O)C(C)(C)C)CC1C=CC(Br)=CC=1)C(C)(C)C,8.38,3zpu_protein.pt,3zpu_pocket.pt,3zpu_ligand.pt
1eb2,N=[C+](=N)C1C=CC=C(C=1)C(=O)NC(C(=O)N1CCC(CC1)C(=O)C1C=CC=CC=1)C1C=CC=CC=1,6.01,1eb2_protein.pt,1eb2_pocket.pt,1eb2_ligand.pt
4kb9,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCCC2OC3OCCC3C12,11.0,4kb9_protein.pt,4kb9_pocket.pt,4kb9_ligand.pt
2gss,C=C(CC)C(=O)C1C=CC(OCC(=O)[O-])=C(Cl)C=1Cl,4.94,2gss_protein.pt,2gss_pocket.pt,2gss_ligand.pt
3gjw,O=C1NC2C=C(C=CC=2N2C=CC=C12)C[NH+]1CCCC1,8.3,3gjw_protein.pt,3gjw_pocket.pt,3gjw_ligand.pt
1ghy,N=[C+](=N)C1C=CC2N=C(NC=2C=1)C1=NC=CC=C1O,8.1,1ghy_protein.pt,1ghy_pocket.pt,1ghy_ligand.pt
4app,C[NH+]1CCN(C(=O)N2CC3C(=NNC=3C2(C)C)NC(=O)C2C=CC=C(C=2)OC2C=CC=CC=2)C(CC2C=CC=CC=2)C1,7.19,4app_protein.pt,4app_pocket.pt,4app_ligand.pt
6gji,CCOC(=O)CNC(=O)N(CC1C=CC(N)=CC=1)CC1=CN(C)N=N1,3.87,6gji_protein.pt,6gji_pocket.pt,6gji_ligand.pt
5hbs,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,7.73,5hbs_protein.pt,5hbs_pocket.pt,5hbs_ligand.pt
5ko1,NC1=NC=CN=C1C(=O)OC(C(=O)NC1C=CC(F)=CC=1)C1C=CC=CC=1,6.64,5ko1_protein.pt,5ko1_pocket.pt,5ko1_ligand.pt
2vkm,COC1C=C(C=CC=1)C[NH2+]CC(O)C(CC1C=CC=CC=1)NC(=O)C1=CC(=CC(=C1)N(C)S(C)(=O)=O)C(=O)NC(C)C1C=CC=CC=1,8.74,2vkm_protein.pt,2vkm_pocket.pt,2vkm_ligand.pt
6eux,O=C([O-])C1C2CCC(CC2)C1NC1N=C(N=CC=1F)C1NN=C2N=CC(F)=CC=12,5.92,6eux_protein.pt,6eux_pocket.pt,6eux_ligand.pt
4b32,OC1=CC=C2C=CC=CC2=C1,3.34,4b32_protein.pt,4b32_pocket.pt,4b32_ligand.pt
2v57,NC1=CC=C2C=C3C=CC(N)=CC3=NC2=C1,7.1,2v57_protein.pt,2v57_pocket.pt,2v57_ligand.pt
3s71,NS(=O)(=O)C1=CC2=CC=CC=C2O1,8.64,3s71_protein.pt,3s71_pocket.pt,3s71_ligand.pt
3t64,O=C1C=CN(C(=O)N1)C1CC(O)C(C[NH2+]C(C2C=CC=CC=2)C2C=CC=CC=2)O1,6.7,3t64_protein.pt,3t64_pocket.pt,3t64_ligand.pt
6fmc,NC(=[NH2+])NCCCC(NC(=O)C1SC=CC=1NS(=O)(=O)C1C=C(C=C2C=COC=12)C1C=CC(=CC=1)C[NH3+])C(=O)[O-],5.88,6fmc_protein.pt,6fmc_pocket.pt,6fmc_ligand.pt
3pww,CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C(CC1C=CC=CC=1)NC(=O)C(CC(N)=O)NC(=O)C1C=CC2=CC=CC=C2N=1,7.32,3pww_protein.pt,3pww_pocket.pt,3pww_ligand.pt
5fhm,[NH3+]CC1=CC=CC(=C1)CN1N=NC(=N1)C1ONC(=O)C=1CC([NH3+])C(=O)[O-],5.09,5fhm_protein.pt,5fhm_pocket.pt,5fhm_ligand.pt
5nw1,CC1N=CSC=1C1C=CC(=CC=1)CNC(=O)C1CC(O)CN1C(=O)C(NC(=O)C1CCC1)C(C)(C)C,6.6,5nw1_protein.pt,5nw1_pocket.pt,5nw1_ligand.pt
2o4n,CCCC1(CCC2C=CC=CC=2)CC(O)=C(C(=O)O1)C(CC)C1C=C(C=CC=1)NS(=O)(=O)C1C=CC(=CN=1)C(F)(F)F,7.82,2o4n_protein.pt,2o4n_pocket.pt,2o4n_ligand.pt
2e27,COCOC1CC2OC3C=CC=COC3C(O)C2OC1CC(=O)[O-],9.35,2e27_protein.pt,2e27_pocket.pt,2e27_ligand.pt
2xjx,CC(C)C1=CC(C(=O)N2CC3C=CC(=CC=3C2)C[NH+]2CC[NH+](C)CC2)=C(O)C=C1O,9.15,2xjx_protein.pt,2xjx_pocket.pt,2xjx_ligand.pt
1lgw,NC1C=CC=CC=1F,4.0,1lgw_protein.pt,1lgw_pocket.pt,1lgw_ligand.pt
3cft,NC1=CC=CC2C1=CC=CC=2S(=O)(=O)[O-],4.19,3cft_protein.pt,3cft_pocket.pt,3cft_ligand.pt
5g60,OCC1OC(OC2(COC3(COC4(CO)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,6.52,5g60_protein.pt,5g60_pocket.pt,5g60_ligand.pt
4uac,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1[NH2+]C1CC(CO)C(O)C(O)C1O,6.54,4uac_protein.pt,4uac_pocket.pt,4uac_ligand.pt
4dsu,C1C=CC2NC=NC=2C=1,2.82,4dsu_protein.pt,4dsu_pocket.pt,4dsu_ligand.pt
4r73,O=P(=O)(=O)OCC1OC(O)C(O)C(O)C1O,7.64,4r73_protein.pt,4r73_pocket.pt,4r73_ligand.pt
3f5l,OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O,3.72,3f5l_protein.pt,3f5l_pocket.pt,3f5l_ligand.pt
3b50,CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)CO)C(=O)[O-],7.55,3b50_protein.pt,3b50_pocket.pt,3b50_ligand.pt
5c1w,CC1C(Cl)=NC(=NC=1Cl)C1CC1,5.06,5c1w_protein.pt,5c1w_pocket.pt,5c1w_ligand.pt
2cer,OCC1C(O)C(O)C(O)C2=NC(=CN21)CCC1C=CC=CC=1,9.22,2cer_protein.pt,2cer_pocket.pt,2cer_ligand.pt
5ie1,CC1=CC=CC=C1C1C=CC2=NC(N)=C(C=C2C=1)CCC(=O)NCCC(C)(C)C,6.85,5ie1_protein.pt,5ie1_pocket.pt,5ie1_ligand.pt
5n93,CC(C)(C)NC1N=C(C=C(N)C=1C#N)NC1C=CC(=CC=1)C(N)=O,8.66,5n93_protein.pt,5n93_pocket.pt,5n93_ligand.pt
4z0k,CC1=CC=C(O)C2=C3CC(C)(CCC3=NN12)NC(=O)C1C=CC(=CC=1)N1C=NN=C1,6.34,4z0k_protein.pt,4z0k_pocket.pt,4z0k_ligand.pt
2vfk,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,3.71,2vfk_protein.pt,2vfk_pocket.pt,2vfk_ligand.pt
3lzu,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,10.06,3lzu_protein.pt,3lzu_pocket.pt,3lzu_ligand.pt
3dbu,NS(=O)(=O)C1=NN=C(NS(=O)(=O)C2C=CC=CC=2)S1,8.06,3dbu_protein.pt,3dbu_pocket.pt,3dbu_ligand.pt
1lnm,CC12CCC(O)CC1CCC1C2CCC2(C)C(CCC12O)C1=CC(=O)OC1,8.7,1lnm_protein.pt,1lnm_pocket.pt,1lnm_ligand.pt
4duh,CCC(=O)NC1=NC(C)=C(S1)C1=CSC(=N1)NC1C=CC(=CC=1)C(=O)[O-],5.18,4duh_protein.pt,4duh_pocket.pt,4duh_ligand.pt
1ebz,CNC(=O)C(NC(=O)C(OCC1C=CC=CC=1)C(O)C(O)C(OCC1C=CC=CC=1)C(=O)NC1C2=CC=CC=C2CC1O)C(C)C,9.4,1ebz_protein.pt,1ebz_pocket.pt,1ebz_ligand.pt
2f94,CCCCC[NH+](C)CCC(O)(P(=O)(=O)=O)P(=O)(=O)=O,6.71,2f94_protein.pt,2f94_pocket.pt,2f94_ligand.pt
1bty,N=[C+](=N)C1C=CC=CC=1,4.74,1bty_protein.pt,1bty_pocket.pt,1bty_ligand.pt
5tya,O=C1NC(=O)C(S1)C1C=CC=CC=1,4.48,5tya_protein.pt,5tya_pocket.pt,5tya_ligand.pt
1wcq,CC(O)[NH2+]C1C(O)C=C(OC1C(O)C(O)CO)C(=O)[O-],6.26,1wcq_protein.pt,1wcq_pocket.pt,1wcq_ligand.pt
3acw,OC1(C[NH+]2CCC1CC2)C1C=CC(=CC=1)C1C=CC=CC=1,4.76,3acw_protein.pt,3acw_pocket.pt,3acw_ligand.pt
5j1r,O=C(CCC1C=COC=1)N1C=CC=C1,4.66,5j1r_protein.pt,5j1r_pocket.pt,5j1r_ligand.pt
1add,NC1=CC=NC2=C1N=CN2C1OC(CO)C(O)C1O,6.74,1add_protein.pt,1add_pocket.pt,1add_ligand.pt
4jyt,N=[C+](=N)C1C=CC(=CC=1)OC1=CC=C(NS(=O)(=O)C2C=C3C=CC=CC3=CC=2)C(=N1)OC1C=CC(=CC=1)[C+](=N)=N,7.4,4jyt_protein.pt,4jyt_pocket.pt,4jyt_ligand.pt
4azg,CC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,7.1,4azg_protein.pt,4azg_pocket.pt,4azg_ligand.pt
1zfq,NS(=O)(=O)C1=NC2C=CC(O)=CC=2S1,7.52,1zfq_protein.pt,1zfq_pocket.pt,1zfq_ligand.pt
4zw7,CC(C)(C)OC(=O)NC(C(=O)NO)C1C=CC(=CC=1)C1C=C(F)C(F)=C(F)C=1,4.72,4zw7_protein.pt,4zw7_pocket.pt,4zw7_ligand.pt
1j36,[NH3+]CCCCC([NH2+]C(CCC1C=CC=CC=1)C(=O)[O-])C(=O)N1CC=CC1C(=O)[O-],7.74,1j36_protein.pt,1j36_pocket.pt,1j36_ligand.pt
4cwn,COC1=CC(=CC(=C1)OC)CC1=NC2C=CC=CC=2C2NC(N)=N[N+]=21,5.59,4cwn_protein.pt,4cwn_pocket.pt,4cwn_ligand.pt
5nvw,CC1N=CSC=1C1C=CC(=CC=1)CNC(=O)C1CC(O)CN1C(=O)C(NC(=O)C1CC1)C(C)(C)C,6.77,5nvw_protein.pt,5nvw_pocket.pt,5nvw_ligand.pt
5vsj,O=P(=O)(=O)CC[NH+]1C(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1CO,4.02,5vsj_protein.pt,5vsj_pocket.pt,5vsj_ligand.pt
5kly,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)NCCC2=CNC3C=CC=CC=32)C(O)C1O,7.21,5kly_protein.pt,5kly_pocket.pt,5kly_ligand.pt
3shc,[NH3+]C(CC1C=CC=CC=1)C(=O)N1CCCC1C(=O)NCC1C=C(Cl)C=CN=1,5.72,3shc_protein.pt,3shc_pocket.pt,3shc_ligand.pt
4np2,CC1NC=NC=1C[NH+]1CCC2C=CC=CC=2C1,2.26,4np2_protein.pt,4np2_pocket.pt,4np2_ligand.pt
2c97,O=C1NC(=O)C(CCCCOP(=O)(=O)=O)=C(Cl)N1,6.14,2c97_protein.pt,2c97_pocket.pt,2c97_ligand.pt
1t7d,CC(=O)N(C)C(CO)C(=O)NC(C)C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(CC2=CC=C(O)C(=C2)C2C=C1C=CC=2O)C(=O)[O-],6.03,1t7d_protein.pt,1t7d_pocket.pt,1t7d_ligand.pt
2xj7,CC(=O)NC1C[NH+]2CCC(O)C2C(O)C1O,6.66,2xj7_protein.pt,2xj7_pocket.pt,2xj7_ligand.pt
4f39,C=C(C)C1C[NH2+]C(C(=O)[O-])C1CC(=O)[O-],5.7,4f39_protein.pt,4f39_pocket.pt,4f39_ligand.pt
4llk,CC1=NC(=O)C2=CC=CC=C2N1,3.0,4llk_protein.pt,4llk_pocket.pt,4llk_ligand.pt
4zx3,CC(C)(C)C(=O)NC(C(=O)NO)C1C=CC(Br)=CC=1,7.19,4zx3_protein.pt,4zx3_pocket.pt,4zx3_ligand.pt
2d0k,NC1=NC2N=CC(CNC3C=CC(=CC=3)C(=O)NC(CCC(=O)[O-])C(=O)[O-])=NC=2C(=O)N1,5.02,2d0k_protein.pt,2d0k_pocket.pt,2d0k_ligand.pt
4nj9,COC1C=C(C2C=CC3C4=C(C=CC=1C=24)C(=CC=3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],6.97,4nj9_protein.pt,4nj9_pocket.pt,4nj9_ligand.pt
2f34,CC1=CN(CC([NH3+])C(=O)[O-])C(=O)N(CC2C=CSC=2C(=O)[O-])C1=O,6.89,2f34_protein.pt,2f34_pocket.pt,2f34_ligand.pt
3d7k,CO[P](=O)(=O)C(O)(C1C=CC=CC=1)C1SC(CCO[P](=O)(=O)OP(=O)(=O)=O)=C(C)N1CC1=CN=C(C)N=C1N,4.6,3d7k_protein.pt,3d7k_pocket.pt,3d7k_ligand.pt
4rak,CC(C)(O)C1=CN(C2C=CC(=CC=2)C2=CC=CC(=C2)S(C)(=O)=O)C(=N1)C(C)(C)C1=CC=CC=C1Cl,7.85,4rak_protein.pt,4rak_pocket.pt,4rak_ligand.pt
1n0s,O=C1C=CC2C(=C1)OC1=CC(O)=CC=C1C=2C1=CC=CC=C1C(=O)[O-],7.45,1n0s_protein.pt,1n0s_pocket.pt,1n0s_ligand.pt
1xh9,CN(C)C1C=CC(O)=C(C=1)C(=O)C1C=CC(=CC=1)C(=O)NC1CCC[NH2+]CC1NC(=O)C1C=CN=CC=1,7.77,1xh9_protein.pt,1xh9_pocket.pt,1xh9_ligand.pt
3mfw,NC1=NC=C(CC([NH3+])C(=O)[O-])N1,3.52,3mfw_protein.pt,3mfw_pocket.pt,3mfw_ligand.pt
5ost,OCC1C2NC=NC=2C(O)C(O)C1O,4.56,5ost_protein.pt,5ost_pocket.pt,5ost_ligand.pt
2xj1,[NH3+]C1CCC(CC1)NC1C=NC=C(N=1)C1C=CC=C(C=CC(=O)[O-])C=1,7.55,2xj1_protein.pt,2xj1_pocket.pt,2xj1_ligand.pt
3eqr,COC(C)(C)CCN1N=C(NC2C(C)=CC=CC=2C)C2C=NC(=NC=21)NC1C=CC(=CC=1)N1CC[NH2+]CC1,8.7,3eqr_protein.pt,3eqr_pocket.pt,3eqr_ligand.pt
6dj7,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCC(F)(F)C12)S(=O)(=O)C1C=CC(N)=CC=1,8.72,6dj7_protein.pt,6dj7_pocket.pt,6dj7_ligand.pt
6g14,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O[P](=O)(=O)OP(=O)(=O)=O)C1O,5.49,6g14_protein.pt,6g14_pocket.pt,6g14_ligand.pt
5llo,NS(=O)(=O)C1C(F)=C(NC2CCC3C=CC=CC=32)C(=C(F)C=1F)S(=O)(=O)CCO,9.4,5llo_protein.pt,5llo_pocket.pt,5llo_ligand.pt
5anv,CNC(=O)C1C=NC2=CC(OC)=C(C=C2C=1NC1=CC=C(Cl)C=C1F)OC,9.3,5anv_protein.pt,5anv_pocket.pt,5anv_ligand.pt
2vyt,C[NH2+]CCCCC([NH3+])C(=O)[O-],2.74,2vyt_protein.pt,2vyt_pocket.pt,2vyt_ligand.pt
4i9h,COC1C=C(OCC(O)C(O)C(O)C(O)COC2C=C(F)C=C(C=2)C2=CC=C(C=N2)C(=O)[O-])C(Cl)=CC=1NC(=O)CSC1=CC=C(C=N1)C(=O)[O-],7.17,4i9h_protein.pt,4i9h_pocket.pt,4i9h_ligand.pt
2jdp,COC1OC(C)C(O)C(O)C1O,6.6,2jdp_protein.pt,2jdp_pocket.pt,2jdp_ligand.pt
3vw1,CN(C)C1C=CC(=CC=1)C(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,4.67,3vw1_protein.pt,3vw1_pocket.pt,3vw1_ligand.pt
4u5o,NC(=O)C(CCCC[NH3+])[NH2+]CC1C=CC(=CC=1)C1C=CC=NC=1,2.42,4u5o_protein.pt,4u5o_pocket.pt,4u5o_ligand.pt
3n8k,O=C1C=C(C=C(O)N1)C(=O)[O-],4.05,3n8k_protein.pt,3n8k_pocket.pt,3n8k_ligand.pt
3g5k,CCCCCC(CC(=O)NO)C(=O)NC(C(=O)N1CCCC1CO)C(C)C,9.52,3g5k_protein.pt,3g5k_pocket.pt,3g5k_ligand.pt
6hly,O=C([O-])C1CCC(=O)N1CC(O)C(O)C(O)C(O)CO,7.33,6hly_protein.pt,6hly_pocket.pt,6hly_ligand.pt
1lpg,C[N+](C)(C)C1C=CC(=CC=1)CNC(=O)C1=CC2=CC(=CC=C2N1CC1C=CC=C(C=1)[C+](=N)=N)OCC1C=CC=CC=1,7.09,1lpg_protein.pt,1lpg_pocket.pt,1lpg_ligand.pt
4r74,O=P(=O)(=O)OCC1OC(O)(CO)C(O)C1O,8.1,4r74_protein.pt,4r74_pocket.pt,4r74_ligand.pt
4g0y,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,2.3,4g0y_protein.pt,4g0y_pocket.pt,4g0y_ligand.pt
3gta,C[NH2+]C(C)C(=O)NC(C(=O)N1CCCC1C1=NC2C(=CC=CC=2C2C=CC=CC=2)S1)C1CCCCC1,4.28,3gta_protein.pt,3gta_pocket.pt,3gta_ligand.pt
4ty6,NC(=O)C1C=CC(=CC=1)C1=CNC(=N1)C(CC1C=CC=CC=1)NC(=O)C1CCC(C[NH3+])CC1,7.52,4ty6_protein.pt,4ty6_pocket.pt,4ty6_ligand.pt
5vcy,COC1=CC(NC2C3=CC(OC)=C(C=C3N=CC=2C#N)OCCC[NH+]2CC[NH+](C)CC2)=C(Cl)C=C1Cl,6.57,5vcy_protein.pt,5vcy_pocket.pt,5vcy_ligand.pt
3cj4,CC1CC(C)CN(C1)C(=O)C1=CC(Br)=CC=C1NC(=O)CCC(=O)[O-],6.51,3cj4_protein.pt,3cj4_pocket.pt,3cj4_ligand.pt
6b4u,CC1C=CC=CC=1C1=CC=CC2C(CCCOC3=CC=CC4=CC=CC=C43)=C(C(=O)[O-])N(CC[NH+]3CCOCC3)C=21,7.68,6b4u_protein.pt,6b4u_pocket.pt,6b4u_ligand.pt
4xit,CC1C2C(=O)CC(C)(C)CC=2N2C3=CC(Cl)=C(C=C3N(CCC=12)CC1=CC=CO1)C(N)=O,7.27,4xit_protein.pt,4xit_pocket.pt,4xit_ligand.pt
5oha,O=C1CN=C(S)N1,4.89,5oha_protein.pt,5oha_pocket.pt,5oha_ligand.pt
5n9r,CC(CC(=O)N1CCC(O)(CC1)CN1C=NC2C(Br)=CSC=2C1=O)C1C=CC=CC=1,5.59,5n9r_protein.pt,5n9r_pocket.pt,5n9r_ligand.pt
1o2w,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(=CC(Br)=C1O)C(CC(=O)[O-])C(=O)[O-],5.85,1o2w_protein.pt,1o2w_pocket.pt,1o2w_ligand.pt
2wkz,COC(=O)NC(C(=O)N[NH+](CCC(O)(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC(=CC=1)C1=CC=CC=N1)C(C)(C)C,8.77,2wkz_protein.pt,2wkz_pocket.pt,2wkz_ligand.pt
3m5e,CSC1=NC(Cl)=C(C=O)C(=N1)NCC1C=CC(=CC=1)S(N)(=O)=O,7.37,3m5e_protein.pt,3m5e_pocket.pt,3m5e_ligand.pt
2x7u,COC1C=C2C(=CC=1OS(N)(=O)=O)CCC1C2CCC2(C)C(O)CCC12,5.27,2x7u_protein.pt,2x7u_pocket.pt,2x7u_ligand.pt
4cr5,O=C1C=CC2=CC(Cl)=CC=C2N1,4.15,4cr5_protein.pt,4cr5_pocket.pt,4cr5_ligand.pt
5i80,CN(C)C(=O)C1C=CC=C(C=1)C1=CN(C)C(=O)C2NC=CC=21,7.21,5i80_protein.pt,5i80_pocket.pt,5i80_ligand.pt
3f70,C[NH2+]CCCCC([NH3+])C(=O)[O-],4.85,3f70_protein.pt,3f70_pocket.pt,3f70_ligand.pt
4buq,CCCCCCCOC1OC(CO)C(O)C(O)C1O,8.14,4buq_protein.pt,4buq_pocket.pt,4buq_ligand.pt
4abb,[NH3+]CC1=CSC2C=CC=CC=21,4.51,4abb_protein.pt,4abb_pocket.pt,4abb_ligand.pt
1hfs,CC(C)CC(NC(=O)C(CCC1C=CC(=CC=1)C1C=CC(F)=CC=1)CC(CCCCN1CC2C=CC=CC=2C1=O)C(=O)[O-])C(=O)NC1C=CC=CC=1,8.7,1hfs_protein.pt,1hfs_pocket.pt,1hfs_ligand.pt
4mc6,CC(C)C1CC2=CC(F)=CC=C2S(=O)(=O)N(CC(O)C(CC2C=CC=CC=2)NC(=O)NC(C)(C)C)C1,9.59,4mc6_protein.pt,4mc6_pocket.pt,4mc6_ligand.pt
1sgu,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1C=CC=NC=1,5.37,1sgu_protein.pt,1sgu_pocket.pt,1sgu_ligand.pt
3d1z,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,8.8,3d1z_protein.pt,3d1z_pocket.pt,3d1z_ligand.pt
5i3w,N=[C+]1NC2(CO1)C1C=C(C=CC=1OC1C=NC(=CC=12)C1C=CCOC=1)NC(=O)C1=CC=C(Cl)C=N1,9.22,5i3w_protein.pt,5i3w_pocket.pt,5i3w_ligand.pt
3bgb,CC(C)CN(CC[NH2+]CCN(CC(C)C)S(=O)(=O)C1C=CC(N)=CC=1)S(=O)(=O)C1C=CC(N)=CC=1,6.05,3bgb_protein.pt,3bgb_pocket.pt,3bgb_ligand.pt
4crf,O=C1C=C(O)C2=CC(=CC=C2N1)C(=O)NC(CC1C=CC=CC=1)C(=O)NCC1=CC(=O)NC2C=CC(Cl)=CC=21,9.3,4crf_protein.pt,4crf_pocket.pt,4crf_ligand.pt
4m6u,O=C([O-])C(O)C(=O)[O-],2.74,4m6u_protein.pt,4m6u_pocket.pt,4m6u_ligand.pt
1k6t,CC(C1C=CC=CC=1)C(CC(O)C[NH+]1CC[NH+](CC2C=CC=NC=2)CC1C(=O)NC(C)(C)C)C(=O)NC1C2C=CC=CC=2CC1O,7.62,1k6t_protein.pt,1k6t_pocket.pt,1k6t_ligand.pt
5lz7,CC1(CC(=O)N(CCOC2=CC=C(F)C(C#N)=C2)C1)C1C=CC=CC=1,6.28,5lz7_protein.pt,5lz7_pocket.pt,5lz7_ligand.pt
2uy4,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,4.68,2uy4_protein.pt,2uy4_pocket.pt,2uy4_ligand.pt
1tx7,C[P](=O)(=O)C1C=CC(=CC=1)[C+](=N)=N,4.6,1tx7_protein.pt,1tx7_pocket.pt,1tx7_ligand.pt
4a4q,COC(=O)NC(C(=O)N[NH+](CCC1(CC2C=CC=CC=2)C(=O)N(CC1O)C1C2C=CC=CC=2CC1O)CC1C=CC(=CC=1)C1C=CN=CC=1)C(C)(C)C,9.4,4a4q_protein.pt,4a4q_pocket.pt,4a4q_ligand.pt
1v2r,COC(=O)C(CC1=CC=CC(=C1)[C+](=N)=N)NC(=O)CNS(=O)(=O)C1C=CC(C)=CC=1,3.55,1v2r_protein.pt,1v2r_pocket.pt,1v2r_ligand.pt
2wuf,CC(C=CC(=O)C(=O)[O-])C(=O)CCC1C(=O)CCC2(C)C(=O)CCC12,4.29,2wuf_protein.pt,2wuf_pocket.pt,2wuf_ligand.pt
4w9h,CC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCC1C=CC(=CC=1)C1SC=NC=1C)C(C)(C)C,6.73,4w9h_protein.pt,4w9h_pocket.pt,4w9h_ligand.pt
1q91,CC1=CN(C(=O)NC1=O)C1CC2OC(OCC2O1)(C1C=CC=CC=1)P(=O)(=O)=O,4.15,1q91_protein.pt,1q91_pocket.pt,1q91_ligand.pt
3qdd,COC1=C(C)C=NC(CN2C=NC3C2=NC(N)=NC=3Cl)=C1C,8.77,3qdd_protein.pt,3qdd_pocket.pt,3qdd_ligand.pt
3lzs,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,10.96,3lzs_protein.pt,3lzs_pocket.pt,3lzs_ligand.pt
2xyf,CNC(=O)C(NC(=O)C(O)(CCC[NH+](CC1C=CC(=CC=1)C1C=CSC=1)NC(=O)C(NC(=O)OC)C(C)(C)C)CC1C=CC=CC=1)C(C)(C)C,8.44,2xyf_protein.pt,2xyf_pocket.pt,2xyf_ligand.pt
5voj,COC1C=CC2=NC(C)=C(N=C2C=1)OC1CC2C(=O)NC3(CC3C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N2C1)C(=O)NS(=O)(=O)C1(C)CC1,8.44,5voj_protein.pt,5voj_pocket.pt,5voj_ligand.pt
1j4r,COC1=CC(=CC(OC)=C1OC)C(F)(F)C(=O)N1CCCCC1C(=O)OC(CCCC1C=CC=CC=1)CCCC1C=CC=NC=1,7.72,1j4r_protein.pt,1j4r_pocket.pt,1j4r_ligand.pt
5oa2,O=[N+]([O-])C1C=CC(=CC=1)COCC1=CN(N=N1)C1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O,5.01,5oa2_protein.pt,5oa2_pocket.pt,5oa2_ligand.pt
4av5,OCC1OC(OCC#CC2C=CC(=CC=2)C2C=CC=CC=2)C(O)C(O)C1O,7.21,4av5_protein.pt,4av5_pocket.pt,4av5_ligand.pt
1d4l,CC(C)CCN(CC(O)C1CC2C=CC(=CC=2)OCCCCCC(=O)NC(C(=O)N1)C(C)C)S(=O)(=O)C1C=CC(N)=CC=1,8.77,1d4l_protein.pt,1d4l_pocket.pt,1d4l_ligand.pt
1o2q,N=[C+](=N)C1C=C2C=C(NC2=CC=1Cl)C1=CC=CC(OC2CCCC2)=C1O,7.68,1o2q_protein.pt,1o2q_pocket.pt,1o2q_ligand.pt
1dmp,NC1=CC=CC(=C1)CN1C(=O)N(CC2C=C(N)C=CC=2)C(CC2C=CC=CC=2)C(O)C(O)C1CC1C=CC=CC=1,9.55,1dmp_protein.pt,1dmp_pocket.pt,1dmp_ligand.pt
4cpr,C=CCNC(=O)C(NC(=O)C(O)(CCC[NH+](CC1C=CC(=CC=1)C1=CC=CS1)NC(=O)C(NC(=O)OC)C(C)(C)C)CC1C=CC(=CC=1)CC=C)C(C)C,7.46,4cpr_protein.pt,4cpr_pocket.pt,4cpr_ligand.pt
1c5q,N=[C+](=N)C1=CC2C(I)=CC=CC=2S1,6.36,1c5q_protein.pt,1c5q_pocket.pt,1c5q_ligand.pt
1cps,CS(=N)(=N)CC(CC1C=CC=CC=1)C(=O)[O-],6.66,1cps_protein.pt,1cps_pocket.pt,1cps_ligand.pt
4mmp,CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)CO)C(=O)[O-],7.71,4mmp_protein.pt,4mmp_pocket.pt,4mmp_ligand.pt
3ni5,NS(=O)(=O)C1=NN=C(NS(=O)(=O)C2C=C(C=CC=2)C(=O)OCCCCO[N+](=O)[O-])S1,7.55,3ni5_protein.pt,3ni5_pocket.pt,3ni5_ligand.pt
4k3n,[NH3+]C(C1C=CC(=CC=1)N1C=CC=N1)P(=O)(=O)=O,7.96,4k3n_protein.pt,4k3n_pocket.pt,4k3n_ligand.pt
5mrb,CCC1=CC=CC(CC)=C1NC(=O)C1=NN(C)C2C3=NC(=NC=C3C=CC=21)NC1=CC=C(C=C1OC)N1CC[NH+](C)CC1,6.33,5mrb_protein.pt,5mrb_pocket.pt,5mrb_ligand.pt
3hs4,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,8.0,3hs4_protein.pt,3hs4_pocket.pt,3hs4_ligand.pt
3e5u,O=C([O-])CC1=CC=C(O)C(Cl)=C1,5.85,3e5u_protein.pt,3e5u_pocket.pt,3e5u_ligand.pt
4yb5,[NH3+]C(CC1=CNC=N1)C(=O)[O-],4.71,4yb5_protein.pt,4yb5_pocket.pt,4yb5_ligand.pt
5nk8,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)NC2CC(C)(C)[N+](=O)C(C)(C)C2)S1,6.64,5nk8_protein.pt,5nk8_pocket.pt,5nk8_ligand.pt
5tcj,N#CC1[NH2+]C(CO)C1C1C=CC(=CC=1)C1=CC=CC=C1F,7.38,5tcj_protein.pt,5tcj_pocket.pt,5tcj_ligand.pt
4lm0,O=[N+]([O-])C1C=CC2=NNC=C2C=1,3.25,4lm0_protein.pt,4lm0_pocket.pt,4lm0_ligand.pt
2xog,NC1N=CN=C2C=1N=CN2C1OC(C(O)NS(=O)(=O)CC2C(CO)OC(C2O)N2C=CC(=O)NC2=O)C(O)C1O,3.43,2xog_protein.pt,2xog_pocket.pt,2xog_ligand.pt
1hxb,CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C(CC1C=CC=CC=1)NC(=O)C(CC(N)=O)NC(=O)C1=CC=C2C=CC=CC2=N1,9.92,1hxb_protein.pt,1hxb_pocket.pt,1hxb_ligand.pt
5lwm,CN(C)C(=O)C(C#N)CC1=CC=C(O1)C1=NC2=CN=C3NC=CC3=C2N1C1CCCCC1,8.87,5lwm_protein.pt,5lwm_pocket.pt,5lwm_ligand.pt
1m0q,CC1=NC=C(COP(=O)(=O)=O)C(C=NC(C)P(=O)(=O)=O)=C1O,3.89,1m0q_protein.pt,1m0q_pocket.pt,1m0q_ligand.pt
4y5d,COC(=O)C1=CC=CC(=C1)C1=CC2C(=O)NC=CC=2O1,5.92,4y5d_protein.pt,4y5d_pocket.pt,4y5d_ligand.pt
2vt3,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.15,2vt3_protein.pt,2vt3_pocket.pt,2vt3_ligand.pt
2y7z,C[NH+](C)C1CCC2C=C(C=CC=21)N1CCC(NS(=O)(=O)C2C=CC3C=C(Cl)C=CC=3C=2)C1=O,8.7,2y7z_protein.pt,2y7z_pocket.pt,2y7z_ligand.pt
2pvh,C1=CC=C(C=C1)NC1=NC2=CC=NN2C(=N1)NC1C=CC=CC=1,6.59,2pvh_protein.pt,2pvh_pocket.pt,2pvh_ligand.pt
5ltn,O=C([O-])C(=O)CC(=O)C1C=CC=CC=1,5.27,5ltn_protein.pt,5ltn_pocket.pt,5ltn_ligand.pt
1d6w,NC1=NC=C(N1)C1CCC(CC1)NC(=O)C1C=CCN2C(=O)N(CCS(=O)(=O)C3C=CC=CC=3)C(=O)N12,5.96,1d6w_protein.pt,1d6w_pocket.pt,1d6w_ligand.pt
4tu4,CC1=NOC(C)=C1C1C=C(C=C(C=1)NS(=O)(=O)C1C=CC=CC=1)C(=O)[O-],3.76,4tu4_protein.pt,4tu4_pocket.pt,4tu4_ligand.pt
6d5h,CC1=CC(=CC(C)=C1F)CN1C2=CC(Cl)=CC(C3=CC=CC=C3Cl)=C2N=C1N1CC[NH2+]CC1,6.92,6d5h_protein.pt,6d5h_pocket.pt,6d5h_ligand.pt
1o3l,NC(=[NH2+])C1=CC=C2NC(=CC2=C1)C1=CC(=CC(Br)=C1O)CC(=O)[O-],6.54,1o3l_protein.pt,1o3l_pocket.pt,1o3l_ligand.pt
2ca8,[NH3+]C(CCC(=O)NC(CS)C(=O)NCC(=O)[O-])C(=O)[O-],4.66,2ca8_protein.pt,2ca8_pocket.pt,2ca8_ligand.pt
1f0u,COC(=O)C(CC1C=CC=C(C=1)[C+](=N)=N)C(C)NC(=O)C1C=CC(=CC=1)C1C=C(C=CC=1)C[NH3+],7.16,1f0u_protein.pt,1f0u_pocket.pt,1f0u_ligand.pt
6f20,CCOC(=O)C1=CC=NC2NC=CC=21,4.31,6f20_protein.pt,6f20_pocket.pt,6f20_ligand.pt
5nxg,NS(=O)(=O)C1C=CC(=CC=1)NC(=O)C1=CC=C(C=C1Cl)[N+](=O)[O-],8.55,5nxg_protein.pt,5nxg_pocket.pt,5nxg_ligand.pt
1nli,NC1=NC=NC2N=CNC=21,3.59,1nli_protein.pt,1nli_pocket.pt,1nli_ligand.pt
2y7x,O=C1C(CCN1C1=CC=C2C[NH2+]CCC2=C1F)NS(=O)(=O)C1C=CC2C=C(Cl)C=CC=2C=1,8.89,2y7x_protein.pt,2y7x_pocket.pt,2y7x_ligand.pt
3gnw,CC1C=CC=C(N=1)C(=O)N1C2=CC=CC(O)=C2NC2CC(C)(C)CS(=O)(=O)C=2C1C1C=CC(=CC=1F)OCC1C=CC=CC=1,9.1,3gnw_protein.pt,3gnw_pocket.pt,3gnw_ligand.pt
1oyt,N=[C+](=N)C1C=CC(=CC=1)C1C2C(=O)N(CC3C=CC(F)=CC=3)C(=O)C2C2CCC[NH+]21,7.24,1oyt_protein.pt,1oyt_pocket.pt,1oyt_ligand.pt
4zbf,O=C([O-])C1=C(CCCOC2=CC=CC3=CC=CC=C32)C2=CC=CC3=C2N1CCC[S+]3O,7.13,4zbf_protein.pt,4zbf_pocket.pt,4zbf_ligand.pt
6cze,O=C1NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.03,6cze_protein.pt,6cze_pocket.pt,6cze_ligand.pt
2yb0,O=C1C=CN(C(=O)N1)C1CC(O)C(CO)O1,3.85,2yb0_protein.pt,2yb0_pocket.pt,2yb0_ligand.pt
2xda,O=C([O-])C1(O)CC(O)C(O)C2SC(=CC=21)CCC1CC1,6.22,2xda_protein.pt,2xda_pocket.pt,2xda_ligand.pt
6ced,CN1C(=O)C2=CC=CC=C2N=C1CCC(=O)[O-],5.82,6ced_protein.pt,6ced_pocket.pt,6ced_ligand.pt
3d8w,NS(=O)(=O)C1=NN=C(NS(=O)(=O)C2C=CC=CC=2)S1,8.15,3d8w_protein.pt,3d8w_pocket.pt,3d8w_ligand.pt
5lny,CN(C(=O)C1C=C2C(=CC=1O)NN=C2C(=O)N1CCCCC1)C1C=CC(=CC=1)N1CCOCC1,7.38,5lny_protein.pt,5lny_pocket.pt,5lny_ligand.pt
5eh5,CC1C=CN=C(N=1)S(N)(=O)=O,5.87,5eh5_protein.pt,5eh5_pocket.pt,5eh5_ligand.pt
5fdi,NS(=O)(=O)NCC1=CS(=O)(=O)C2=CC=CC=C12,7.73,5fdi_protein.pt,5fdi_pocket.pt,5fdi_ligand.pt
2oym,CN(C)C1C=CC(=CC=1)C(=O)NCC1[NH2+]C(CO)C(O)C1O,5.0,2oym_protein.pt,2oym_pocket.pt,2oym_ligand.pt
1x39,OCC1C(O)C(O)C(O)C2=NC(=CN21)CNC1C=CC=CC=1,9.22,1x39_protein.pt,1x39_pocket.pt,1x39_ligand.pt
5anu,CNC1=NC2=NC3=C1NC(=O)N3CC1C=CC=C(C=1)OCCOCCO2,9.4,5anu_protein.pt,5anu_pocket.pt,5anu_ligand.pt
1hms,CCCCCCCCC=CCCCCCCCC(=O)[O-],6.37,1hms_protein.pt,1hms_pocket.pt,1hms_ligand.pt
6h1u,[NH3+]C(CC(=O)[O-])C(=O)[O-],5.32,6h1u_protein.pt,6h1u_pocket.pt,6h1u_ligand.pt
5nxp,CN(CC(=O)NC1C=CC(=CC=1)S(N)(=O)=O)C1C=CC=CC=1,7.99,5nxp_protein.pt,5nxp_pocket.pt,5nxp_ligand.pt
6faa,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.75,6faa_protein.pt,6faa_pocket.pt,6faa_ligand.pt
2wgj,CC(OC1=CC(=CN=C1N)C1C=NN(C=1)C1CC[NH2+]CC1)C1C(Cl)=CC=C(F)C=1Cl,8.7,2wgj_protein.pt,2wgj_pocket.pt,2wgj_ligand.pt
4xmr,CCC(C)C([NH3+])C(=O)[O-],4.07,4xmr_protein.pt,4xmr_pocket.pt,4xmr_ligand.pt
4ew3,CSC(CCCC1C(=[NH2+])NC(=[NH2+])NC1=O)C1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],6.74,4ew3_protein.pt,4ew3_pocket.pt,4ew3_ligand.pt
2whp,NC(=O)C1C=C[N+](=CC=1)COC[N+]1C=CC=CC=1,4.0,2whp_protein.pt,2whp_pocket.pt,2whp_ligand.pt
3pck,O=C([O-])C1C=CC(=O)N(O)C=1,6.7,3pck_protein.pt,3pck_pocket.pt,3pck_ligand.pt
4u69,CCCC(C)C([NH3+])P(=O)(=O)=O,4.26,4u69_protein.pt,4u69_pocket.pt,4u69_ligand.pt
5e1s,COCC[NH+]1CC[NH+](CCN2C=CC(=N2)NC2=NC=C3C(=N2)C2C(CC3C)=NN(C)C=2C2C=CC=CC=2)CC1,7.92,5e1s_protein.pt,5e1s_pocket.pt,5e1s_ligand.pt
1c5x,N=[C+](=N)C1=CC2C(I)=CC=CC=2S1,6.68,1c5x_protein.pt,1c5x_pocket.pt,1c5x_ligand.pt
3o75,O=P(=O)(=O)OCC1(O)OC(CO)C(O)C1O,6.68,3o75_protein.pt,3o75_pocket.pt,3o75_ligand.pt
4msc,C1=CN=C2C=C(C=CC2=C1)OCC1C=CC2C=CC=CC=2N=1,5.96,4msc_protein.pt,4msc_pocket.pt,4msc_ligand.pt
1v0k,OC1C[NH2+]CC(OC2OCC(O)C(O)C2O)C1O,5.1,1v0k_protein.pt,1v0k_pocket.pt,1v0k_ligand.pt
2vxn,O=C(COP(=O)(=O)=O)NO,5.0,2vxn_protein.pt,2vxn_pocket.pt,2vxn_ligand.pt
1gjc,N=[C+](=N)C1C=CC2N=C(NC=2C=1)C1=CC=CC(C2C=CC=CC=2)=C1O,6.35,1gjc_protein.pt,1gjc_pocket.pt,1gjc_ligand.pt
4g8m,[NH3+]C(C(=O)[O-])C1CCC1C(=O)[O-],7.89,4g8m_protein.pt,4g8m_pocket.pt,4g8m_ligand.pt
3ff3,[NH3+]C(CCC(=O)[O-])C(=O)[O-],3.57,3ff3_protein.pt,3ff3_pocket.pt,3ff3_ligand.pt
6cjv,OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl,5.66,6cjv_protein.pt,6cjv_pocket.pt,6cjv_ligand.pt
3n35,CC(=O)NC1C(O)OC(CO)C(O)C1O,3.37,3n35_protein.pt,3n35_pocket.pt,3n35_ligand.pt
2c92,O=C1NC(=O)C2=C(N1)N(CC(O)C(O)C(O)CO)C(=O)N2CCCCCOP(=O)(=O)=O,5.68,2c92_protein.pt,2c92_pocket.pt,2c92_ligand.pt
4oks,COC1=CC=C(C=C1CN1C=C(CC(=O)[O-])C2C=CC(=CC=21)C1C=C(N)C=C(N)C=1)[N+](=O)[O-],4.48,4oks_protein.pt,4oks_pocket.pt,4oks_ligand.pt
2jg0,OCC1OC(NC2=NC3C(S2)C(O)C(O)C3(O)CO)C(O)C(O)C1O,7.82,2jg0_protein.pt,2jg0_pocket.pt,2jg0_ligand.pt
1fv0,COC1=C(O)C=CC2=C1C=C(C1=C(C=C3OCOC3=C21)C(=O)[O-])[N+](=O)[O-],5.93,1fv0_protein.pt,1fv0_pocket.pt,1fv0_ligand.pt
6b4n,COC(=O)C1=COC(=N1)C1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12,10.55,6b4n_protein.pt,6b4n_pocket.pt,6b4n_ligand.pt
1yqy,CC1C=C(C=CC=1F)S(=O)(=O)NC(C(=O)NO)C1CCOCC1,7.62,1yqy_protein.pt,1yqy_pocket.pt,1yqy_ligand.pt
5l8c,COC1=CC=C(C=C1C1C=CC(=CC=1)C(=O)NCC(N)=O)C1=NN(C(=O)C2CC=CCC12)C(C)C,7.0,5l8c_protein.pt,5l8c_pocket.pt,5l8c_ligand.pt
6elo,CCC1=CC(=C(O)C=C1O)C1NN=C(C)C=1C1=CC=CC=C1F,6.29,6elo_protein.pt,6elo_pocket.pt,6elo_ligand.pt
4m2v,CC[NH2+]C1CN(CCCOC)S(=O)(=O)C2SC(=CC=21)S(N)(=O)=O,7.44,4m2v_protein.pt,4m2v_pocket.pt,4m2v_ligand.pt
1qft,[NH3+]CCC1=CNC=N1,8.77,1qft_protein.pt,1qft_pocket.pt,1qft_ligand.pt
5ovx,O=P(=O)(=O)C(O)C1C=CC(=CC=1)C1C=CC=C(C=1)C(O)C1C=CC(Cl)=C(Cl)C=1,4.5,5ovx_protein.pt,5ovx_pocket.pt,5ovx_ligand.pt
2qwf,CCCN(C)C(=O)C1OC(=CC(NC(N)=[NH2+])C1NC(C)=O)C(=O)[O-],5.67,2qwf_protein.pt,2qwf_pocket.pt,2qwf_ligand.pt
3n2p,NS(=O)(=O)C1C=CC(=CC=1)NC(=O)NC1C=CC=C(C=1)[N+](=O)[O-],7.82,3n2p_protein.pt,3n2p_pocket.pt,3n2p_ligand.pt
5b25,CN1C(=O)C2C(=NN(CC3C=CC(=CC=3)C3C=CC=C(F)N=3)C=2NC2C=CC=CC=2)N2[C+]1NC1CCCC12,10.24,5b25_protein.pt,5b25_pocket.pt,5b25_ligand.pt
5hjq,O=P(=O)(=O)OC1C(O)C(O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,4.72,5hjq_protein.pt,5hjq_pocket.pt,5hjq_ligand.pt
1bnq,CC[NH2+]C1CN(CCOC)S(=O)(=O)C2SC(=CC=21)S(N)(=O)=O,9.49,1bnq_protein.pt,1bnq_pocket.pt,1bnq_ligand.pt
5afv,C1=CC=C(C=C1)CN[N+]1C=NN(C=1)CC1C=CC=CC=1,5.59,5afv_protein.pt,5afv_pocket.pt,5afv_ligand.pt
3r6u,C[N+](C)(C)CCO,4.52,3r6u_protein.pt,3r6u_pocket.pt,3r6u_ligand.pt
3v7x,COC1=CC=C(C=C1OC)CCNC(=O)C1C=CC(=CC=1)S(N)(=O)=O,8.57,3v7x_protein.pt,3v7x_pocket.pt,3v7x_ligand.pt
2jew,CCCN1C=NC(=C1)CC(CCC[NH3+])C(=O)[O-],6.69,2jew_protein.pt,2jew_pocket.pt,2jew_ligand.pt
6fe0,NS(=O)(=O)C1C(F)=C(F)C(SCCO)=C(F)C=1NC1CCCCCCC1,6.48,6fe0_protein.pt,6fe0_pocket.pt,6fe0_ligand.pt
3dp4,CC1ONC(=O)C=1CC([NH3+])C(=O)[O-],7.37,3dp4_protein.pt,3dp4_pocket.pt,3dp4_ligand.pt
2f9k,O=P(=O)(=O)C(O)(CN1C=CN=C1)P(=O)(=O)=O,7.07,2f9k_protein.pt,2f9k_pocket.pt,2f9k_ligand.pt
1qbo,CC(=N)N1CCC(CC1)OC1C=CC2N=C(C)N(CC3C=CC4=CC=C(C=C4C=3)[C+](=N)=N)C=2C=1,7.74,1qbo_protein.pt,1qbo_pocket.pt,1qbo_ligand.pt
3ibi,CCCCCCCCOS(N)(=O)=O,8.59,3ibi_protein.pt,3ibi_pocket.pt,3ibi_ligand.pt
3ekx,CC1C(=O)C=CC=C1C(=O)NC(CSC1C=CC=CC=1)C(O)C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C,9.41,3ekx_protein.pt,3ekx_pocket.pt,3ekx_ligand.pt
4do5,OCC1[NH2+]CC(O)C(O)C1O,5.83,4do5_protein.pt,4do5_pocket.pt,4do5_ligand.pt
1d2e,NC1=NC2=C(N=CN2C2OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C2O)C(=O)N1,6.0,1d2e_protein.pt,1d2e_pocket.pt,1d2e_ligand.pt
4q83,ON1C=CC=C(C1=S)C(F)(F)F,4.19,4q83_protein.pt,4q83_pocket.pt,4q83_ligand.pt
4cj4,CC(C)CC(CNC(=O)C1C=CN=CC=1)CC1C=CC2OCOC=2C=1C(=O)[O-],3.36,4cj4_protein.pt,4cj4_pocket.pt,4cj4_ligand.pt
4g0p,O=C1CCN(C(=O)N1)C1OC(COP(=O)(=O)=O)C(O)C1O,3.01,4g0p_protein.pt,4g0p_pocket.pt,4g0p_ligand.pt
1pb8,[NH3+]C(CO)C(=O)[O-],5.15,1pb8_protein.pt,1pb8_pocket.pt,1pb8_ligand.pt
4n7m,O=C1NC(CC2C=CC=CC=21)=[N+]1CCCC1,5.47,4n7m_protein.pt,4n7m_pocket.pt,4n7m_ligand.pt
5mge,CCOC(=O)C1CN(C)C(=O)CC=1Cl,4.06,5mge_protein.pt,5mge_pocket.pt,5mge_ligand.pt
2zxd,CC(C)C1[NH2+]CC(O)C(O)C1O,5.22,2zxd_protein.pt,2zxd_pocket.pt,2zxd_ligand.pt
4zw6,CN1C=C(C=N1)C1C=CC(=CC=1)C(NC(=O)OC(C)(C)C)C(=O)NO,5.72,4zw6_protein.pt,4zw6_pocket.pt,4zw6_ligand.pt
4cwo,NC1=N[N+]2C(CC3C=C(O)C=C(O)C=3)=NC3=CC=CC=C3C=2N1,5.21,4cwo_protein.pt,4cwo_pocket.pt,4cwo_ligand.pt
4qgi,CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C(CC1C=CCCC1)NC(=O)C(CC(N)=O)NC(=O)C1=CCC2=CC=CC=C2N1,3.9,4qgi_protein.pt,4qgi_pocket.pt,4qgi_ligand.pt
5nn6,OCC[NH+]1CC(O)C(O)C(O)C1CO,5.52,5nn6_protein.pt,5nn6_pocket.pt,5nn6_ligand.pt
5ula,COC1C=CC(=CC=1)NC(=O)C1C=C(Cl)C(=CC=1)NC1CCC(=O)C=1C,7.11,5ula_protein.pt,5ula_pocket.pt,5ula_ligand.pt
1moq,[NH3+]C1C(O)OC(COP(=O)(=O)=O)C(O)C1O,3.46,1moq_protein.pt,1moq_pocket.pt,1moq_ligand.pt
4bqs,O=C([O-])C1=CC2OCC=CC(O)(C1)C2O,4.21,4bqs_protein.pt,4bqs_pocket.pt,4bqs_ligand.pt
2vwl,O=C(C[NH+]1CC(CC1CO)NC(=O)C1=CC=C(Cl)S1)NC1=CC=C(C=C1F)N1C=CC=CC1=O,7.02,2vwl_protein.pt,2vwl_pocket.pt,2vwl_ligand.pt
1ik4,O=C(COP(=O)(=O)=O)NO,7.41,1ik4_protein.pt,1ik4_pocket.pt,1ik4_ligand.pt
2xej,COCCOCCOCCOCCOCC1=CN(CCCCC(NC(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])N=N1,8.87,2xej_protein.pt,2xej_pocket.pt,2xej_ligand.pt
3mjl,NC1=NC=CN1,2.44,3mjl_protein.pt,3mjl_pocket.pt,3mjl_ligand.pt
4qlk,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,3.24,4qlk_protein.pt,4qlk_pocket.pt,4qlk_ligand.pt
1lrh,O=C([O-])CC1C=CC=C2C=CC=CC=12,6.82,1lrh_protein.pt,1lrh_pocket.pt,1lrh_ligand.pt
1lpz,CC1=CC=CC2=C1C=C(C(=O)NCC1C=C(Cl)C=C(Cl)C=1)N2CC1=CC=CC(=C1)[C+](=N)=N,7.6,1lpz_protein.pt,1lpz_pocket.pt,1lpz_ligand.pt
5ect,O=C1C=CN(C(=O)N1)C1CC(O)C(CO[P](=O)(=O)N[P](=O)(=O)OP(=O)(=O)=O)O1,5.28,5ect_protein.pt,5ect_pocket.pt,5ect_ligand.pt
6edr,NC(=O)C1C=CCN(C=1)C1SC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2O)N2C=NC3C(N)=NC=NC=32)C(O)C1O,4.55,6edr_protein.pt,6edr_pocket.pt,6edr_ligand.pt
4mul,COC1=CC=C2C(=C1)C=C(C(=O)NS(=O)(=O)C1C=CC3=CC=CC=C3C=1)N2CC(=O)[O-],6.21,4mul_protein.pt,4mul_pocket.pt,4mul_ligand.pt
2py4,O=C1C=CN(C(=O)N1)C1CC(O)C(CO[P](=O)(=O)N[P](=O)(=O)OP(=O)(=O)=O)O1,6.7,2py4_protein.pt,2py4_pocket.pt,2py4_ligand.pt
3uj9,C[N+](C)(C)CCOP(=O)(=O)=O,4.63,3uj9_protein.pt,3uj9_pocket.pt,3uj9_ligand.pt
1u1b,CC1=CN(C(=O)NC1=O)C1CC(O[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2OP(=O)(=O)=O)N2C=NC3C2=NC=NC=3N)C(COP(=O)(=O)=O)O1,7.8,1u1b_protein.pt,1u1b_pocket.pt,1u1b_ligand.pt
2yek,CCNC(=O)CC1N=C(C2C=CC(Cl)=CC=2)C2C=C(C=CC=2N2C(C)=NN=C12)OC,7.21,2yek_protein.pt,2yek_pocket.pt,2yek_ligand.pt
5lvr,CC1=NN(N=C1C(N)=O)C1C=CC=CC=1,3.6,5lvr_protein.pt,5lvr_pocket.pt,5lvr_ligand.pt
4qll,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,3.38,4qll_protein.pt,4qll_pocket.pt,4qll_ligand.pt
4b7p,C[NH+]1CCC(CC1)NC(=O)C1C=C(ON=1)C1C(O)=CC(O)=CC=1OC1C=CC(=CC=1)[N+](=O)[O-],9.46,4b7p_protein.pt,4b7p_pocket.pt,4b7p_ligand.pt
1mrw,CC1C(=CC=CC=1O)C(=O)NC(CC1C=CC=CC=1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NC(C)(C)C,9.7,1mrw_protein.pt,1mrw_pocket.pt,1mrw_ligand.pt
3b7j,O=C1C=CC(=O)C2C(O)=CC=CC=21,5.17,3b7j_protein.pt,3b7j_pocket.pt,3b7j_ligand.pt
2gsu,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1O,3.59,2gsu_protein.pt,2gsu_pocket.pt,2gsu_ligand.pt
2g5u,OC1C(Cl)=CC(=CC=1Cl)C1C=C(Cl)C(O)=C(Cl)C=1,8.49,2g5u_protein.pt,2g5u_pocket.pt,2g5u_ligand.pt
2jxr,CCCCC(NC(=O)C(CC1C=CC=CC=1)NC(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NC,7.05,2jxr_protein.pt,2jxr_pocket.pt,2jxr_ligand.pt
1h2t,CN1CN(C2N=C(N)NC(=O)C=21)C1OC(CO[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)OCC2OC(C(O)C2O)N2C=NC3C(=O)NC(N)=NC=32)C(O)C1O,7.89,1h2t_protein.pt,1h2t_pocket.pt,1h2t_ligand.pt
4ybk,CC1=NC(=CC(=N1)N1CC[NH+](CCO)CC1)NC1=NC=C(S1)C(=O)NC1C=CC(=CC=1)OC1C=CC=CC=1,7.82,4ybk_protein.pt,4ybk_pocket.pt,4ybk_ligand.pt
3ppq,C[N+](C)(C)CCO,4.55,3ppq_protein.pt,3ppq_pocket.pt,3ppq_ligand.pt
3f15,COC1C=CC(=CC=1)S(=O)(=O)N(CC(=O)NO)CC(O)CO,8.1,3f15_protein.pt,3f15_pocket.pt,3f15_ligand.pt
5c2h,CC1=NC(C)=C(CNC2N=C(N=C(Cl)C=2C)OCCCC2=CC=C3C=CC=CC3=N2)S1,11.09,5c2h_protein.pt,5c2h_pocket.pt,5c2h_ligand.pt
1drj,OC1COC(O)C(O)C1O,7.4,1drj_protein.pt,1drj_pocket.pt,1drj_ligand.pt
2vmf,OCC1C(O)C(O)C(O)C2=NC=CN21,5.85,2vmf_protein.pt,2vmf_pocket.pt,2vmf_ligand.pt
3s6t,CC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,7.35,3s6t_protein.pt,3s6t_pocket.pt,3s6t_ligand.pt
4dju,CN1C(=O)C(N[C+]1=N)(C1C=CC=CC=1)C1C=CC=CC=1,5.44,4dju_protein.pt,4dju_pocket.pt,4dju_ligand.pt
5kab,O=C([O-])C(=O)NC1SC2C=NC=CC=2C=1C(=O)[O-],4.68,5kab_protein.pt,5kab_pocket.pt,5kab_ligand.pt
3ag9,NC(=[NH2+])NCCCC(NC(=O)C(CCCNC(N)=[NH2+])NC(=O)CCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCNC(=O)C1OC(C(O)C1O)N1C=NC2C1=NC=NC=2N)C(N)=O,8.05,3ag9_protein.pt,3ag9_pocket.pt,3ag9_ligand.pt
4io3,[NH3+]C(CC(=O)[O-])C(=O)[O-],6.06,4io3_protein.pt,4io3_pocket.pt,4io3_ligand.pt
5fsc,C=CCOC1OC(CO)C(OC)C(O)C1O,2.36,5fsc_protein.pt,5fsc_pocket.pt,5fsc_ligand.pt
5wbm,CC1=CNC2=NC=NC(=C12)N1CCCC(CO)C1,4.7,5wbm_protein.pt,5wbm_pocket.pt,5wbm_ligand.pt
5nkg,CCC1=CC(=CC(=C1)NC1=NC=C(S1)C(=O)NC1C(C)=CC=CC=1Cl)C(=O)NC1CC[NH2+]CC1,7.68,5nkg_protein.pt,5nkg_pocket.pt,5nkg_ligand.pt
4myd,O=C([O-])CCC(=O)C1=CC=CC(O)C1C(=O)[O-],4.55,4myd_protein.pt,4myd_pocket.pt,4myd_ligand.pt
4mre,CC1=CC=CC(N)=C1N,2.19,4mre_protein.pt,4mre_pocket.pt,4mre_ligand.pt
1ctu,O=C1NC(O)C=CN1C1OC(CO)C(O)C1O,11.92,1ctu_protein.pt,1ctu_pocket.pt,1ctu_ligand.pt
3pb9,C1=CC=C(C=C1)CN1C=CN=C1,6.58,3pb9_protein.pt,3pb9_pocket.pt,3pb9_ligand.pt
1hxw,CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(=O)NC(CC1C=CC=CC=1)CC(O)C(CC1C=CC=CC=1)NC(=O)OCC1=CN=CS1)C(C)C,10.82,1hxw_protein.pt,1hxw_pocket.pt,1hxw_ligand.pt
4np3,CC1N=CNC=1C[NH+]1CCC2C=CC=C(N)C=2C1,3.3,4np3_protein.pt,4np3_pocket.pt,4np3_ligand.pt
2zq0,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1[NH2+]C1C=C(CO)C(O)C(O)C1O,6.82,2zq0_protein.pt,2zq0_pocket.pt,2zq0_ligand.pt
4ufh,OCC1C[NH2+]CC(O)C1O,6.42,4ufh_protein.pt,4ufh_pocket.pt,4ufh_ligand.pt
2p7z,CCC(C1C=CC=CC=1)=C(C1C=CC(O)=CC=1)C1C=CC(=CC=1)OCC[NH+](C)C,6.58,2p7z_protein.pt,2p7z_pocket.pt,2p7z_ligand.pt
5h8g,CC(=O)NC1=CC(=CC=C1N(C)CC[NH+](C)C)NC1C=C(NC2C=C2)N2N=CC(C#N)=C2N=1,10.32,5h8g_protein.pt,5h8g_pocket.pt,5h8g_ligand.pt
4rsk,O=C1C=CN(C(=O)N1)C1OC(CO)C(OP(=O)(=O)=O)C1O,4.32,4rsk_protein.pt,4rsk_pocket.pt,4rsk_ligand.pt
1k21,NC(=[NH2+])NCCCNC(=O)C1CCCCN1C(=O)C(CC1CCCCC1)[NH2+]CC(=O)[O-],8.38,1k21_protein.pt,1k21_pocket.pt,1k21_ligand.pt
5fso,CN=C1CC(=O)NC(=O)N1,6.09,5fso_protein.pt,5fso_pocket.pt,5fso_ligand.pt
3jzj,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1[NH2+]C1C=C(CO)C(O)C(O)C1O,3.61,3jzj_protein.pt,3jzj_pocket.pt,3jzj_ligand.pt
4h7q,CC(C)CC(=O)C(=O)[O-],5.06,4h7q_protein.pt,4h7q_pocket.pt,4h7q_ligand.pt
3f37,CC1=CC=CC(C)=C1O,2.62,3f37_protein.pt,3f37_pocket.pt,3f37_ligand.pt
1pot,[NH3+]CCCC[NH2+]CCC[NH3+],5.49,1pot_protein.pt,1pot_pocket.pt,1pot_ligand.pt
1pyn,COC(=O)C1C(=CC=CC=1O)OCCCCNC(=O)C(CC1C=CC(=CC=1)OC(C(=O)[O-])C(=O)[O-])NC(=O)OC(C)(C)C,5.49,1pyn_protein.pt,1pyn_pocket.pt,1pyn_ligand.pt
5kqy,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OC=CC12)S(=O)(=O)C1C=CC(N)=CC=1,9.29,5kqy_protein.pt,5kqy_pocket.pt,5kqy_ligand.pt
4dkp,[NH3+]C1CC2C=CC=CC=2C1NC(=O)C(=O)NC1C=CC(Cl)=C(F)C=1,5.72,4dkp_protein.pt,4dkp_pocket.pt,4dkp_ligand.pt
5y13,O=C([O-])CCCCNS(=O)(=O)C1C=CC(Br)=C2C=CC=CC=12,5.94,5y13_protein.pt,5y13_pocket.pt,5y13_ligand.pt
1azm,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,6.1,1azm_protein.pt,1azm_pocket.pt,1azm_ligand.pt
6eqp,CC[NH+](CC)C(C)CN1C2=CC=CC=C2SC2C=CC=CC=21,5.96,6eqp_protein.pt,6eqp_pocket.pt,6eqp_ligand.pt
5mn1,NC1C=CC=CN=1,2.48,5mn1_protein.pt,5mn1_pocket.pt,5mn1_ligand.pt
2afx,C1=CC=C(C=C1)CN1C=CN=C1,5.15,2afx_protein.pt,2afx_pocket.pt,2afx_ligand.pt
4u6c,[NH3+]C(CCC1CCCC1)P(=O)(=O)=O,5.0,4u6c_protein.pt,4u6c_pocket.pt,4u6c_ligand.pt
1q8t,CC([NH3+])C1CCC(CC1)C(=O)NC1C=CN=CC=1,4.76,1q8t_protein.pt,1q8t_pocket.pt,1q8t_ligand.pt
5nkd,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)N2CCC(CC(=O)[O-])C2)S1,7.59,5nkd_protein.pt,5nkd_pocket.pt,5nkd_ligand.pt
3u9q,CCCCCCCCCC(=O)[O-],4.38,3u9q_protein.pt,3u9q_pocket.pt,3u9q_ligand.pt
2zy1,O=C(CP(=O)(=O)=O)NCCCC1=CC=CC(=C1)OC1C=CC=CC=1,7.4,2zy1_protein.pt,2zy1_pocket.pt,2zy1_ligand.pt
3hu3,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)O[P](=O)(=O)S)C(O)C1O,6.89,3hu3_protein.pt,3hu3_pocket.pt,3hu3_ligand.pt
3i51,OC1C=C(Cl)C(Cl)=CC=1O,7.7,3i51_protein.pt,3i51_pocket.pt,3i51_ligand.pt
1gi4,N=[C+](=N)C1C=CC2N=C(NC=2C=1)C1=CC=CC=C1O,7.19,1gi4_protein.pt,1gi4_pocket.pt,1gi4_ligand.pt
5ehv,O=C([O-])C=CC1C=CC=C(C=1)OCC1=CC=CC(=C1)CC(=O)[O-],3.08,5ehv_protein.pt,5ehv_pocket.pt,5ehv_ligand.pt
4i7l,OC1C=CC=CC=1,3.99,4i7l_protein.pt,4i7l_pocket.pt,4i7l_ligand.pt
5g4o,C[NH+](C)CC1C=CC2=C(C=1)C1C=CC=CC=1N2CC(F)(F)F,4.43,5g4o_protein.pt,5g4o_pocket.pt,5g4o_ligand.pt
4few,CC(C)(C)N1N=C(C2C=CC(Cl)=CC=2)C2C1=NC=NC=2N,5.21,4few_protein.pt,4few_pocket.pt,4few_ligand.pt
3d6o,O=C1C=CN(C(=O)N1)C1OC(C[NH+]2CCCCC2)C(O)C1O,4.11,3d6o_protein.pt,3d6o_pocket.pt,3d6o_ligand.pt
3gvb,O=C([O-])C1CC(=O)N(C1)C1C=CC=CC=1O,2.59,3gvb_protein.pt,3gvb_pocket.pt,3gvb_ligand.pt
3oyq,CCC(C)CCC(=O)NC1C=CC(=CC=1)S(N)(=O)=O,7.99,3oyq_protein.pt,3oyq_pocket.pt,3oyq_ligand.pt
2ewb,CC(CS)C(=O)N1CC(CC1C(=O)[O-])SC1C=CC=CC=1,6.1,2ewb_protein.pt,2ewb_pocket.pt,2ewb_ligand.pt
5uff,CC1OC(OC2C(OC(CO)C(O)C2O)OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,4.24,5uff_protein.pt,5uff_pocket.pt,5uff_ligand.pt
1ela,CC(C)C1C=CC(=CC=1)NC(=O)C1CCCN1C(=O)C(CCCC[NH3+])NC(=O)C(F)(F)F,6.36,1ela_protein.pt,1ela_pocket.pt,1ela_ligand.pt
4psb,C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)[O-],4.64,4psb_protein.pt,4psb_pocket.pt,4psb_ligand.pt
1jmg,O=C1C=CN(C(=O)N1)C1CC(O)C(COP(=O)(=O)=O)O1,6.07,1jmg_protein.pt,1jmg_pocket.pt,1jmg_ligand.pt
1v0l,OC1C[NH2+]CCC1OC1OCC(O)C(O)C1O,7.55,1v0l_protein.pt,1v0l_pocket.pt,1v0l_ligand.pt
2o4z,NS(=O)(=O)NO,6.25,2o4z_protein.pt,2o4z_pocket.pt,2o4z_ligand.pt
3rlr,COC1C=C(C(Cl)=CC=1Cl)C1N=C(C)N=C2NC(C)=C(C#N)C=12,7.52,3rlr_protein.pt,3rlr_pocket.pt,3rlr_ligand.pt
4p6x,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,7.04,4p6x_protein.pt,4p6x_pocket.pt,4p6x_ligand.pt
1pb9,[NH3+]C1CONC1=O,3.62,1pb9_protein.pt,1pb9_pocket.pt,1pb9_ligand.pt
6gw4,CC(CCC(=O)NCC(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,5.92,6gw4_protein.pt,6gw4_pocket.pt,6gw4_ligand.pt
4nuc,CC1=CC(=CC(C)=C1O)N=NC1C=CC(=CC=1)S(=O)(=O)NC1C=CC=CN=1,6.04,4nuc_protein.pt,4nuc_pocket.pt,4nuc_ligand.pt
4qsu,CC1C=NC(=O)NC1=O,2.0,4qsu_protein.pt,4qsu_pocket.pt,4qsu_ligand.pt
2cet,OCC1C(O)C(O)C(O)C2=NC(=CN21)CCC1C=CC=CC=1,8.02,2cet_protein.pt,2cet_pocket.pt,2cet_ligand.pt
4cd0,CC1N=C(SC=1C1C=NC(N)=C(C=1)OC(C)C1=CC(F)=CC=C1N1N=CC=N1)C(C)(O)CO,9.7,4cd0_protein.pt,4cd0_pocket.pt,4cd0_ligand.pt
5yj8,CN1C(=O)N(C)C2=CC(=CC=C21)C[NH3+],3.98,5yj8_protein.pt,5yj8_pocket.pt,5yj8_ligand.pt
5uk8,CC1COCCN1C1C=C(N=C(N=1)C1=CC=CC2NC=CC=21)C1(CC1)S(=O)(=O)C1C=C1,6.4,5uk8_protein.pt,5uk8_pocket.pt,5uk8_ligand.pt
2j7f,O=C([O-])C1=CN2C(=N1)C(O)C(O)C(O)C2CO,6.35,2j7f_protein.pt,2j7f_pocket.pt,2j7f_ligand.pt
4azb,CC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,7.24,4azb_protein.pt,4azb_pocket.pt,4azb_ligand.pt
2bt9,COC1OC(C)C(O)C(O)C1O,6.19,2bt9_protein.pt,2bt9_pocket.pt,2bt9_ligand.pt
1ql7,O=C(C1CCN(CC1)C1C=CN=CC=1)N1CCN(CC1)S(=O)(=O)C1C=CC2C=C(Cl)C=CC=2C=1,5.0,1ql7_protein.pt,1ql7_pocket.pt,1ql7_ligand.pt
4lkq,NC1=NC(S)=NC2NN=CC=21,3.35,4lkq_protein.pt,4lkq_pocket.pt,4lkq_ligand.pt
5e89,OCC1OC(SC2OC(CO)C(O)C(C2O)N2C=C(N=N2)C2C=CC=C(F)C=2)C(O)C(C1O)N1C=C(N=N1)C1C=C(F)C=CC=1,7.85,5e89_protein.pt,5e89_pocket.pt,5e89_ligand.pt
1xh5,CC1(C)CCC[NH2+]C1C1C=CC(O)=C(C(=O)C2C=CC(=CC=2)C(=O)NC2CCC[NH2+]CC2NC(=O)C2C=CN=CC=2)C=1F,5.47,1xh5_protein.pt,1xh5_pocket.pt,1xh5_ligand.pt
5eei,O=C(CCCCCCC(=O)NC1C=CC=CC=1)NO,9.22,5eei_protein.pt,5eei_pocket.pt,5eei_ligand.pt
5h1v,[NH3+]NC(=O)C1=CC=C2N=C(N[NH3+])SC2=C1,4.0,5h1v_protein.pt,5h1v_pocket.pt,5h1v_ligand.pt
2ax9,CC(O)(CBr)C(=O)NC1C=CC(=C(C=1)C(F)(F)F)[N+](=O)[O-],9.52,2ax9_protein.pt,2ax9_pocket.pt,2ax9_ligand.pt
5n18,CC1C=CC(=CC=1)NC1=C(N=C2C(C)=CC=CN21)C1C=CC(O)=CC=1,5.68,5n18_protein.pt,5n18_pocket.pt,5n18_ligand.pt
3ikd,O=C(NC(COP(=O)(=O)=O)CC1C=CC=CC=1)C1=CC2=CC=CC=C2S1,6.75,3ikd_protein.pt,3ikd_pocket.pt,3ikd_ligand.pt
4b7r,CCC(CC)OC1CC(CC([NH3+])C1NC(C)=O)C(=O)[O-],9.64,4b7r_protein.pt,4b7r_pocket.pt,4b7r_ligand.pt
3nee,CC1=CC(=CC(C)=C1CC1C=CC(O)=C(C=1)C(C)C)OCC(=O)[O-],5.34,3nee_protein.pt,3nee_pocket.pt,3nee_ligand.pt
3f78,FC(F)OC(Cl)C(F)(F)F,3.1,3f78_protein.pt,3f78_pocket.pt,3f78_ligand.pt
4bny,C1=CC=C(C=C1)C1=NC2C=CSC=2C(=N1)N1CCOCC1,7.1,4bny_protein.pt,4bny_pocket.pt,4bny_ligand.pt
5i9y,CC1=NC(=CC(=N1)N1CC[NH+](CCO)CC1)NC1=NC=C(S1)C(=O)NC1C(Cl)=CC=CC=1C,8.55,5i9y_protein.pt,5i9y_pocket.pt,5i9y_ligand.pt
6g98,NS(=O)(=O)C1C(F)=C(F)C(SCCC2C=CC(=CC=2)C(=O)[O-])=C(F)C=1NC1CCCCCCCCCCC1,6.15,6g98_protein.pt,6g98_pocket.pt,6g98_ligand.pt
5yhe,CC([NH2+]C(CC[NH2+]C(CC1=CN=CN1)C(=O)[O-])C(=O)[O-])C(=O)[O-],6.69,5yhe_protein.pt,5yhe_pocket.pt,5yhe_ligand.pt
1b38,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,6.6,1b38_protein.pt,1b38_pocket.pt,1b38_ligand.pt
5ne5,O=C1NC2C(O)C(O)C(O)C(CO)N2C1=O,7.41,5ne5_protein.pt,5ne5_pocket.pt,5ne5_ligand.pt
4zx0,COC(=O)C1CC(CN1S(=O)(=O)C1OC(=COC(C)=O)C(O)C(O)C1O)OS(N)(=O)=O,8.0,4zx0_protein.pt,4zx0_pocket.pt,4zx0_ligand.pt
1ec0,O=C(NC1C2=CC=CC=C2CC1O)C(OCC1=CC=CC=C1F)C(O)C(O)C(OCC1C=CC=CC=1F)C(=O)NC1C2=CC=CC=C2CC1O,8.49,1ec0_protein.pt,1ec0_pocket.pt,1ec0_ligand.pt
5eqp,C[NH+]1CCC[NH+](CC1)CC1=CC=C2N=CC=CC2=C1,5.4,5eqp_protein.pt,5eqp_pocket.pt,5eqp_ligand.pt
2wjg,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,7.1,2wjg_protein.pt,2wjg_pocket.pt,2wjg_ligand.pt
4e9u,N#CSCCOC1C=CC(=CC=1)OC1C=CC=CC=1,5.82,4e9u_protein.pt,4e9u_pocket.pt,4e9u_ligand.pt
5gof,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.05,5gof_protein.pt,5gof_pocket.pt,5gof_ligand.pt
5vja,CC(SC1=NC2=C(C=NN2C2C=CC=C(Cl)C=2)C(=O)N1)C(N)=O,6.59,5vja_protein.pt,5vja_pocket.pt,5vja_ligand.pt
1ajv,O=S1(=O)N(CC2C=CC=CC=2)C(COC2C=CC=CC=2)C(O)C(O)C(COC2C=CC=CC=2)N1CC1C=CC=CC=1,7.72,1ajv_protein.pt,1ajv_pocket.pt,1ajv_ligand.pt
4b5d,OCCC1CC1C1C=C(C=NC=1)OCC1CC[NH2+]1,7.89,4b5d_protein.pt,4b5d_pocket.pt,4b5d_ligand.pt
1g1d,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC1=CC=CC=C1F,9.44,1g1d_protein.pt,1g1d_pocket.pt,1g1d_ligand.pt
1m2p,O=C1C2=C(O)C=CC(=C2C(=O)C2C=CC=C(O)C=21)[N+](=O)[O-],6.11,1m2p_protein.pt,1m2p_pocket.pt,1m2p_ligand.pt
3p3r,O=C(C1C=C(O)C(O)=C(C=1)[N+](=O)[O-])C1=CC=CC=C1F,7.25,3p3r_protein.pt,3p3r_pocket.pt,3p3r_ligand.pt
5f62,CC1=CN=C(N=C1NC1=CC=C(Cl)C(=C1)NS(=O)(=O)C(C)(C)C)NC1C=CC(=C(F)C=1)N1CC[NH+](C)CC1,8.17,5f62_protein.pt,5f62_pocket.pt,5f62_ligand.pt
4j7d,CCOC1=CC(=CC=C1C1=NC(C)(C2C=CC(Cl)=CC=2)C(C)(N1)C1C=CC(Cl)=CC=1)C(C)(C)C,4.7,4j7d_protein.pt,4j7d_pocket.pt,4j7d_ligand.pt
3d1x,CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C(CC1C=CC=CC=1)NC(=O)C(CC(N)=O)NC(=O)C1C=CC2C=CC=CC=2N=1,8.66,3d1x_protein.pt,3d1x_pocket.pt,3d1x_ligand.pt
5tp0,N=NC1C=CC(=CC=1)[C+](=N)=N,5.44,5tp0_protein.pt,5tp0_pocket.pt,5tp0_ligand.pt
1g85,CCCCCC(O)CC,5.48,1g85_protein.pt,1g85_pocket.pt,1g85_ligand.pt
2sim,CC(=O)NC1C(O)C=C(OC1C(O)C(O)CO)C(=O)[O-],3.42,2sim_protein.pt,2sim_pocket.pt,2sim_ligand.pt
4ivb,CC(O)C1=NC2C=NC3NC=CC=3C=2N1C1CCC(C#N)CC1,8.72,4ivb_protein.pt,4ivb_pocket.pt,4ivb_ligand.pt
3buf,CC([NH3+])CC1C=CC(O)=CC=1,3.1,3buf_protein.pt,3buf_pocket.pt,3buf_ligand.pt
2bok,C[N+](C)(C)CCCN1C(=O)C2C(C1=O)C(C1C=CC(=CC=1)[C+](=N)=N)[NH+]1CCCC21,6.55,2bok_protein.pt,2bok_pocket.pt,2bok_ligand.pt
4uc5,[NH3+]C(CC1C=CC=CC=1)C(=O)[O-],5.48,4uc5_protein.pt,4uc5_pocket.pt,4uc5_ligand.pt
3cd0,CC(C)N1C(=NC(C2C=CC(F)=CC=2)=C1CCC(O)CC(O)CC(=O)[O-])C(=O)NCC1C=CC(F)=CC=1,7.57,3cd0_protein.pt,3cd0_pocket.pt,3cd0_ligand.pt
2qg2,CC1C=C(C#CC2=CC=CC=C2C=NN2CCOC2=O)N=C(N)N=1,5.4,2qg2_protein.pt,2qg2_pocket.pt,2qg2_ligand.pt
1gpk,CC=C1C2C=C(C)CC1([NH3+])C1C=CC(=O)NC=1C2,5.37,1gpk_protein.pt,1gpk_pocket.pt,1gpk_ligand.pt
4uye,COC1=CC=CC=C1C(=O)NC1=CC2=C(C=C1N1CCCCC1)N(C)C(=O)N2C,8.02,4uye_protein.pt,4uye_pocket.pt,4uye_ligand.pt
2ydt,OCC1OC(OCC2[NH2+]CC(O)C2O)C(O)C1O,5.52,2ydt_protein.pt,2ydt_pocket.pt,2ydt_ligand.pt
4ggz,O=C([O-])CCCCC1SCC2NC(=O)NC21,10.18,4ggz_protein.pt,4ggz_pocket.pt,4ggz_ligand.pt
2xxr,[NH3+]C(CCC(=O)[O-])C(=O)[O-],6.55,2xxr_protein.pt,2xxr_pocket.pt,2xxr_ligand.pt
4kfq,O=C1NC2C=CC=CC=2N2C(S)=NN=C12,8.23,4kfq_protein.pt,4kfq_pocket.pt,4kfq_ligand.pt
4tln,CC(C)CC([NH3+])C(=O)NO,3.72,4tln_protein.pt,4tln_pocket.pt,4tln_ligand.pt
6c0s,COC(=O)NC1C=CC(=CC=1)C1C=C(N=NC=1Cl)C(CC1CCCN(C1)C(C)=O)NC(=O)C=CC1=CC(Cl)=CC=C1N1C=NN=N1,7.05,6c0s_protein.pt,6c0s_pocket.pt,6c0s_ligand.pt
5c28,CC1C(N)=NC(=NC=1Cl)C1CC1,5.66,5c28_protein.pt,5c28_pocket.pt,5c28_ligand.pt
4lm2,OCC1=CC=C2OCCOC2=C1,3.03,4lm2_protein.pt,4lm2_pocket.pt,4lm2_ligand.pt
4j7e,CC1=NC(C)(C2C=CC(Cl)=CC=2)C(C)(C2C=CC(Cl)=CC=2)N1C(=O)N1CC[NH+](CCCS(C)(=O)=O)CC1,4.85,4j7e_protein.pt,4j7e_pocket.pt,4j7e_ligand.pt
4mgd,OC1C=CC(=CC=1)C(C1C=CC(O)=CC=1)C(Cl)(Cl)Cl,4.69,4mgd_protein.pt,4mgd_pocket.pt,4mgd_ligand.pt
2v00,NC1=NC(=CC(=O)N1)CCC1C=CC=CC=1,3.66,2v00_protein.pt,2v00_pocket.pt,2v00_ligand.pt
1d4k,CCC(C)C1NC(=O)C(CC2C=CC(=CC=2)OCCCCCNC1=O)[NH2+]CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O,9.22,1d4k_protein.pt,1d4k_pocket.pt,1d4k_ligand.pt
3wzn,O=C([O-])CCCCC1SCC2NC(=O)NC21,7.0,3wzn_protein.pt,3wzn_pocket.pt,3wzn_ligand.pt
4bcp,CNC1=NC(C)=C(S1)C1=NC(=NC=C1C#N)NC1=CC=CC(=C1)N1CCC[NH2+]CC1,6.25,4bcp_protein.pt,4bcp_pocket.pt,4bcp_ligand.pt
5v79,CN1C(=NC2C(=O)N[C+](=N)NC=21)SCC(=O)NC1C=CC=CC=1,6.41,5v79_protein.pt,5v79_pocket.pt,5v79_ligand.pt
4q4p,O=C1N=CNC2C=C3NC(=NC3=CC=21)NCC[NH+]1CCCCC1,6.39,4q4p_protein.pt,4q4p_pocket.pt,4q4p_ligand.pt
4fs4,COC1=CC=CC(=C1)C1=CC=CC(=C1)C1(C)CC(=O)N(C)[C+](=N)N1,6.57,4fs4_protein.pt,4fs4_pocket.pt,4fs4_ligand.pt
3su3,CCC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(C)(C)CCCCC1=CC=CC3=CN(C=C31)C(=O)O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1,9.13,3su3_protein.pt,3su3_pocket.pt,3su3_ligand.pt
3tay,COC1(CC(O)C(NC(=O)CO)C(O1)C(O)C(O)CO)C(=O)[O-],3.38,3tay_protein.pt,3tay_pocket.pt,3tay_ligand.pt
5cap,CC1=NC2=CN=C(C=C2N1C(C)C)NC1=CC=NC(=N1)OCC(C)(C)S(C)(=O)=O,7.28,5cap_protein.pt,5cap_pocket.pt,5cap_ligand.pt
4h3g,CN1C(=O)C2CN(CC2(N[C+]1=N)C1=CC(=CS1)C1C=CC=C(C#N)C=1)C1N=CC=CC=1C#N,8.22,4h3g_protein.pt,4h3g_pocket.pt,4h3g_ligand.pt
4mo8,CC1=NC=C(N1CCNS(N)(=O)=O)[N+](=O)[O-],8.0,4mo8_protein.pt,4mo8_pocket.pt,4mo8_ligand.pt
3hvj,CCCNC1N=CN=C2C=1N=CN2C1OC(C=CCNC(=O)C2C=C(C=C(O)C=2O)C2C=CC(F)=CC=2)C(O)C1O,8.7,3hvj_protein.pt,3hvj_pocket.pt,3hvj_ligand.pt
2rkf,CC1=CC=CC(C)=C1OCC(=O)NC(CC1C=CC=CC=1)C(O)CC(CC1C=CC=CC=1)NC(=O)C(C(C)C)N1CCCNC1=O,9.08,2rkf_protein.pt,2rkf_pocket.pt,2rkf_ligand.pt
5os4,O=C1NC(=O)C2CC(CCC12)C1C=CC=CC=1,2.78,5os4_protein.pt,5os4_pocket.pt,5os4_ligand.pt
5js3,CC(C)CC(N[P](=O)(=O)CNC(=O)OCC1C=CC=CC=1)C(=O)NCC(C)C(C)(C)C,6.73,5js3_protein.pt,5js3_pocket.pt,5js3_ligand.pt
4kz7,CC12CCC(OC1=O)(C(=O)[O-])C2(C)C,2.49,4kz7_protein.pt,4kz7_pocket.pt,4kz7_ligand.pt
4l19,CC1C=CC(=CC=1)CSC1=NC2CCCC=2C(=O)N1,6.1,4l19_protein.pt,4l19_pocket.pt,4l19_ligand.pt
5ot8,CC([NH2+]C(CCCNC(N)=[NH2+])C(=O)[O-])C(=O)[O-],4.2,5ot8_protein.pt,5ot8_pocket.pt,5ot8_ligand.pt
4ytc,NC1=NC(=NN1C1C=C(N=CN=1)NC1C=CC=CC=1)NC1C=CC=CC=1,7.89,4ytc_protein.pt,4ytc_pocket.pt,4ytc_ligand.pt
3ao2,CN1N=C(C=C1N)C1C=C(Br)C2OCOC=2C=1,3.77,3ao2_protein.pt,3ao2_pocket.pt,3ao2_ligand.pt
5lz4,CC1(C)CC(=O)N(CCOC2C=CC(F)=C(C#N)C=2)C1,5.7,5lz4_protein.pt,5lz4_pocket.pt,5lz4_ligand.pt
5en3,O=C1C=C(OC2C=C(Cl)C=C(O)C=21)C1C=CC(O)=C(O)C=1,6.21,5en3_protein.pt,5en3_pocket.pt,5en3_ligand.pt
6h29,NC(=O)OCC1C=CC=CC=1,5.62,6h29_protein.pt,6h29_pocket.pt,6h29_ligand.pt
2p4j,CC(C)CC(NC(=O)C1=CC(=CC(=C1)N(C)S(C)(=O)=O)C(=O)NC(C)C1C=CC=CC=1)C(O)CC(C)C(=O)NC(C(=O)NC(C)C)C(C)C,8.96,2p4j_protein.pt,2p4j_pocket.pt,2p4j_ligand.pt
4dkq,NC(=[NH2+])NC1CC2C=CC=CC=2C1NC(=O)C(=O)NC1C=CC(Cl)=C(F)C=1,6.6,4dkq_protein.pt,4dkq_pocket.pt,4dkq_ligand.pt
4yo8,CCCCCC[NH+](CO)CC1=CNC2C1=NC=NC=2N,10.52,4yo8_protein.pt,4yo8_pocket.pt,4yo8_ligand.pt
4uof,NC1=NC=NC2=C1N=CN2C1CC(O)C(CO[P](=O)(=O)OP(=O)(=O)=O)O1,4.84,4uof_protein.pt,4uof_pocket.pt,4uof_ligand.pt
3f19,O=C(CNS(=O)(=O)C1C=CC(F)=CC=1)NO,7.19,3f19_protein.pt,3f19_pocket.pt,3f19_ligand.pt
2vvs,CC(=O)NC1C(=NOC(=O)NC2C=CC=CC=2)OC(CO)C(O)C1O,7.34,2vvs_protein.pt,2vvs_pocket.pt,2vvs_ligand.pt
2zfp,CCC([NH3+])C(=O)N1CCCC1C(=O)NCC1C=C(Cl)C=CC=1,5.17,2zfp_protein.pt,2zfp_pocket.pt,2zfp_ligand.pt
5ijr,NC(=[NH2+])NCCCCC([NH3+])C(=O)[O-],3.2,5ijr_protein.pt,5ijr_pocket.pt,5ijr_ligand.pt
3ckp,COC1C=C(C=CC=1)CN1CC(NC1=O)C(=O)NC(CC1C=CC=CC=1)C(O)C[NH2+]CC1=CC=CC(=C1)N(C)C,6.35,3ckp_protein.pt,3ckp_pocket.pt,3ckp_ligand.pt
5gsa,CS(=O)(=O)C1C=CC(=CC=1)C1=CN=C(NCC2=CC=CO2)N2C=NN=C12,7.09,5gsa_protein.pt,5gsa_pocket.pt,5gsa_ligand.pt
5ota,CC([NH2+]C(CCC[NH3+])C(=O)[O-])C(=O)[O-],5.74,5ota_protein.pt,5ota_pocket.pt,5ota_ligand.pt
6epy,OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,6.46,6epy_protein.pt,6epy_pocket.pt,6epy_ligand.pt
4hu1,NS(=O)(=O)C1C(F)=C(F)C(=C(F)C=1F)S(=O)(=O)CCO,7.54,4hu1_protein.pt,4hu1_pocket.pt,4hu1_ligand.pt
2xxx,[NH3+]C(CCC(=O)[O-])C(=O)[O-],6.41,2xxx_protein.pt,2xxx_pocket.pt,2xxx_ligand.pt
5d45,O=C([O-])CCN1C2=CC=C(C=C2C(C2C=CC=CC=2)=C1C1C=CC=CC=1)C1CC1,6.92,5d45_protein.pt,5d45_pocket.pt,5d45_ligand.pt
1jao,CC(NC(=O)C(CS)CC1C=CC=CC=1)C(=O)NCC(N)=O,5.92,1jao_protein.pt,1jao_pocket.pt,1jao_ligand.pt
3o9p,CC([NH3+])C(=O)NC(CCC(=O)NC(CCCC([NH3+])C(=O)[O-])C(=O)[O-])C(=O)[O-],6.52,3o9p_protein.pt,3o9p_pocket.pt,3o9p_ligand.pt
2qi3,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)C(O)C(C)C)S(=O)(=O)C1C=CC2N=CSC=2C=1,10.2,2qi3_protein.pt,2qi3_pocket.pt,2qi3_ligand.pt
2fdp,CCCN(CCC)C(=O)C1C=C(C=CC=1)C(=O)NC(CC1C=CC=CC=1)C([NH3+])CC(C)C(=O)NC1C=CC(F)=CC=1,7.59,2fdp_protein.pt,2fdp_pocket.pt,2fdp_ligand.pt
3th9,CC1CC2=CC(F)=CC=C2S(=O)(=O)N(C1)CC(O)C(CC1C=CC=CC=1)NC(=O)OC(C)(C)C,7.7,3th9_protein.pt,3th9_pocket.pt,3th9_ligand.pt
4w9i,CC(=O)N1CC(O)CC1C(=O)N1CC(O)CC1C(=O)NCC1C=CC(=CC=1)C1SC=NC=1C,5.96,4w9i_protein.pt,4w9i_pocket.pt,4w9i_ligand.pt
4gny,CCCCCCCCCCCCOS(=O)(=O)[O-],4.22,4gny_protein.pt,4gny_pocket.pt,4gny_ligand.pt
3nzk,CC(O)C(NC(=O)C1C=CC(C#CC2C=CC(=CC=2)C[NH+]2CCOCC2)=CC=1)C(=O)NO,9.27,3nzk_protein.pt,3nzk_pocket.pt,3nzk_ligand.pt
5fnc,CC1C=CC(=CC=1)CNC1C=C(Cl)N=C(N)N=1,4.11,5fnc_protein.pt,5fnc_pocket.pt,5fnc_ligand.pt
5kbe,OC1C=CC=CC=1,6.34,5kbe_protein.pt,5kbe_pocket.pt,5kbe_ligand.pt
5o2d,CS(=O)(=O)NC1C=CC=CC=1C1=CC=CC2C3C=CC=CC=3NC=21,5.68,5o2d_protein.pt,5o2d_pocket.pt,5o2d_ligand.pt
1trd,O=C(COP(=O)(=O)=O)NO,5.4,1trd_protein.pt,1trd_pocket.pt,1trd_ligand.pt
4xxh,O=P(=O)(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,5.0,4xxh_protein.pt,4xxh_pocket.pt,4xxh_ligand.pt
6g37,NC1=NC=NC2=C1C(F)=CN2C1OC(CO)C(O)C1O,7.37,6g37_protein.pt,6g37_pocket.pt,6g37_ligand.pt
1ax0,CC(=O)NC1C(O)OC(CO)C(O)C1O,3.13,1ax0_protein.pt,1ax0_pocket.pt,1ax0_ligand.pt
3p8n,C=CC1CC1(NC(=O)C1CC(CN1C(=O)C(NC(=O)OC1CCCC1)C(C)(C)C)OC1=CC(=NC2C(Br)=C(C=CC=21)OC)C1=CSC(=N1)NC(=O)C(C)C)C(=O)[O-],9.28,3p8n_protein.pt,3p8n_pocket.pt,3p8n_ligand.pt
2cex,CC(=O)NC1C(O)C=C(OC1C(O)C(O)CO)C(=O)[O-],4.7,2cex_protein.pt,2cex_pocket.pt,2cex_ligand.pt
5j7w,CN(CC1C=NC2N=C(N)N=C(N)C=2N=1)C1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],4.89,5j7w_protein.pt,5j7w_pocket.pt,5j7w_ligand.pt
5ey4,NC1=NC=NC2=C1N=CN2C1CC(O)C(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)O1,3.12,5ey4_protein.pt,5ey4_pocket.pt,5ey4_ligand.pt
1n4h,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)[O-],6.55,1n4h_protein.pt,1n4h_pocket.pt,1n4h_ligand.pt
3pbb,COC1C=CC(=CC=1OC)N=C(S)NCCCN1C=CN=C1,7.02,3pbb_protein.pt,3pbb_pocket.pt,3pbb_ligand.pt
3qx9,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,4.05,3qx9_protein.pt,3qx9_pocket.pt,3qx9_ligand.pt
6guk,CCN1C=NC2C(=NC(=NC=21)NC1CCCCC1[NH3+])NC1C=CC=C(Cl)C=1,6.15,6guk_protein.pt,6guk_pocket.pt,6guk_ligand.pt
3gy4,N=[C+](=N)C1C=CC(N)=CC=1,5.1,3gy4_protein.pt,3gy4_pocket.pt,3gy4_ligand.pt
6dif,CCCC1(CCC2C=CC=CC=2)CC(O)=C(C(=O)O1)C(CC)C1C=C(C=CC=1)NS(=O)(=O)C1C=CC(=CN=1)C(F)(F)F,10.72,6dif_protein.pt,6dif_pocket.pt,6dif_ligand.pt
6faf,CC1=CC=C(C)C(=C1)NC(=O)NC1C=C(C=CC=1O)S(N)(=O)=O,6.51,6faf_protein.pt,6faf_pocket.pt,6faf_ligand.pt
4zv1,NC(=[NH2+])NCCCC([NH3+])C(=O)[O-],5.24,4zv1_protein.pt,4zv1_pocket.pt,4zv1_ligand.pt
3ujd,C[N+](C)(C)CCOP(=O)(=O)=O,4.69,3ujd_protein.pt,3ujd_pocket.pt,3ujd_ligand.pt
3tk2,[NH3+]C(CC1C=CC=CC=1)C(=O)[O-],4.62,3tk2_protein.pt,3tk2_pocket.pt,3tk2_ligand.pt
2boj,COC1OCC(O)C(O)C1O,5.77,2boj_protein.pt,2boj_pocket.pt,2boj_ligand.pt
4pow,NC(=[NH2+])NCCCC(C(=O)[O-])[NH+]1C(O)CCC1C(=O)[O-],6.3,4pow_protein.pt,4pow_pocket.pt,4pow_ligand.pt
2qd6,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC2OCOC=2C=1,8.68,2qd6_protein.pt,2qd6_pocket.pt,2qd6_ligand.pt
2pu2,O=C([O-])C1C=CC2C(=O)N(C(=O)C=2C=1)C(CC1C=CC(O)=CC=1)C(=O)[O-],4.43,2pu2_protein.pt,2pu2_pocket.pt,2pu2_ligand.pt
6f3b,CC1C=CC(=CC=1)CNC(=O)NC1=CC(=CC=C1O)S(N)(=O)=O,6.56,6f3b_protein.pt,6f3b_pocket.pt,6f3b_ligand.pt
5x62,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,6.42,5x62_protein.pt,5x62_pocket.pt,5x62_ligand.pt
5mqe,CNC(=O)C1=CC(Br)=CN1,5.4,5mqe_protein.pt,5mqe_pocket.pt,5mqe_ligand.pt
5k0m,C[NH+](C)C1C[NH+](CC1C1C=CC(=CC=1)N1CCN(CC1)S(C)(=O)=O)C1CCC2=CC=CC(F)=C21,8.82,5k0m_protein.pt,5k0m_pocket.pt,5k0m_ligand.pt
2hhn,CC(CNC1C=CC(=CC=1)OC(F)(F)F)NC(=O)C(CS(=O)(=O)CC1C=CC=CC=1)NC(=O)N1CCOCC1,7.49,2hhn_protein.pt,2hhn_pocket.pt,2hhn_ligand.pt
1nfw,O=C1CN(CCN1CC1=CC2C=NC=CC=2N1)S(=O)(=O)C=CC1=CC=C(Cl)S1,8.96,1nfw_protein.pt,1nfw_pocket.pt,1nfw_ligand.pt
4zzy,NC(=O)C1=CC(F)=CC2CN(C(=O)C=21)C1CC[NH+](CC1)C1CCC(F)(F)CC1,5.6,4zzy_protein.pt,4zzy_pocket.pt,4zzy_ligand.pt
4f6u,CC1C=CC(=CC=1)N1N=C(C=C1NC(=O)NCCC[NH+]1CCOCC1)C(C)(C)C,6.15,4f6u_protein.pt,4f6u_pocket.pt,4f6u_ligand.pt
4ymg,C[S+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,4.68,4ymg_protein.pt,4ymg_pocket.pt,4ymg_ligand.pt
1z95,CC(O)(CS(=O)(=O)C1C=CC(F)=CC=1)C(=O)NC1C=CC(C#N)=C(C=1)C(F)(F)F,7.12,1z95_protein.pt,1z95_pocket.pt,1z95_ligand.pt
4jfs,COC1C=CC(=CC=1)C1C(O)C(O)C(C)[NH+]1C,5.27,4jfs_protein.pt,4jfs_pocket.pt,4jfs_ligand.pt
5eu1,COC1=CC(=CC(OC)=C1C[NH+](C)C)C1=CN(C)C(=O)C2C=NC=CC=21,7.81,5eu1_protein.pt,5eu1_pocket.pt,5eu1_ligand.pt
2pog,OC1C=CC(=CC=1)C1OC2=CC=CC(O)=C2C2CCCC21,9.54,2pog_protein.pt,2pog_pocket.pt,2pog_ligand.pt
3qqa,CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,5.82,3qqa_protein.pt,3qqa_pocket.pt,3qqa_ligand.pt
4dld,[NH3+]C(CC1C=C(Cl)C(=CC=1CCC(=O)[O-])[N+](=O)[O-])C(=O)[O-],5.82,4dld_protein.pt,4dld_pocket.pt,4dld_ligand.pt
3mam,C[N+](C)(C)CC(=O)[O-],4.12,3mam_protein.pt,3mam_pocket.pt,3mam_ligand.pt
5v7a,CN1C(=NC2C(=O)NC(=[NH2+])NC=21)SCC(=O)[O-],6.38,5v7a_protein.pt,5v7a_pocket.pt,5v7a_ligand.pt
2uxz,COC(=O)NC(C(=O)N[NH+](CCCC(O)(CC1C=CC=CC=1)C(=O)NC1C2=CC=CC=C2CC1O)CC1C=CC(Br)=CC=1)C(C)(C)C,8.48,2uxz_protein.pt,2uxz_pocket.pt,2uxz_ligand.pt
6g3v,N=C(CCSCC1=CSC(=N1)NC(N)=[NH2+])NS(N)(=O)=O,6.04,6g3v_protein.pt,6g3v_pocket.pt,6g3v_ligand.pt
6h38,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CC[NH+](CC1)CC1C=CC(F)=CC=1,8.11,6h38_protein.pt,6h38_pocket.pt,6h38_ligand.pt
1zs0,COC1C=CC(=CC=1)C1C=CC(=CC=1)S(=O)(=O)NC(C(C)C)P(=O)(=O)=O,6.15,1zs0_protein.pt,1zs0_pocket.pt,1zs0_ligand.pt
4riv,O=S1(=O)NC(O)C2C=CC=CC=21,7.0,4riv_protein.pt,4riv_pocket.pt,4riv_ligand.pt
5jsj,O=C(C1=CC=C(C(=O)N2CCC(CC2)CC[NH+]2CCCC2)C(=C1)NC1C=CC(=CC=1)OC[NH+]1CCCC1)N1CCC(CC1)CC[NH+]1CCCC1,5.4,5jsj_protein.pt,5jsj_pocket.pt,5jsj_ligand.pt
1stc,C[NH2+]C1CC2OC(C)(C1OC)N1C3=CC=CC=C3C3C4CNC(=O)C=4C4C5C=CC=CC=5N2C=4C=31,8.1,1stc_protein.pt,1stc_pocket.pt,1stc_ligand.pt
4pp0,NC(=[NH2+])NCCCC(C(=O)[O-])[NH+]1C(O)CCC1C(=O)[O-],4.4,4pp0_protein.pt,4pp0_pocket.pt,4pp0_ligand.pt
4mmm,OC1C=CC(=CC=1O)C1C=CC=CC=1,3.82,4mmm_protein.pt,4mmm_pocket.pt,4mmm_ligand.pt
1ttm,NS(=O)(=O)OC1=CC=C2C(=C1)OC(=O)C1CCCCCC=12,7.35,1ttm_protein.pt,1ttm_pocket.pt,1ttm_ligand.pt
3tf6,O=C([O-])C1=CC=CC(O)=C1O,6.4,3tf6_protein.pt,3tf6_pocket.pt,3tf6_ligand.pt
5fls,CC(=CC(=O)[O-])C1C=CC(Cl)=CC=1,3.04,5fls_protein.pt,5fls_pocket.pt,5fls_ligand.pt
5fs5,CCCCCCCOC1OC(CO)C(O)C(O)C1O,6.69,5fs5_protein.pt,5fs5_pocket.pt,5fs5_ligand.pt
4iif,OC1C[NH+]2CCC(O)C2C(O)C1O,5.18,4iif_protein.pt,4iif_pocket.pt,4iif_ligand.pt
4cwt,NC1=N[N+]2C(CC3=CC=C4OCOC4=C3)=NC3C=C(F)C=C(NCCO)C=3C=2N1,6.75,4cwt_protein.pt,4cwt_pocket.pt,4cwt_ligand.pt
5hz6,CC(C)C1C=C(C=CC=1)C1C2=CC(Cl)=CC=C2N=C(C=1C(=O)[O-])C(C)C,7.8,5hz6_protein.pt,5hz6_pocket.pt,5hz6_ligand.pt
2p3i,COC1(CC(O)C(NC(C)=O)C(O1)C(O)C(O)CO)C(=O)[O-],3.48,2p3i_protein.pt,2p3i_pocket.pt,2p3i_ligand.pt
4qpl,NC1N=CN=C2C=1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1OC1OC(COP(=O)(=O)=O)C(O)C1O,7.41,4qpl_protein.pt,4qpl_pocket.pt,4qpl_ligand.pt
1zdp,O=C([O-])CNC(=O)C(CS)CC1C=CC=CC=1,5.74,1zdp_protein.pt,1zdp_pocket.pt,1zdp_ligand.pt
2vvc,COC1C[NH+](CC(=O)NC2=CC=C(C=C2F)N2C=CC=CC2=O)CC1NC(=O)C1=CC=C(Cl)S1,8.52,2vvc_protein.pt,2vvc_pocket.pt,2vvc_ligand.pt
5mmg,CCOC1C=CC(=CC=1NC1C=CC2C=CN(C=2C=1)S(C)(=O)=O)C(C)=O,6.01,5mmg_protein.pt,5mmg_pocket.pt,5mmg_ligand.pt
4ahs,O=C([O-])C1C=CC=C2C=COC=12,2.19,4ahs_protein.pt,4ahs_pocket.pt,4ahs_ligand.pt
1w4p,O=C1C=CN(C(=O)N1)C1CC(OP(=O)(=O)=O)C(CO)O1,4.74,1w4p_protein.pt,1w4p_pocket.pt,1w4p_ligand.pt
5u0g,COC1C=CC(CC2SC(=O)NC2=O)=C(C=1)OC,4.58,5u0g_protein.pt,5u0g_pocket.pt,5u0g_ligand.pt
5dus,NC1N=CN=C2C=1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OCC2OC(O)C(O)C2O)C(O)C1O,5.53,5dus_protein.pt,5dus_pocket.pt,5dus_ligand.pt
5t9z,COC1CCC=CC2=CC=CC(=C2)COC(=O)C2CCCN([NH2+]2)C(=O)C(CC2C=C(O)C=CC=2)NC(=O)C(NC(=O)C1C)C(C)C,7.19,5t9z_protein.pt,5t9z_pocket.pt,5t9z_ligand.pt
4cu8,OCC1[NH2+]CC(O)C(O)C1O,4.47,4cu8_protein.pt,4cu8_pocket.pt,4cu8_ligand.pt
3pb8,CC(=O)NCCC1=CNC=N1,5.24,3pb8_protein.pt,3pb8_pocket.pt,3pb8_ligand.pt
4cwq,NC1=N[N+]2C(CC3=CC=C4OCOC4=C3)=NC3=CC(=CC=C3C=2N1)S(N)(=O)=O,7.06,4cwq_protein.pt,4cwq_pocket.pt,4cwq_ligand.pt
3fv2,[NH3+]C(CC1(CC2OCC(O)C(O)C2O1)C(=O)[O-])C(=O)[O-],8.11,3fv2_protein.pt,3fv2_pocket.pt,3fv2_ligand.pt
3ttp,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,9.12,3ttp_protein.pt,3ttp_pocket.pt,3ttp_ligand.pt
3s45,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,8.49,3s45_protein.pt,3s45_pocket.pt,3s45_ligand.pt
5t9u,COC1C=CC=CCCOC(=O)C2CCCN([NH2+]2)C(=O)C(CC2C=C(O)C=CC=2)NC(=O)C(NC(=O)C(C)C(OC)C1C)C(C)C,7.6,5t9u_protein.pt,5t9u_pocket.pt,5t9u_ligand.pt
2web,COC(=O)C(CC1C=CC=CC=1)O[P](=O)(=O)C(CC1C=CC2C=CC=CC=2C=1)NC(=O)C(NC=O)C(C)C,5.12,2web_protein.pt,2web_pocket.pt,2web_ligand.pt
1tni,[NH3+]CCCCC1C=CC=CC=1,4.0,1tni_protein.pt,1tni_pocket.pt,1tni_ligand.pt
1r1j,CC(NC(=O)C(CC1C=CC=CC=1)NC(=O)C(S)CC1C=CC=CC=1)C(=O)[O-],8.64,1r1j_protein.pt,1r1j_pocket.pt,1r1j_ligand.pt
1pa9,O=[N+]([O-])C1C=CC(O)=C(C=1)OS(=O)(=O)[O-],4.6,1pa9_protein.pt,1pa9_pocket.pt,1pa9_ligand.pt
6d5e,CC1=CC(=CC(C)=C1F)CN1C2=CC(Cl)=CC(=C2N=C1N1CC[NH2+]CC1)N1CCCC1C[NH3+],6.85,6d5e_protein.pt,6d5e_pocket.pt,6d5e_ligand.pt
1hk4,[NH3+]C(CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(=O)[O-],5.31,1hk4_protein.pt,1hk4_pocket.pt,1hk4_ligand.pt
6eis,O=C1C=CC2C=NC3=CC=C(C=C3C=2N1C1=CC=C(F)C=C1C(F)(F)F)C1C=NNC=1,6.6,6eis_protein.pt,6eis_pocket.pt,6eis_ligand.pt
4bco,CNC1=NC(C)=C(S1)C1=NC(=NC=C1C#N)NC1=CC=CC(=C1)N1CCCN(CC1)C(C)=O,6.88,4bco_protein.pt,4bco_pocket.pt,4bco_ligand.pt
1mq5,C[NH+]1CC[NH+](CC1)CC1=CSC(C(=O)NC2=CC=C(Cl)C=C2C(=O)NC2C=CC(Cl)=CC=2)=C1Cl,9.0,1mq5_protein.pt,1mq5_pocket.pt,1mq5_ligand.pt
5u4d,O=C([O-])C1C=CC=C(C=CC2=CC=C(O)C=C2Cl)C=1,6.33,5u4d_protein.pt,5u4d_pocket.pt,5u4d_ligand.pt
5nyh,CN(C(=O)C1=CC2C(C=C1O)=NNC=2C(=O)N1CCCC1)C1C=CC(=CC=1)N1CCOCC1,7.73,5nyh_protein.pt,5nyh_pocket.pt,5nyh_ligand.pt
6dj5,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OC3OCCC3C12,8.14,6dj5_protein.pt,6dj5_pocket.pt,6dj5_ligand.pt
3lpp,O=S(=O)([O-])OC(C(O)C[S+]1CC(O)C(O)C1CO)C(O)C(O)C(O)CO,6.22,3lpp_protein.pt,3lpp_pocket.pt,3lpp_ligand.pt
3su1,CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C2CC(CN2C1=O)OC(=O)N1C=C2C=CC=C(F)C2=C1)C(=O)NS(=O)(=O)C1CC1,6.68,3su1_protein.pt,3su1_pocket.pt,3su1_ligand.pt
1mai,O=P(=O)(=O)OC1C(O)C(O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,6.68,1mai_protein.pt,1mai_pocket.pt,1mai_ligand.pt
3l4z,O=S(=O)([O-])OC(CO)C(O)C[S+]1CC(O)C(O)C1CO,6.72,3l4z_protein.pt,3l4z_pocket.pt,3l4z_ligand.pt
4muf,COC1=CC=C2C(=C1)C=C(C(=O)NS(=O)(=O)C1C=CC(=CC=1)C(C)(C)C)N2CC(=O)[O-],6.34,4muf_protein.pt,4muf_pocket.pt,4muf_ligand.pt
4u0f,O=C1NC(C2C=CC(O)=CC=2)C2C1=NNC=2C1C=CC=CC=1,5.92,4u0f_protein.pt,4u0f_pocket.pt,4u0f_ligand.pt
4ibe,O=C([O-])C1=CC(=CC=C1Cl)N1C(=O)C(O)=C(C(=O)C2C=CC=CC=2)C1C1=CC(Br)=CS1,4.15,4ibe_protein.pt,4ibe_pocket.pt,4ibe_ligand.pt
5oot,COC1C=C(C=CC=1NC1=NC=C2C(=N1)N(C)C1C=CC=CC=1C(=O)N2C)C(=O)N1CCC(CC1)[NH+]1CC[NH+](C)CC1,7.55,5oot_protein.pt,5oot_pocket.pt,5oot_ligand.pt
4loo,NC1N=CC=C(N=1)C1=C(N=CN1C1CC[NH2+]CC1)C1C=CC(F)=CC=1,8.15,4loo_protein.pt,4loo_pocket.pt,4loo_ligand.pt
1wht,O=C([O-])CC(CC1C=CC=CC=1)C(=O)[O-],3.7,1wht_protein.pt,1wht_pocket.pt,1wht_ligand.pt
3hku,CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1,8.3,3hku_protein.pt,3hku_pocket.pt,3hku_ligand.pt
4tkb,CCCCCCCCCCCC(=O)[O-],5.59,4tkb_protein.pt,4tkb_pocket.pt,4tkb_ligand.pt
6cbg,O=C([O-])C1=CC=CC(=C1)C1C=NNC=1,3.95,6cbg_protein.pt,6cbg_pocket.pt,6cbg_ligand.pt
1nw4,O=C1NC=NC2C(=CNC=21)C1[NH2+]C(CO)C(O)C1O,9.07,1nw4_protein.pt,1nw4_pocket.pt,1nw4_ligand.pt
3qaa,COC1C=CC(=CC=1)S(=O)(=O)N(CC(C)C)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCC(OC)C12,11.54,3qaa_protein.pt,3qaa_pocket.pt,3qaa_ligand.pt
3dzt,CCCCCC=CCC=CCCCCCC(O)CCCC(=O)[O-],7.22,3dzt_protein.pt,3dzt_pocket.pt,3dzt_ligand.pt
1z9g,O=C([O-])CC(=O)NC(CS)CC1C=CC=CC=1,5.64,1z9g_protein.pt,1z9g_pocket.pt,1z9g_ligand.pt
6f1j,OCC1[NH2+]CC(O)C1O,4.62,6f1j_protein.pt,6f1j_pocket.pt,6f1j_ligand.pt
3hzk,C=CCOC1(CC(OC2(CC(O)C(O)C(O2)C(O)CO)C(=O)[O-])C(O)C(O1)C(O)CO)C(=O)[O-],6.7,3hzk_protein.pt,3hzk_pocket.pt,3hzk_ligand.pt
1f74,CC(=O)NC(CCC(=O)C(=O)[O-])C(O)C(O)C(O)CO,3.05,1f74_protein.pt,1f74_pocket.pt,1f74_ligand.pt
5dex,[NH3+]C(CC1CC([NH2+]N1C1C=CC=CC=1)C(=O)[O-])C(=O)[O-],7.65,5dex_protein.pt,5dex_pocket.pt,5dex_ligand.pt
3b1m,CCC1C=CC2C=CC=CC=2C=1CNC(=O)C1=C(C=C(O)C2=C1OC1=CC(O)=C(C(C)=O)C(=O)C12C)OC,8.48,3b1m_protein.pt,3b1m_pocket.pt,3b1m_ligand.pt
1mue,O=C(CN1C(=O)C(=NC=C1Cl)NCC(F)(F)C1=CC=CC=[N+]1[O-])NCC1=CC=CC=C1F,8.64,1mue_protein.pt,1mue_pocket.pt,1mue_ligand.pt
3o99,CCC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,10.82,3o99_protein.pt,3o99_pocket.pt,3o99_ligand.pt
6f92,OCC1C(O)C(O)C(O)C2=NC=CN21,6.4,6f92_protein.pt,6f92_pocket.pt,6f92_ligand.pt
3kjd,CC1(CCC[NH2+]1)C1=NC2=CC=CC(C(N)=O)=C2N1,8.54,3kjd_protein.pt,3kjd_pocket.pt,3kjd_ligand.pt
2qd8,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC2OCOC=2C=1,9.07,2qd8_protein.pt,2qd8_pocket.pt,2qd8_ligand.pt
3nex,CC1=CC(=CC(C)=C1CC1=CC=C(O)C(=C1)CC1C=CC=CC=1)OCC(=O)[O-],6.0,3nex_protein.pt,3nex_pocket.pt,3nex_ligand.pt
5n6s,[N-]=[N+]=NCCCCNC(=O)C1C2C(O)C(O)C(O)C(CO)C12,8.09,5n6s_protein.pt,5n6s_pocket.pt,5n6s_ligand.pt
2qwb,CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)CO)C(=O)[O-],2.74,2qwb_protein.pt,2qwb_pocket.pt,2qwb_ligand.pt
1dl7,C[N+](C)(C)CCO[P](=O)(=O)OC1C=CC(=CC=1)[N+](=O)[O-],6.49,1dl7_protein.pt,1dl7_pocket.pt,1dl7_ligand.pt
1a9m,CC(=O)NC(CC1CCCCC1)C(O)CC(C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=[NH2+])C(N)=O)C(C)C,6.92,1a9m_protein.pt,1a9m_pocket.pt,1a9m_ligand.pt
5l9g,NC(=O)CCC([NH2+]CC(O)C(O)C(O)C(O)CO)C(=O)[O-],7.7,5l9g_protein.pt,5l9g_pocket.pt,5l9g_ligand.pt
4gj2,O=C(NC1=CC=NC(=C1)NC(=O)C1CC1F)C1C(Cl)=CC=CC=1Cl,8.6,4gj2_protein.pt,4gj2_pocket.pt,4gj2_ligand.pt
2vvu,O=C(C[NH+]1CCC(C1)NC(=O)C1=CC=C(Cl)S1)NC1=CC=C(C=C1F)N1C=CC=CC1=O,8.1,2vvu_protein.pt,2vvu_pocket.pt,2vvu_ligand.pt
4mhz,COC1C=CC(=CC=1OC)N=C(S)NCCCN1C=CN=C1,6.87,4mhz_protein.pt,4mhz_pocket.pt,4mhz_ligand.pt
3rtf,[NH3+]C(CN1C=C(Cl)C(=O)NC1=O)C(=O)[O-],7.35,3rtf_protein.pt,3rtf_pocket.pt,3rtf_ligand.pt
5uoo,COC1C=C2C(=CC=1C1C(C)=NOC=1C)NC1=NC(C)=NC(C3=CC=NC4C=CC=CC=43)=C21,8.85,5uoo_protein.pt,5uoo_pocket.pt,5uoo_ligand.pt
4mc2,CC(C)(C)C1CC2=CC(F)=CC=C2S(=O)(=O)N(CC(O)C(CC2C=CC=CC=2)NC(=O)OC2CCOC2)C1,8.19,4mc2_protein.pt,4mc2_pocket.pt,4mc2_ligand.pt
4qsv,CC1=CN(C(=O)NC1=O)C1CC(O)C(CO)O1,2.0,4qsv_protein.pt,4qsv_pocket.pt,4qsv_ligand.pt
4fnn,CCCCCCCCCCCCCCCCCC(=O)[O-],7.57,4fnn_protein.pt,4fnn_pocket.pt,4fnn_ligand.pt
4bah,NC(=[NH2+])C1C=CC(=CC=1)CNC(=O)C1CCN1C(=O)C([NH2+]CC(=O)[O-])C1CCCCC1,8.7,4bah_protein.pt,4bah_pocket.pt,4bah_ligand.pt
2w8y,CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC21C)C1C=CC(=CC=1)N(C)C,9.09,2w8y_protein.pt,2w8y_pocket.pt,2w8y_ligand.pt
5fnr,CN1N=NC2C=C(C=CC=21)C(CC(=O)[O-])C1C=CC(Cl)=CC=1,4.23,5fnr_protein.pt,5fnr_pocket.pt,5fnr_ligand.pt
1zc9,CC1=NC=C(COP(=O)(=O)=O)C(C[NH3+])=C1O,3.22,1zc9_protein.pt,1zc9_pocket.pt,1zc9_ligand.pt
1g4o,NS(=O)(=O)C1C=CC(=CC=1)C(=O)NCC1C=CC=CC=1,8.25,1g4o_protein.pt,1g4o_pocket.pt,1g4o_ligand.pt
2qci,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC2OCOC=2C=1,8.34,2qci_protein.pt,2qci_pocket.pt,2qci_ligand.pt
4q46,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,3.77,4q46_protein.pt,4q46_pocket.pt,4q46_ligand.pt
1fcy,CC1(C)CCC(C)(C)C2C=C(C=CC=21)C(=O)C1C=CC2C=C(C=CC=2C=1)C(=O)[O-],8.52,1fcy_protein.pt,1fcy_pocket.pt,1fcy_ligand.pt
3p7i,[NH3+]CCP(=O)(=O)=O,7.7,3p7i_protein.pt,3p7i_pocket.pt,3p7i_ligand.pt
4tkh,CCC=CCCCCCCCCCC(=O)[O-],5.74,4tkh_protein.pt,4tkh_pocket.pt,4tkh_ligand.pt
5d21,OCC1OC(OC2C=CC=CC=2)C(O)C(O)C1O,8.38,5d21_protein.pt,5d21_pocket.pt,5d21_ligand.pt
3qtv,C[N+]1C=CC(=CC=1)CNC(=O)C1CCCN1C(=O)C([NH3+])CC1C=CC=CC=1,4.65,3qtv_protein.pt,3qtv_pocket.pt,3qtv_ligand.pt
3k2f,CCN(C(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-])C1CC(C)S(=O)(=O)C2SC(=CC=21)S(N)(=O)=O,7.2,3k2f_protein.pt,3k2f_pocket.pt,3k2f_ligand.pt
1ogz,CC12CCC3C4=CC=C(O)C=C4C=CC=3C1CCC2=O,5.85,1ogz_protein.pt,1ogz_pocket.pt,1ogz_ligand.pt
4og3,N#CC1C=CC(=CC=1)OCCC[NH+]1CCC(CC1)C(O)(C1C=CC=CC=1)C1CCCC1,6.55,4og3_protein.pt,4og3_pocket.pt,4og3_ligand.pt
3nx7,COC1C=CC(=CC=1)S(=O)(=O)N(CCO)CC(=O)NO,8.1,3nx7_protein.pt,3nx7_pocket.pt,3nx7_ligand.pt
5u8c,CC([NH2+]C(C1C=CC=C2NC(=O)C(=O)NC=12)P([O])([O])=O)C1C=CC(Br)=CC=1,7.53,5u8c_protein.pt,5u8c_pocket.pt,5u8c_ligand.pt
4kn0,CN(CC1C=NC2N=C(N)N=C(N)C=2N=1)C1C=CC(=CC=1)C(=O)NC(CCC(=O)[O-])C(=O)[O-],7.4,4kn0_protein.pt,4kn0_pocket.pt,4kn0_ligand.pt
1bcu,NC1=CC=C2C=C3C=CC(N)=CC3=NC2=C1,3.28,1bcu_protein.pt,1bcu_pocket.pt,1bcu_ligand.pt
6gnw,O=C([O-])COC1=CC(Cl)=C(Cl)C=C1Cl,4.99,6gnw_protein.pt,6gnw_pocket.pt,6gnw_ligand.pt
1oau,O=C([O-])C(CO)NC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-],7.7,1oau_protein.pt,1oau_pocket.pt,1oau_ligand.pt
5osl,[NH3+]CC1=CC=C(C(Cl)=C1)C1C=CC=CC=1O,3.43,5osl_protein.pt,5osl_pocket.pt,5osl_ligand.pt
4x5q,O=[N+]([O-])C1C=CC2=C(C=CN2C2C=CC(=CC=2)OC2OC(CO)C(O)C(O)C2O)C=1,9.0,4x5q_protein.pt,4x5q_pocket.pt,4x5q_ligand.pt
1bnt,COC1C=CC(=CC=1)N1CC(O)C2C=C(SC=2S1(=O)=O)S(N)(=O)=O,9.8,1bnt_protein.pt,1bnt_pocket.pt,1bnt_ligand.pt
5o9p,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(C3O)N3C=C(COCC4=CC=CC=N4)N=N3)C2O)C(O)C(O)C1O,5.09,5o9p_protein.pt,5o9p_pocket.pt,5o9p_ligand.pt
1ksn,COC(=O)C(CC1C=CC=C(C=1)[C+](=N)=N)C(C)NC(=O)C1C=CC(=CC=1)C1C=C[N+]([O-])=CC=1,9.4,1ksn_protein.pt,1ksn_pocket.pt,1ksn_ligand.pt
5ikb,C=C(C)C1C[NH2+]C(C(=O)[O-])C1CC(=O)[O-],8.72,5ikb_protein.pt,5ikb_pocket.pt,5ikb_ligand.pt
4oc5,O=C(NC(CCCCNC(=O)C1C=CC(I)=CC=1)C(=O)[O-])NC(C(=O)[O-])C1C=CC(O)=CC=1,7.07,4oc5_protein.pt,4oc5_pocket.pt,4oc5_ligand.pt
1ajp,O=C([O-])CC1C=C(O)C=CC=1O,2.23,1ajp_protein.pt,1ajp_pocket.pt,1ajp_ligand.pt
5jfu,COC1C=CC(=CC=1)S(=O)(=O)N(CC1C=CC=CC=1)CC(O)C(CC12CC3CC(CC(C3)C1)C2)NC(=O)OC1COC2OCCC12,8.07,5jfu_protein.pt,5jfu_pocket.pt,5jfu_ligand.pt
4bps,O=C([O-])CCC1C=CC=C(C=1)C(=O)[O-],2.99,4bps_protein.pt,4bps_pocket.pt,4bps_ligand.pt
5b2d,CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)(OC1C(O)C(O)CO)C(=O)[O-],4.25,5b2d_protein.pt,5b2d_pocket.pt,5b2d_ligand.pt
3cz1,CCCCNS(=O)(=O)C1C=CC=CC=1,7.26,3cz1_protein.pt,3cz1_pocket.pt,3cz1_ligand.pt
3s78,NS(=O)(=O)C1=CC=CS1,6.47,3s78_protein.pt,3s78_pocket.pt,3s78_ligand.pt
2c1p,N#CC1C=CC(=CC=1)C(C(O)CC1C=CC(F)=CC=1)N1C=NC=N1,5.4,2c1p_protein.pt,2c1p_pocket.pt,2c1p_ligand.pt
5hva,O=C1C=CN(C(=O)N1)C1CC(O)C(CO[P](=O)(=O)N[P](=O)(=O)OP(=O)(=O)=O)O1,7.07,5hva_protein.pt,5hva_pocket.pt,5hva_ligand.pt
5lvq,CNC(=O)C1=CC=CC=C1OC1CCOCC1,4.14,5lvq_protein.pt,5lvq_pocket.pt,5lvq_ligand.pt
1z4o,O=P(=O)(=O)OC1OC(CO)C(O)C(O)C1O,4.52,1z4o_protein.pt,1z4o_pocket.pt,1z4o_ligand.pt
4q4s,CNC1=NC2C=C3C(=O)N[C+](=N)NC3=CC=2N1,6.95,4q4s_protein.pt,4q4s_pocket.pt,4q4s_ligand.pt
4zv2,NC(=O)CCC([NH3+])C(=O)[O-],2.93,4zv2_protein.pt,4zv2_pocket.pt,4zv2_ligand.pt
5vsf,COC1=CC2N=C(N=C(NC3CC[NH+](C)CC3)C=2C=C1OC)N(C)C1CCCC1,7.03,5vsf_protein.pt,5vsf_pocket.pt,5vsf_ligand.pt
1ydr,CC1C[NH2+]CCN1S(=O)(=O)C1=CC=CC2C=NC=CC=21,5.52,1ydr_protein.pt,1ydr_pocket.pt,1ydr_ligand.pt
1afl,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1OP(=O)(=O)=O,6.28,1afl_protein.pt,1afl_pocket.pt,1afl_ligand.pt
1qyg,C[NH+]1C2CCC1C(C(=O)[O-])C(C2)OC(=O)C1C=CC=CC=1,6.85,1qyg_protein.pt,1qyg_pocket.pt,1qyg_ligand.pt
5orw,O=C(CCOC1C=CC(F)=CC=1)N1CCSCC1,3.1,5orw_protein.pt,5orw_pocket.pt,5orw_ligand.pt
4zwx,CC(=O)OCC1OC(C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)S(=O)(=O)NCCCCCOS(N)(=O)=O,8.7,4zwx_protein.pt,4zwx_pocket.pt,4zwx_ligand.pt
2azr,O=C([O-])COC1C2C=CC=NC=2SC=1C(=O)[O-],3.64,2azr_protein.pt,2azr_pocket.pt,2azr_ligand.pt
5ioz,O=C(NCC1CCCC1)C1CCCC1,4.96,5ioz_protein.pt,5ioz_pocket.pt,5ioz_ligand.pt
3nu3,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,9.82,3nu3_protein.pt,3nu3_pocket.pt,3nu3_ligand.pt
4g8y,CC1CN(CC2=CN(N=N2)C2OC(CO)C(O)C2O)C(=O)NC=1O,4.59,4g8y_protein.pt,4g8y_pocket.pt,4g8y_ligand.pt
1u71,COC1C=CC(OC)=C(C=1)CC1C=NC2N=C(N)N=C(N)C=2C=1C,7.48,1u71_protein.pt,1u71_pocket.pt,1u71_ligand.pt
4de0,O=C(NC1C=CC=C(C=1)C1N=NNN=1)C1C=CC=C2N=CNC=12,5.89,4de0_protein.pt,4de0_pocket.pt,4de0_ligand.pt
4qew,CCC(C(=O)OC)C1N=C(C2C=CC(Cl)=CC=2)C2C=C(C=CC=2N2C(C)=NN=C12)OC,7.07,4qew_protein.pt,4qew_pocket.pt,4qew_ligand.pt
4b6o,COC1C=CC(=CC=1)CC1C(=O)C(O)C(O)CC1(O)C(=O)[O-],7.0,4b6o_protein.pt,4b6o_pocket.pt,4b6o_ligand.pt
2zdm,N=[C+](=N)C1C=CC(=CC=1)CNC(=O)C1CCCN1C(=O)COC1CCCCC1,6.41,2zdm_protein.pt,2zdm_pocket.pt,2zdm_ligand.pt
1uj5,O=C(CO)C(O)C(O)COP(=O)(=O)=O,3.05,1uj5_protein.pt,1uj5_pocket.pt,1uj5_ligand.pt
1adl,CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-],5.36,1adl_protein.pt,1adl_pocket.pt,1adl_ligand.pt
5cjf,NC1C=CC(=CC=1)C(=O)C1C=CC(=CC=1)C1C=CC(=CC=1)S(N)(=O)=O,9.59,5cjf_protein.pt,5cjf_pocket.pt,5cjf_ligand.pt
4ek9,C[NH+](C)CC1OC(C(O)C1O)N1C=NC2C1=NC=NC=2N,4.42,4ek9_protein.pt,4ek9_pocket.pt,4ek9_ligand.pt
3b7u,CC(NC(=O)C(CC(=O)NO)CC1C=CC=CC=1)C(=O)[O-],7.74,3b7u_protein.pt,3b7u_pocket.pt,3b7u_ligand.pt
5kh3,O=C([O-])CCC1=NC2C=C(Cl)C=CC=2S1,4.22,5kh3_protein.pt,5kh3_pocket.pt,5kh3_ligand.pt
1utj,[NH3+]CC1C=CC=CC=1,3.84,1utj_protein.pt,1utj_pocket.pt,1utj_ligand.pt
4jpx,[NH3+]C(CC1C=CC=CC=1)C(=O)[O-],5.15,4jpx_protein.pt,4jpx_pocket.pt,4jpx_ligand.pt
3jyr,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1[NH2+]C1C=C(CO)C(O)C(O)C1O,5.54,3jyr_protein.pt,3jyr_pocket.pt,3jyr_ligand.pt
5i8g,CC1CC(=O)NC2=CC=CC(C3=CC=C4C(=C3)C(=NN4C)C3C=NN(C)C=3)=C2N1,7.52,5i8g_protein.pt,5i8g_pocket.pt,5i8g_ligand.pt
4qy3,O=C([O-])C1C=CC=CC=1[S+](O)CC1C=CC=CC=1,6.82,4qy3_protein.pt,4qy3_pocket.pt,4qy3_ligand.pt
1ivp,CCC(C)C(NC(=O)C(C(C)C)C(O)C(=O)C(CC1CCCCC1)NC(=O)C(CC1=CN=CN1)NC(=O)COC1=CC=CC2C=CC=CC=21)C(=O)NCC1=CC=CC=N1,7.52,1ivp_protein.pt,1ivp_pocket.pt,1ivp_ligand.pt
5ia0,COC1=CC(=CC=C1C(=O)[O-])NC1N=CC2CN=C(C3=CC(Cl)=CC=C3C=2N=1)C1C(=CC=CC=1F)OC,6.73,5ia0_protein.pt,5ia0_pocket.pt,5ia0_ligand.pt
3w9r,CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CC(=O)[O-],6.18,3w9r_protein.pt,3w9r_pocket.pt,3w9r_ligand.pt
2yfe,COC1C=C(CCC2C=CC=CC=2)C(C(=O)[O-])=C(O)C=1CC=C(C)C,6.63,2yfe_protein.pt,2yfe_pocket.pt,2yfe_ligand.pt
4v24,CC1=CC(=CC(=C1)CS(=O)(=O)C1C=CC=CC=1)OCC1C=CC(=CC=1)C[NH+]1CCCC1CO,8.37,4v24_protein.pt,4v24_pocket.pt,4v24_ligand.pt
1vzq,N=[C+](=N)C1C=CC(=CC=1)C1C2C(=O)N(CC3=CC=C4OCOC4=C3)C(=O)C2C2CC(O)C[NH+]21,7.44,1vzq_protein.pt,1vzq_pocket.pt,1vzq_ligand.pt
4bup,C[S+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,4.95,4bup_protein.pt,4bup_pocket.pt,4bup_ligand.pt
5f1h,COC1=CC(C[NH+](C)C)=C(C=C1C1=CN(C)C(=O)C2C=NC=CC=21)OC,7.85,5f1h_protein.pt,5f1h_pocket.pt,5f1h_ligand.pt
5ivy,O=C(CC1C=CC(Cl)=CC=1)NC1=CN=CC=C1C(=O)[O-],6.44,5ivy_protein.pt,5ivy_pocket.pt,5ivy_ligand.pt
4kwg,CC1=CC2C(=O)C(=O)NC=2C(Br)=C1,6.0,4kwg_protein.pt,4kwg_pocket.pt,4kwg_ligand.pt
1txr,CC(C)CC(NC(=O)C(O)C([NH3+])CC1C=CC=CC=1)C(=O)[O-],7.74,1txr_protein.pt,1txr_pocket.pt,1txr_ligand.pt
3o5x,CN1C2=CC(O)=C(C=C2C(C2=CN(CCC(=O)NC3C=CC(=CC=3)C3C=CC=CC=3)N=N2)=C1C1C=CC=CC=1)C(=O)[O-],5.28,3o5x_protein.pt,3o5x_pocket.pt,3o5x_ligand.pt
1od8,O=C1NCCC(OC2OCC(O)C(O)C2O)C1O,5.1,1od8_protein.pt,1od8_pocket.pt,1od8_ligand.pt
4kz6,CC1CCCC(C(=O)[O-])N1C(=O)CCS,3.1,4kz6_protein.pt,4kz6_pocket.pt,4kz6_ligand.pt
6ex1,NS(=O)(=O)C1C=CC(=CC=1)C(=O)N1CC[NH2+]C(CC2C=CC=CC=2)C1,7.31,6ex1_protein.pt,6ex1_pocket.pt,6ex1_ligand.pt
4p3h,O=C(NC1=CC=C(C=C1CC1C=CC=CC=1)C1=NN=NN1)C1=CC=CC(CC2CCCCC2)=N1,6.0,4p3h_protein.pt,4p3h_pocket.pt,4p3h_ligand.pt
1bnu,NS(=O)(=O)C1=CC2=C(S1)S(=O)(=O)N(CC1=CC=CS1)CC2O,9.7,1bnu_protein.pt,1bnu_pocket.pt,1bnu_ligand.pt
1uho,CCCC1NC(C)=C2C(=O)NC(=N[N+]=12)C1=CC(=CC=C1OCC)S(=O)(=O)N1CC[NH+](CC)CC1,9.22,1uho_protein.pt,1uho_pocket.pt,1uho_ligand.pt
4lm3,CC(=O)C1C=CC2OCCOC=2C=1,2.92,4lm3_protein.pt,4lm3_pocket.pt,4lm3_ligand.pt
5my8,O=C(NC1=CC(=CC=C1N1CC[NH+](CC1)CC1=CC=CC=N1)C(F)(F)F)C1=CC=C(O1)C1C=CN=CC=1,7.14,5my8_protein.pt,5my8_pocket.pt,5my8_ligand.pt
2fw6,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-],2.92,2fw6_protein.pt,2fw6_pocket.pt,2fw6_ligand.pt
5e73,CC(=O)N1C=C(C2C=CC=CC=21)N(C(C)=O)C1C=C(O)C=CC=1C,4.64,5e73_protein.pt,5e73_pocket.pt,5e73_ligand.pt
4der,O=C1C=C(OC2C=C(O)C=C(O)C=21)C1C=CC(O)=CC=1,6.31,4der_protein.pt,4der_pocket.pt,4der_ligand.pt
2oi0,CC#CCOC1C=CC(=CC=1)S(=O)(=O)N1CCC(S)C1,7.55,2oi0_protein.pt,2oi0_pocket.pt,2oi0_ligand.pt
2j78,OCC1NC(=NO)C(O)C(O)C1O,6.42,2j78_protein.pt,2j78_pocket.pt,2j78_ligand.pt
2qm9,CC1=C(C)C2OC(C)(CCC=2C(C)=C1O)COC1C=CC(=CC=1)CC1SC(=O)NC1=O,7.77,2qm9_protein.pt,2qm9_pocket.pt,2qm9_ligand.pt
1xt8,[NH3+]C(CS)C(=O)[O-],6.85,1xt8_protein.pt,1xt8_pocket.pt,1xt8_ligand.pt
4qdk,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,5.85,4qdk_protein.pt,4qdk_pocket.pt,4qdk_ligand.pt
1t5f,[NH3+]C(CCCCC(O)O)C(=O)[O-],4.22,1t5f_protein.pt,1t5f_pocket.pt,1t5f_ligand.pt
1fki,CC1(C)COC(=O)CCCCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O,7.0,1fki_protein.pt,1fki_pocket.pt,1fki_ligand.pt
5dlx,CC1=NN=C2C=CC(=NN12)N1CCC(CC1)C(=O)NCCC[NH+]1CCN(CC1)C1C=C(Cl)C=CC=1,5.7,5dlx_protein.pt,5dlx_pocket.pt,5dlx_ligand.pt
5a6k,CC1[NH2+]C2C(OC(CO)C(O)C2O)S1,5.95,5a6k_protein.pt,5a6k_pocket.pt,5a6k_ligand.pt
5t8o,CC(C)(O)C#CC1=CC=C2OCCN3C=C(N=C3C2=C1)C(N)=O,6.51,5t8o_protein.pt,5t8o_pocket.pt,5t8o_ligand.pt
1mu8,CC1=CC=NC(CNC(=O)CN2C(=O)C(=NC=C2C)NCC(F)(F)C2C=CC=CN=2)=C1F,9.0,1mu8_protein.pt,1mu8_pocket.pt,1mu8_ligand.pt
3vh9,OC1=CC=CC2=CC=CN=C12,6.24,3vh9_protein.pt,3vh9_pocket.pt,3vh9_ligand.pt
3wz7,O=C(C[NH2+]CCC1=CNC2C=CC=CC=21)NC1SC2CCCCC=2C=1C(=O)NCC1C=CC=CC=1,5.74,3wz7_protein.pt,3wz7_pocket.pt,3wz7_ligand.pt
4u8w,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCC(F)(F)C12)S(=O)(=O)C1C=CC(N)=CC=1,11.24,4u8w_protein.pt,4u8w_pocket.pt,4u8w_ligand.pt
6c7x,NC1=NC(Cl)=NC2=C1N=CN2C1OC(COS(N)(=O)=O)C(O)C1O,7.19,6c7x_protein.pt,6c7x_pocket.pt,6c7x_ligand.pt
5u11,CNC(=O)CSC1=NC2C(=O)NC(N)=NC=2N1,5.35,5u11_protein.pt,5u11_pocket.pt,5u11_ligand.pt
4f0c,[NH3+]C(CCC(=O)NC(CSSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-],6.27,4f0c_protein.pt,4f0c_pocket.pt,4f0c_ligand.pt
1o2j,CC(C)COC1C=CC=C(C2=NC3=CC(=CC=C3N2)[C+](=N)=N)C=1O,6.92,1o2j_protein.pt,1o2j_pocket.pt,1o2j_ligand.pt
4p5z,NC(=O)C1C2N=C3C=CC=CC3=NC=2N(C2C=CC(=CC=2)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C=1N,7.41,4p5z_protein.pt,4p5z_pocket.pt,4p5z_ligand.pt
3hky,C=C(C)COC1=CC=C(C(F)=C1)C1C2=C(CC(C)(C)CS2(=O)=O)NC2C(=CC=CC=2O)N1C(=O)C1N=C(C)OC=1C,7.1,3hky_protein.pt,3hky_pocket.pt,3hky_ligand.pt
5nzn,CCC(CC)OC1C=C(CC([NH3+])C1NC(C)=O)C(=O)[O-],3.66,5nzn_protein.pt,5nzn_pocket.pt,5nzn_ligand.pt
3el1,COC(=O)NC(C(=O)NC(CC1C=CC=CC=1)C(O)C[NH+](CC1C=CC(=CC=1)C1=CC=CC=N1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C,9.64,3el1_protein.pt,3el1_pocket.pt,3el1_ligand.pt
4m8e,CC(=CC=CC(C)=CC(=O)[O-])C=C1CCC(C)C2C=CC=CC=21,7.89,4m8e_protein.pt,4m8e_pocket.pt,4m8e_ligand.pt
4hla,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,10.8,4hla_protein.pt,4hla_pocket.pt,4hla_ligand.pt
4des,O=C1C=C(OC2=CC(O)=CC(O)=C12)C1C=CC=CC=1,5.85,4des_protein.pt,4des_pocket.pt,4des_ligand.pt
3ip5,CC([NH3+])C(=O)[O-],6.22,3ip5_protein.pt,3ip5_pocket.pt,3ip5_ligand.pt
5xo7,CC1CCCC(O)CCCC=CC2C=C(O)C=C(O)C=2C(=O)O1,6.36,5xo7_protein.pt,5xo7_pocket.pt,5xo7_ligand.pt
2ptz,O=C(CP(=O)(=O)=O)NO,7.82,2ptz_protein.pt,2ptz_pocket.pt,2ptz_ligand.pt
5fh7,C[N+](C)=CC1C=CN2C3C=CC=C(Cl)C=3C(=O)NC=12,6.86,5fh7_protein.pt,5fh7_pocket.pt,5fh7_ligand.pt
3spf,C[NH+]1CC[NH+](CCCNC(=O)C2=C(C3C=CC=CC=3)C(=CN2CCC(O)CO)C2C=CC(Cl)=CC=2)CC1,3.86,3spf_protein.pt,3spf_pocket.pt,3spf_ligand.pt
2xpk,O=C(CCS)NC1C2=NC(=CN2C(CO)C(O)C1O)CCC1C=CC=CC=1,11.3,2xpk_protein.pt,2xpk_pocket.pt,2xpk_ligand.pt
5sz4,NS(=O)(=O)C1C=CC(=CC=1)C1C=CC=CC=1,9.7,5sz4_protein.pt,5sz4_pocket.pt,5sz4_ligand.pt
3s9e,[NH3+]C(CCC(=O)[O-])C(=O)[O-],5.13,3s9e_protein.pt,3s9e_pocket.pt,3s9e_ligand.pt
4ufm,OCC1[NH2+]CC(O)C(O)C1O,3.72,4ufm_protein.pt,4ufm_pocket.pt,4ufm_ligand.pt
3c52,O=C(COP(=O)(=O)=O)NO,7.3,3c52_protein.pt,3c52_pocket.pt,3c52_ligand.pt
3uew,CCCCCCCCCCCCCCCC(=O)[O-],6.31,3uew_protein.pt,3uew_pocket.pt,3uew_ligand.pt
1hpx,CSCC(NC(=O)COC1=CC=CC2=CN=CC=C21)C(=O)NC(CC1C=CC=CC=1)C(O)C(=O)N1CSCC1C(=O)NC(C)(C)C,11.26,1hpx_protein.pt,1hpx_pocket.pt,1hpx_ligand.pt
5vc3,COC1=CC(NC2C3=CC(OC)=C(C=C3N=CC=2C#N)OCCC[NH+]2CC[NH+](C)CC2)=C(Cl)C=C1Cl,7.11,5vc3_protein.pt,5vc3_pocket.pt,5vc3_ligand.pt
4d8z,CC(CC(=O)[O-])C1N=NC2N=C(N)NC(=O)C=2C=1O,6.29,4d8z_protein.pt,4d8z_pocket.pt,4d8z_ligand.pt
5kat,C1=CC=C(C=C1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,4.1,5kat_protein.pt,5kat_pocket.pt,5kat_ligand.pt
3jvr,CC(OC(=O)NC1=CC=C(Cl)C(Cl)=C1)C1=NC2C=CC=CC=2N1,5.72,3jvr_protein.pt,3jvr_pocket.pt,3jvr_ligand.pt
1ydk,CCCCCCSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-],5.89,1ydk_protein.pt,1ydk_pocket.pt,1ydk_ligand.pt
5nki,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC(=CC(=C2)N2CCOCC2)S(C)(=O)=O)S1,7.72,5nki_protein.pt,5nki_pocket.pt,5nki_ligand.pt
6gjn,CN1N=NC(CN(CC2C=CC(N)=CC=2)C(=O)NCC(=O)N2CCCC2C2C=CC=CC=2Br)=N1,6.22,6gjn_protein.pt,6gjn_pocket.pt,6gjn_ligand.pt
5sz5,CC1=CC=CC=C1C1C=CC(=CC=1)S(N)(=O)=O,7.7,5sz5_protein.pt,5sz5_pocket.pt,5sz5_ligand.pt
3q6w,O=C(CCC1C=CC2C=CC3=NC=C(C=C3C(=O)C=2C=1)C1C=NN(C=1)C1CC[NH2+]CC1)NCC1C=CC=CN=1,7.57,3q6w_protein.pt,3q6w_pocket.pt,3q6w_ligand.pt
3wha,NC(=O)CCCSC1=NC(N)=NC(=N1)C1=C(Cl)C=C2COCC3=CC=CC1=C32,9.32,3wha_protein.pt,3wha_pocket.pt,3wha_ligand.pt
5d25,CCN(CC)S(=O)(=O)C1C=C(NC(=O)C2NC(C)=C(C(C)=O)C=2C)C(O)=CC=1,6.3,5d25_protein.pt,5d25_pocket.pt,5d25_ligand.pt
3bug,CCC1=CC(=CC=C1O)CC[NH3+],3.18,3bug_protein.pt,3bug_pocket.pt,3bug_ligand.pt
5nih,CN1N=C(C(=O)[O-])C2C([NH2+]CC21)C(=O)[O-],6.87,5nih_protein.pt,5nih_pocket.pt,5nih_ligand.pt
4cmo,CNC(=O)C1C=CC(F)=CC=1C(C)OC1N=C(C=NC=1N)C1C=CC=NC=1OC,9.07,4cmo_protein.pt,4cmo_pocket.pt,4cmo_ligand.pt
2q55,CC(C)C(C(=O)NC(CC1C=CC=CC=1)CC(O)C(CC1C=CC=CC=1)NC(=O)C1CN(C(=O)O1)C1C=CC=CC=1)N1CCCNC1=O,8.69,2q55_protein.pt,2q55_pocket.pt,2q55_ligand.pt
6fa4,COC1=NC(=CC=C1NC1C=CC(=CC=1)C[NH+](C)C)C1=CC=CC2OCCOC=21,7.29,6fa4_protein.pt,6fa4_pocket.pt,6fa4_ligand.pt
3g3r,O=[P](=O)(NP(=O)(=O)=O)OP(=O)(=O)=O,6.48,3g3r_protein.pt,3g3r_pocket.pt,3g3r_ligand.pt
4da5,OC(C1=CC=C(Cl)S1)(C1=CC=C(Cl)S1)C1C[NH+]2CCC1CC2,6.44,4da5_protein.pt,4da5_pocket.pt,4da5_ligand.pt
2idw,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,8.89,2idw_protein.pt,2idw_pocket.pt,2idw_ligand.pt
3nyx,O=C(NC1=NN=C(SC2=CC=NC3=CC(Cl)=CC=C32)S1)C1=CC=CS1,7.49,3nyx_protein.pt,3nyx_pocket.pt,3nyx_ligand.pt
5ork,[NH3+]CC1=CC=C(C(Cl)=C1)C1=CC=CC=C1F,3.63,5ork_protein.pt,5ork_pocket.pt,5ork_ligand.pt
6gfs,CCCCCCCCCCCCCCC(=O)[O-],6.54,6gfs_protein.pt,6gfs_pocket.pt,6gfs_ligand.pt
3ewj,O=C([O-])C1CC12CC(NC2=O)C1C=CC(=CC=1)OCC1=CC(=NC2C=CC=CC=21)C1C=CC=CC=1,6.84,3ewj_protein.pt,3ewj_pocket.pt,3ewj_ligand.pt
4muv,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC2CO[P](=O)(=O)OC2C1O,5.76,4muv_protein.pt,4muv_pocket.pt,4muv_ligand.pt
5tuz,COC1=CC2N=C(N=C(NC3CC[NH+](C)CC3)C=2C=C1OC)N1CCOCC1,7.4,5tuz_protein.pt,5tuz_pocket.pt,5tuz_ligand.pt
3uug,O=C([O-])C1OC(O)C(O)C(O)C1O,4.51,3uug_protein.pt,3uug_pocket.pt,3uug_ligand.pt
1bn1,CC1C=CC(=CC=1)CNS(=O)(=O)C1=CC=C(S1)S(N)(=O)=O,9.34,1bn1_protein.pt,1bn1_pocket.pt,1bn1_ligand.pt
5mek,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,5.38,5mek_protein.pt,5mek_pocket.pt,5mek_ligand.pt
2xn5,NS(=O)(=O)C1C=C(C(=O)[O-])C(=CC=1Cl)NCC1=CC=CO1,6.69,2xn5_protein.pt,2xn5_pocket.pt,2xn5_ligand.pt
5nzf,CCC(CC)OC1C=C(CC([NH3+])C1NC(C)=O)C(=O)[O-],4.03,5nzf_protein.pt,5nzf_pocket.pt,5nzf_ligand.pt
5fng,ClC1C=CC(=CC=1)CC1=NN=NN1,2.96,5fng_protein.pt,5fng_pocket.pt,5fng_ligand.pt
5njz,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)NC2CC[NH2+]CC2)S1,7.8,5njz_protein.pt,5njz_pocket.pt,5njz_ligand.pt
1odi,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,4.21,1odi_protein.pt,1odi_pocket.pt,1odi_ligand.pt
3ioc,NC1N=CN=C2C=1N=CN2C1OC(CSSCC2C=CC=CC=2)C(O)C1O,3.68,3ioc_protein.pt,3ioc_pocket.pt,3ioc_ligand.pt
2pqz,O=S(=O)(C1C=CC=CC=1)N(CC1C=CC=CC=1)C1C[NH2+]CC1N(CC1C=CC=CC=1)S(=O)(=O)C1C=CC=CC=1,5.67,2pqz_protein.pt,2pqz_pocket.pt,2pqz_ligand.pt
1bhx,NC(=[NH2+])NCCCNC(=O)C1CSC2CCC(NS(=O)(=O)CC3C=CC=CC=3)C(=O)N21,6.84,1bhx_protein.pt,1bhx_pocket.pt,1bhx_ligand.pt
4fht,O=C([O-])C1C=CC(O)=C(O)C=1,6.17,4fht_protein.pt,4fht_pocket.pt,4fht_ligand.pt
1h1s,NS(=O)(=O)C1C=CC(=CC=1)NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1,8.22,1h1s_protein.pt,1h1s_pocket.pt,1h1s_ligand.pt
5upe,O=C(NCCCC1C=CC=CC=1)C1C=CC(=CC=1)NC(=O)N1C=C2C=CC=CC2=C1,8.05,5upe_protein.pt,5upe_pocket.pt,5upe_ligand.pt
3lzz,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,3.84,3lzz_protein.pt,3lzz_pocket.pt,3lzz_ligand.pt
3f80,[NH3+]C(CCCC[N+](=O)[O-])C(=O)[O-],4.22,3f80_protein.pt,3f80_pocket.pt,3f80_ligand.pt
5er2,CC(C)CN(CC(O)C(CC1CCCCC1)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC1C=CC=CC=1)NC(=O)OC(C)(C)C)C(=O)NC(CCCC[NH3+])C(=O)NC(CC1C=CC=CC=1)C(=O)[O-],6.57,5er2_protein.pt,5er2_pocket.pt,5er2_ligand.pt
4a6l,[NH3+]CC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(C#CC2=CC=CC=C2F)O1,8.0,4a6l_protein.pt,4a6l_pocket.pt,4a6l_ligand.pt
4clj,CC1OC2C=C(C=NC=2N)C2C(CN(C)C(=O)C3C=CC(F)=CC=31)=NN(C)C=2C#N,9.15,4clj_protein.pt,4clj_pocket.pt,4clj_ligand.pt
4nh7,CC1(C)CC(=O)C2C(=NN(C3C=CC(C(N)=O)=C(C=3)NC3CCC(O)CC3)C=2C1)C(F)(F)F,8.4,4nh7_protein.pt,4nh7_pocket.pt,4nh7_ligand.pt
3uil,CCCCCCCCCCCC(=O)[O-],6.0,3uil_protein.pt,3uil_pocket.pt,3uil_ligand.pt
6bm5,C[S+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,5.84,6bm5_protein.pt,6bm5_pocket.pt,6bm5_ligand.pt
3arw,COC1C=CC2C3C=CC4=CC5OCOC=5C=C4C=3N(C)CC=2C=1OC,6.15,3arw_protein.pt,3arw_pocket.pt,3arw_ligand.pt
3jya,O=C1NC=NC2=C1SC1=C(Cl)C=CC(Cl)=C21,6.89,3jya_protein.pt,3jya_pocket.pt,3jya_ligand.pt
1yp9,N=[C+](=N)C1C=CC(=CC=1)C1C2C(=O)N(CC3=CC=C4OCOC4=C3)CC2C2CCC[NH+]21,5.11,1yp9_protein.pt,1yp9_pocket.pt,1yp9_ligand.pt
5ouh,C[NH+]1C(CCCC1CC(O)C1C=CC=CC=1)CC(=O)C1C=CC=CC=1,5.67,5ouh_protein.pt,5ouh_pocket.pt,5ouh_ligand.pt
3zdh,CC(CCOC1=NC=CN1C)[NH+](C)C,7.35,3zdh_protein.pt,3zdh_pocket.pt,3zdh_ligand.pt
5ia1,O=C([O-])C1C=CC(=CC=1)NC1=NC=C2CN=C(C3C=C(Cl)C=CC=3C2=N1)C1C(F)=CC=CC=1F,6.28,5ia1_protein.pt,5ia1_pocket.pt,5ia1_ligand.pt
4b74,CCC([NH2+]C(C)CC(=O)NCC[NH3+])C1=CC=C(Cl)C(OC2C=CC=CC=2)=C1F,7.66,4b74_protein.pt,4b74_pocket.pt,4b74_ligand.pt
2epn,CC1=NC2C(OC(CO)C(O)C2O)S1,7.22,2epn_protein.pt,2epn_pocket.pt,2epn_ligand.pt
4knj,NS(=O)(=O)C1=CC=C(C=C1Cl)C(=O)CSC1N=CC=CN=1,7.95,4knj_protein.pt,4knj_pocket.pt,4knj_ligand.pt
3bgs,O=C1NC=NC2C(=CNC=21)C[NH+]1CC(O)C(CO)C1,9.42,3bgs_protein.pt,3bgs_pocket.pt,3bgs_ligand.pt
1k4g,NC1=CC(CSC2=NC=CN2)=C2N=C(N)NC(=O)C2=C1,5.85,1k4g_protein.pt,1k4g_pocket.pt,1k4g_ligand.pt
3miy,CC[NH+](CC)CCNC(=O)C1=C(C)NC(C=C2C(=O)NC3C=CC(F)=CC=32)=C1C,7.68,3miy_protein.pt,3miy_pocket.pt,3miy_ligand.pt
4agn,CC[NH+](CC)C1CC[NH+](CC1)CC1=CC(C#CCO)=CC(I)=C1O,3.97,4agn_protein.pt,4agn_pocket.pt,4agn_ligand.pt
2cle,O=C(NCCOP(=O)(=O)=O)C1C=CC(=CC=1)OC(F)(F)F,3.55,2cle_protein.pt,2cle_pocket.pt,2cle_ligand.pt
2r3t,NC(=O)C1C=CC(=CC=1)S(=O)(=O)N(CC1C=CC=CC=1)C1C[NH2+]CC1N(CC1C=CC=CC=1)S(=O)(=O)C1C=CC(=CC=1)C(N)=O,5.85,2r3t_protein.pt,2r3t_pocket.pt,2r3t_ligand.pt
5ta4,COC1CCC=CC2=CC=CC(=C2)C(C)OC(=O)C2CCCN([NH2+]2)C(=O)C(C)NC(=O)C(NC(=O)C1C)C(C)C,7.62,5ta4_protein.pt,5ta4_pocket.pt,5ta4_ligand.pt
1yet,COC1C(=O)C=C2NC(=O)C(C)=CC=CC(OC)C(OC(N)=O)C(C)=CC(C)C(O)C(CC(C)CC=1C2=O)OC,5.92,1yet_protein.pt,1yet_pocket.pt,1yet_ligand.pt
2qbu,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,6.19,2qbu_protein.pt,2qbu_pocket.pt,2qbu_ligand.pt
1o38,N=[C+](=N)C1C=C2N=C(NC2=CC=1)C1=CC(=CC(C2C=CC=CC=2)=C1O)CC[NH3+],6.82,1o38_protein.pt,1o38_pocket.pt,1o38_ligand.pt
4mme,OC1(C2C=CC(Cl)=CC=2)C2=CC=CC=C2C2NCC[N+]=21,6.5,4mme_protein.pt,4mme_pocket.pt,4mme_ligand.pt
4nh8,CC1=CN(C2C=C(F)C(C(N)=O)=C(C=2)NC2CCOC2)C2CC(C)(C)CC(=O)C=21,8.52,4nh8_protein.pt,4nh8_pocket.pt,4nh8_ligand.pt
4trc,NC1=NC=NC2N=CNC=21,4.52,4trc_protein.pt,4trc_pocket.pt,4trc_ligand.pt
1v2n,N=[C+](=N)C1C=CC(=CC=1)C=C1CCCCC(=CC2C=CC(=CC=2)[C+](=N)=N)C1=O,5.9,1v2n_protein.pt,1v2n_pocket.pt,1v2n_ligand.pt
3vdb,O=C1OC(CO)C(O)C(O)C1O,2.52,3vdb_protein.pt,3vdb_pocket.pt,3vdb_ligand.pt
2p15,CC12CCC3C4=CC=C(O)C=C4CCC3C1CCC2(O)C=CC1=CC=CC=C1C(F)(F)F,10.3,2p15_protein.pt,2p15_pocket.pt,2p15_ligand.pt
6fyz,CC1N=CC(=CN=1)C1C=CC(=CC=1)C(C(=O)NO)C1=CC=CC=C1F,7.41,6fyz_protein.pt,6fyz_pocket.pt,6fyz_ligand.pt
5o9o,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(C3O)N3C=C(COCC4=CC=C5C=CC=CC5=C4)N=N3)C2O)C(O)C(O)C1O,4.89,5o9o_protein.pt,5o9o_pocket.pt,5o9o_ligand.pt
6en5,CC([NH2+]C(C(=O)[O-])C1CCCN1C(=O)C([NH3+])CC(=O)[O-])C(=O)N1CCCC1C(=O)[O-],7.94,6en5_protein.pt,6en5_pocket.pt,6en5_ligand.pt
4f7v,CC1(C)N=C2N[C+](=N)NC(=O)C2N=C1C(=O)NCC(=O)NCCS(=O)(=O)CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,5.38,4f7v_protein.pt,4f7v_pocket.pt,4f7v_ligand.pt
1nfu,N=[C+](=N)C1C=CC=C(C=1)CN1CCN(CC1=O)S(=O)(=O)C1=CC2C=CC(Cl)=CC=2S1,7.74,1nfu_protein.pt,1nfu_pocket.pt,1nfu_ligand.pt
2bza,[NH3+]CC1C=CC=CC=1,2.8,2bza_protein.pt,2bza_pocket.pt,2bza_ligand.pt
1d4y,CCCC1(CCC2C=CC=CC=2)CC(O)=C(C(=O)O1)C(CC)C1C=C(C=CC=1)NS(=O)(=O)C1C=CC(=CN=1)C(F)(F)F,11.1,1d4y_protein.pt,1d4y_pocket.pt,1d4y_ligand.pt
3k02,CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1[NH2+]C1C=C(CO)C(O)C(O)C1O,5.0,3k02_protein.pt,3k02_pocket.pt,3k02_ligand.pt
5exn,COC(=O)NC1C=CC(=CC=1)C1C=CN=C(C=1)C(CC1C=CC=CC=1)NC(=O)C=CC1C=C(Cl)C=CC=1N1C=NN=N1,7.64,5exn_protein.pt,5exn_pocket.pt,5exn_ligand.pt
2ra0,C[NH+](C)CC1=NC=CN1C1C=CC(C2=CC=C3C(=NN(C4C=C5C(=CC=4)ON=C5N)C3=C2F)C(N)=O)=C(F)C=1,7.8,2ra0_protein.pt,2ra0_pocket.pt,2ra0_ligand.pt
3s54,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,9.64,3s54_protein.pt,3s54_pocket.pt,3s54_ligand.pt
5l3a,CS(=O)(=O)NC1=CC=CC2NN=CC=21,4.89,5l3a_protein.pt,5l3a_pocket.pt,5l3a_ligand.pt
5mgj,CCOC(=O)C1CN(C)C(=O)CC=1Cl,4.29,5mgj_protein.pt,5mgj_pocket.pt,5mgj_ligand.pt
3kku,O=C(COC1=CC=CC=C1Br)NCCC1=NC2=CC=CC=C2N1,5.7,3kku_protein.pt,3kku_pocket.pt,3kku_ligand.pt
3elc,N=C1NC(=O)N(C=C1F)C1OC(CO)C(O)C1O,2.69,3elc_protein.pt,3elc_pocket.pt,3elc_ligand.pt
4leq,CNC1=NC2=C(C=C3C(=O)N[C+](=N)NC3=C2CCC2OC(OC)C(O)C2O)N1,6.54,4leq_protein.pt,4leq_pocket.pt,4leq_ligand.pt
3ljg,NC(=O)C(CCC(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)CCC1C=CC(=CC=1)C1C=CC=CC=1,7.73,3ljg_protein.pt,3ljg_pocket.pt,3ljg_ligand.pt
2hmv,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,7.7,2hmv_protein.pt,2hmv_pocket.pt,2hmv_ligand.pt
4whs,OC1C=CC(F)=CC=1O,4.12,4whs_protein.pt,4whs_pocket.pt,4whs_ligand.pt
6ep4,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,5.35,6ep4_protein.pt,6ep4_pocket.pt,6ep4_ligand.pt
1qbv,[NH3+]C(CC1C=CC=CC=1)C(=O)N1CCCC1C(=O)NCCNC1C=CN=CC=1,5.39,1qbv_protein.pt,1qbv_pocket.pt,1qbv_ligand.pt
4xoc,CCCCCCCOC1OC(CO)C(O)C(O)C1O,8.52,4xoc_protein.pt,4xoc_pocket.pt,4xoc_ligand.pt
6hqy,COC1C=CC(=CC=1)CN1C=CC2C=CC(=CC=21)C(=O)N=O,6.44,6hqy_protein.pt,6hqy_pocket.pt,6hqy_ligand.pt
4hj2,[NH3+]C(CCC(=O)NC(CSCCN(CCCl)C1C=CC(=CC=1)CCCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-],2.53,4hj2_protein.pt,4hj2_pocket.pt,4hj2_ligand.pt
3f3e,CC(C)CC([NH3+])C(=O)[O-],7.7,3f3e_protein.pt,3f3e_pocket.pt,3f3e_ligand.pt
3mna,COC(=O)CNC1=NC(Cl)=NC(=N1)NC1C=CC(=CC=1)S(N)(=O)=O,7.39,3mna_protein.pt,3mna_pocket.pt,3mna_ligand.pt
2gz2,NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(=O)=O)C(O)C1OP(=O)(=O)=O,5.22,2gz2_protein.pt,2gz2_pocket.pt,2gz2_ligand.pt
3b24,CCSC1N=C(C)N=C(N)N=1,4.38,3b24_protein.pt,3b24_pocket.pt,3b24_ligand.pt
1ceb,[NH3+]CC1CCC(CC1)C(=O)[O-],6.0,1ceb_protein.pt,1ceb_pocket.pt,1ceb_ligand.pt
4qjx,NS(=O)(=O)C1C(F)=C(F)C(=C(NCC2C=CC=CC=2)C=1F)S(=O)(=O)CCO,7.28,4qjx_protein.pt,4qjx_pocket.pt,4qjx_ligand.pt
2w9h,COC1=CC(=CC(OC)=C1OC)CC1C=NC(N)=NC=1N,6.37,2w9h_protein.pt,2w9h_pocket.pt,2w9h_ligand.pt
3nuj,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CCOC1)S(=O)(=O)C1C=CC(N)=CC=1,9.39,3nuj_protein.pt,3nuj_pocket.pt,3nuj_ligand.pt
2bfr,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.25,2bfr_protein.pt,2bfr_pocket.pt,2bfr_ligand.pt
5oh4,O=C1CCCC(=O)N1,4.55,5oh4_protein.pt,5oh4_pocket.pt,5oh4_ligand.pt
4ddh,COC1C=CC2C(=COC=2C=1)CC(=O)[O-],3.3,4ddh_protein.pt,4ddh_pocket.pt,4ddh_ligand.pt
1bp0,O=C1C=CN(C(=O)N1)C1CC(O)C(COP(=O)(=O)=O)O1,5.4,1bp0_protein.pt,1bp0_pocket.pt,1bp0_ligand.pt
5ka7,O=C([O-])C(=O)NC1SC2C[NH2+]CCC=2C=1C(=O)[O-],4.35,5ka7_protein.pt,5ka7_pocket.pt,5ka7_ligand.pt
4wrb,COCCOC1C=CC2N=C(C=CC=2C=1)C1=CN(N=N1)C1C=CC(O)=CC=1,6.19,4wrb_protein.pt,4wrb_pocket.pt,4wrb_ligand.pt
2vwo,O=C(C[NH+]1CC(F)C(C1)NC(=O)C1=CC=C(Cl)S1)NC1C=CC(=CC=1F)N1C=CC=CC1=O,7.51,2vwo_protein.pt,2vwo_pocket.pt,2vwo_ligand.pt
5kr1,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OC=CC12)S(=O)(=O)C1C=CC(N)=CC=1,9.49,5kr1_protein.pt,5kr1_pocket.pt,5kr1_ligand.pt
2cbz,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)O[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,3.93,2cbz_protein.pt,2cbz_pocket.pt,2cbz_ligand.pt
3h1x,COC1=CC=C2C(=C1)C(CC(=O)[O-])=C(C)N2C(=O)C1C=CC(Cl)=CC=1,5.89,3h1x_protein.pt,3h1x_pocket.pt,3h1x_ligand.pt
4fk6,CS(=O)(=O)NCC1=NC2=CN=C3NC=CC3=C2N1C1CC2CCC1C2,9.7,4fk6_protein.pt,4fk6_pocket.pt,4fk6_ligand.pt
3qkd,C[NH+](C)CCC(CSC1C=CC=CC=1)NC1C=CC(=CC=1[N+](=O)[O-])S(=O)(=O)NC1N=CN=C2C=C(C=CC=12)N1CC[NH+](CC1)CC1=CC=CC=C1C1C=CC(Cl)=CC=1,8.38,3qkd_protein.pt,3qkd_pocket.pt,3qkd_ligand.pt
5kej,CCCCCCSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-],5.11,5kej_protein.pt,5kej_pocket.pt,5kej_ligand.pt
2f8g,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC(N)=CC=1,8.7,2f8g_protein.pt,2f8g_pocket.pt,2f8g_ligand.pt
4dcs,N=[C+]1NC(=O)C2N=CN(C=2N1)C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.1,4dcs_protein.pt,4dcs_pocket.pt,4dcs_ligand.pt
3u10,NC1=NC=NC2=C1N=CN2C1OC2CO[P](=O)(=O)OC2C1O,5.44,3u10_protein.pt,3u10_pocket.pt,3u10_ligand.pt
4asd,CNC(=O)C1C=C(C=CN=1)OC1C=CC(=CC=1)NC(=O)NC1C=CC(Cl)=C(C=1)C(F)(F)F,9.28,4asd_protein.pt,4asd_pocket.pt,4asd_ligand.pt
4aba,[NH3+]CC1=CSC(=N1)C1=CC=CS1,3.82,4aba_protein.pt,4aba_pocket.pt,4aba_ligand.pt
3oku,CCC1C=C2C(=CC=1OS(N)(=O)=O)CCC1C2CCC2(C)C(=O)CCC12,6.36,3oku_protein.pt,3oku_pocket.pt,3oku_ligand.pt
3bxh,O=P(=O)(=O)OCC1OC(O)(CO)C(O)C1O,4.03,3bxh_protein.pt,3bxh_pocket.pt,3bxh_ligand.pt
3rux,NC1N=CN=C2C=1N=CN2C1OC(CNS(=O)(=O)NC(=O)CCCCC2SCC3NC(=O)NC32)C(O)C1O,9.28,3rux_protein.pt,3rux_pocket.pt,3rux_ligand.pt
2aoc,CCCCC(C[NH2+]C(CCCC)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=[NH2+])C(N)=O)NC(=O)C(NC(=O)C(NC(C)=O)C(C)OC)C(C)CC,4.89,2aoc_protein.pt,2aoc_pocket.pt,2aoc_ligand.pt
5w44,O=C1NC(=NC(C(=O)NCCC2C=CC=CC=2)=C1O)C1CCCN1C(=O)C1C(Cl)=CC=CC=1Cl,6.44,5w44_protein.pt,5w44_pocket.pt,5w44_ligand.pt
3d1y,CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C(CC1C=CC=CC=1)NC(=O)C(CC(N)=O)NC(=O)C1C=CC2C=CC=CC=2N=1,8.22,3d1y_protein.pt,3d1y_pocket.pt,3d1y_ligand.pt
1drk,OC1COC(O)C(O)C1O,6.82,1drk_protein.pt,1drk_pocket.pt,1drk_ligand.pt
5oh2,O=C1CCCN1,4.24,5oh2_protein.pt,5oh2_pocket.pt,5oh2_ligand.pt
4ef6,O=C([O-])CCC1=CC=C2OCOC2=C1,2.92,4ef6_protein.pt,4ef6_pocket.pt,4ef6_ligand.pt
4r75,O=P(=O)(=O)OCC(O)C1OC(O)(CO)C(O)C1O,7.24,4r75_protein.pt,4r75_pocket.pt,4r75_ligand.pt
1bnv,C[NH2+]C1CN(C2C=CC=C(C=2)OC)S(=O)(=O)C2SC(=CC=21)S(N)(=O)=O,8.77,1bnv_protein.pt,1bnv_pocket.pt,1bnv_ligand.pt
2zz2,N#CC1CC(=O)NC(=O)N1C1OC(COP(=O)(=O)=O)C(O)C1O,4.54,2zz2_protein.pt,2zz2_pocket.pt,2zz2_ligand.pt
3tb6,OC1COC(O)C(O)C1O,5.08,3tb6_protein.pt,3tb6_pocket.pt,3tb6_ligand.pt
4ymh,NC1=NC=NC2=C1N=CN2C1OC(CSCCC([NH3+])C(=O)[O-])C(O)C1O,6.46,4ymh_protein.pt,4ymh_pocket.pt,4ymh_ligand.pt
3zln,O=C([O-])C1C=CC=C(N=1)C1=CC=C2CCCC(=NNC3=NC4=CC=CC=C4S3)C2=C1,8.47,3zln_protein.pt,3zln_pocket.pt,3zln_ligand.pt
2yaz,O=C1C=CN(C(=O)N1)C1CC(O)C(COP(=O)(=O)=O)O1,5.14,2yaz_protein.pt,2yaz_pocket.pt,2yaz_ligand.pt
3tif,NC1=NC=NC2=C1N=CN2C1OC(CO[P](=O)(=O)OP(=O)(=O)=O)C(O)C1O,5.38,3tif_protein.pt,3tif_pocket.pt,3tif_ligand.pt
5wl0,O=C([O-])C1C2CCC(CC2)C1NC1=NC(=NC=C1F)C1=CNC2=NC=C(F)C=C12,9.17,5wl0_protein.pt,5wl0_pocket.pt,5wl0_ligand.pt
5bw4,C[S+](CCC([NH3+])C(=O)[O-])CC1OC(C(O)C1O)N1C=NC2C(N)=NC=NC=21,4.17,5bw4_protein.pt,5bw4_pocket.pt,5bw4_ligand.pt
2ya7,CC(=O)NC1C(C=C(OC1C(O)C(O)CO)C(=O)[O-])NC(N)=[NH2+],3.14,2ya7_protein.pt,2ya7_pocket.pt,2ya7_ligand.pt
1epo,CCCCC(NC(=O)C(CC1C=CC=CC=1)NC(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NC,7.96,1epo_protein.pt,1epo_pocket.pt,1epo_ligand.pt
4rww,NC1=NC=NC2=C1N=CN2C1OC2CO[P](=O)(=O)OC3C(CO[P](=O)(=O)OC2C1O)OC(C3O)N1C=NC2C(N)=NC=NC=21,5.85,4rww_protein.pt,4rww_pocket.pt,4rww_ligand.pt
4j28,CC1[NH2+]C(C2=NC3=CC=CC=C3N2)C(O)C1O,5.7,4j28_protein.pt,4j28_pocket.pt,4j28_ligand.pt
3ioe,NC1N=CN=C2C=1N=CN2C1OC(CSCCC(O)CO)C(O)C1O,3.27,3ioe_protein.pt,3ioe_pocket.pt,3ioe_ligand.pt
5d3x,O=P(=O)(=O)OC1C(O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C(OP(=O)(=O)=O)C1O,6.36,5d3x_protein.pt,5d3x_pocket.pt,5d3x_ligand.pt
1k6p,CC(C)(C)NC(=O)C1C[NH+](CC[NH+]1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C2C=CC=CC=2CC1O)CC1=CC=C2OCOC2=C1,7.36,1k6p_protein.pt,1k6p_pocket.pt,1k6p_ligand.pt
4pmm,COC1C=C(C=CC=1N1C=NC(C)=C1)C1=CN(CC(=O)NC2=CC(=NN2C2C=CC=CC=2)C2C=C2)N=N1,7.57,4pmm_protein.pt,4pmm_pocket.pt,4pmm_ligand.pt
4xoe,CCCCCCCOC1OC(CO)C(O)C(O)C1O,5.0,4xoe_protein.pt,4xoe_pocket.pt,4xoe_ligand.pt
5ihh,COC1=CC2OC(=CC(=O)C=2C(O)=C1)C1C=CC(O)=C(O)C=1,6.41,5ihh_protein.pt,5ihh_pocket.pt,5ihh_ligand.pt
2z4o,CC(C)CN(CC(O)C(CC1C=CC=CC=1)NC(=O)OC1COC2OCCC12)S(=O)(=O)C1C=CC2OCOC=2C=1,9.57,2z4o_protein.pt,2z4o_pocket.pt,2z4o_ligand.pt
3ibl,NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O,7.84,3ibl_protein.pt,3ibl_pocket.pt,3ibl_ligand.pt
4ck3,CC(C)CC(CNC(=O)CCC[NH3+])CC1C=CC2OCOC=2C=1C(=O)[O-],3.57,4ck3_protein.pt,4ck3_pocket.pt,4ck3_ligand.pt
3f5j,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,4.28,3f5j_protein.pt,3f5j_pocket.pt,3f5j_ligand.pt
1lee,CC1=CC=CC(C)=C1OCC(=O)NC(CC1C=CC=CC=1)C(O)CC(CC(C)C)NC(=O)C1C=C(N)C=CC=1,7.74,1lee_protein.pt,1lee_pocket.pt,1lee_ligand.pt
2fmb,CCC(NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(CC1=CC=CC2C=CC=CC=21)NC(C)=O)C(C)C)C(=O)NC(CC1=CC=CC2C=CC=CC=21)C(N)=O,8.7,2fmb_protein.pt,2fmb_pocket.pt,2fmb_ligand.pt
5ito,CC([NH2+]C(CCCNC(N)=[NH2+])C(=O)[O-])C(=O)[O-],4.16,5ito_protein.pt,5ito_pocket.pt,5ito_ligand.pt
4kn1,NC1=NC2=NC=C(CNC3C=CC(=CC=3)C(=O)NC(CCC(=O)[O-])C(=O)[O-])N=C2C(N)=N1,6.84,4kn1_protein.pt,4kn1_pocket.pt,4kn1_ligand.pt
2ha6,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,4.32,2ha6_protein.pt,2ha6_pocket.pt,2ha6_ligand.pt
4pfu,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,6.17,4pfu_protein.pt,4pfu_pocket.pt,4pfu_ligand.pt
5igm,CCOC(=O)NC1=CC(=N[N+]2C(C)=NNC=21)C1=CC=C(C)C(=C1)NS(C)(=O)=O,7.38,5igm_protein.pt,5igm_pocket.pt,5igm_ligand.pt
5nk9,CC1=CC=CC(Cl)=C1NC(=O)C1=CN=C(NC2=CC=CC(=C2)C(=O)NC2CCC(C)(O)CC2)S1,6.14,5nk9_protein.pt,5nk9_pocket.pt,5nk9_ligand.pt
4u0w,CC(=O)NC1C(O)OC(COP(=O)(=O)=O)C(O)C1O,3.0,4u0w_protein.pt,4u0w_pocket.pt,4u0w_ligand.pt
5g46,CCC1=CC(=O)C2=CC=CC=C2N1,2.6,5g46_protein.pt,5g46_pocket.pt,5g46_ligand.pt
3uod,O=C([O-])C1C=CC(=CC=1)NC1N=CC=C(N=1)NC1=CC=CC=C1C(F)(F)F,7.31,3uod_protein.pt,3uod_pocket.pt,3uod_ligand.pt
2ygf,COC1CCCC(C)C(=O)NC2=CC(=O)C(OC)C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O,5.09,2ygf_protein.pt,2ygf_pocket.pt,2ygf_ligand.pt
3t2w,O=C([O-])CCCCC1SCC2NC(=O)NC21,7.46,3t2w_protein.pt,3t2w_pocket.pt,3t2w_ligand.pt
1ec9,O=C([O-])C(O)C(O)C(O)C(=O)NO,3.1,1ec9_protein.pt,1ec9_pocket.pt,1ec9_ligand.pt
6mj7,NC(=[NH2+])NCCCC([NH3+])C(=O)[O-],2.82,6mj7_protein.pt,6mj7_pocket.pt,6mj7_ligand.pt
1rnm,N=C1C=CN(C(=O)N1)C1OC(COP(=O)(=O)=O)C(O)C1O,3.07,1rnm_protein.pt,1rnm_pocket.pt,1rnm_ligand.pt
4gqq,CCOC(=O)C=CC1C=CC(O)=C(O)C=1,2.89,4gqq_protein.pt,4gqq_pocket.pt,4gqq_ligand.pt
1qbn,NC(=[NH2+])C1=CC=C(O)C(=C1)OC1=CC(=CC(=N1)OC1=CC=CC(=C1)C1=NC=CN1)C(=O)[O-],5.85,1qbn_protein.pt,1qbn_pocket.pt,1qbn_ligand.pt
3m36,CS(=O)(=O)C1=CC=CC=C1C1C=CC(NC(=O)C2=CC(=NN2C2C=C(C=CC=2)C[NH3+])C(F)(F)F)=C(F)C=1,9.82,3m36_protein.pt,3m36_pocket.pt,3m36_ligand.pt
5j0d,CCC(=O)N1CCOC2C(=CC(=CC=2C1)C1C=C(C=C(C=1)OC)OC)C(=O)NC1CCC[NH+](C)C1,6.87,5j0d_protein.pt,5j0d_pocket.pt,5j0d_ligand.pt
3vf7,COC1C=CC(=CC=1)S(=O)(=O)N(CC1CCC(=O)N1)CC(O)C(CC1C=CC=CC=1)NC(=O)OC1CC2CCOC2C1,9.1,3vf7_protein.pt,3vf7_pocket.pt,3vf7_ligand.pt
1qxl,NC(=O)C1=CN(C=N1)C(CO)CCN1C=CC2C=CC(=CC=21)NC(=O)CCCCC1C=CC=CC=1,7.96,1qxl_protein.pt,1qxl_pocket.pt,1qxl_ligand.pt
5drr,CC(O)(C(F)F)C(NC(=O)C1C=CC(C#CC#CC2C=CC(N)=CC=2)=CC=1)C(=O)N=O,11.46,5drr_protein.pt,5drr_pocket.pt,5drr_ligand.pt
1hwr,C=CCN1C(=O)N(CC=C)C(CC2C=CC=CC=2)C(O)C(O)C1CC1C=CC=CC=1,8.33,1hwr_protein.pt,1hwr_pocket.pt,1hwr_ligand.pt
2xeg,O=C([O-])CCC(NC(=O)NC(CCCCN1C=C(COCCOCCOCCOCCNC2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N=N1)C(=O)[O-])C(=O)[O-],10.7,2xeg_protein.pt,2xeg_pocket.pt,2xeg_ligand.pt
6evr,CC(=O)N1CCN(CC1CC1C=CC=CC=1)C(=O)C1C=CC(=CC=1)S(N)(=O)=O,8.06,6evr_protein.pt,6evr_pocket.pt,6evr_ligand.pt
5eis,CCN1C=NC2=C1C(=O)NC(=O)N2CC1C=CC(Cl)=CC=1,5.74,5eis_protein.pt,5eis_pocket.pt,5eis_ligand.pt
2ihq,N#CC1=CC=C(C2C=CC=CC=21)N1C(=O)C2C(O)CCN2C1=O,8.49,2ihq_protein.pt,2ihq_pocket.pt,2ihq_ligand.pt
4w9f,CC1N=CSC=1C1C=CC(=CC=1)CNC(=O)C1CC(O)CN1C(=O)CC(C)(C)C,5.49,4w9f_protein.pt,4w9f_pocket.pt,4w9f_ligand.pt
5jgi,CC(=O)NC(CCCNC(N)=[NH2+])C(=O)[O-],4.3,5jgi_protein.pt,5jgi_pocket.pt,5jgi_ligand.pt
4ibi,O=C([O-])C1=CC=CC(=C1)N1C(=O)C(O)=C(C(=O)C2=CC=CC(=C2)C(F)(F)F)C1C1C=C(Cl)C2OCOC=2C=1,4.14,4ibi_protein.pt,4ibi_pocket.pt,4ibi_ligand.pt
5hvt,COC1C=CC(=CC=1)N1CC2C=CC(O)=CC=2OC1=O,7.26,5hvt_protein.pt,5hvt_pocket.pt,5hvt_ligand.pt
5ldm,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1OP(=O)(=O)=O,3.86,5ldm_protein.pt,5ldm_pocket.pt,5ldm_ligand.pt
1fq5,CC(C)CC1NC(=O)CC(O)C(CC(C)C)NC(=O)C(CCC(=O)NCC2C=CC=C(C=2)CNC1=O)NC(=O)C(CC1=CC=CC2C=CC=CC=21)CC1C=CC=C2C=CC=CC=12,8.4,1fq5_protein.pt,1fq5_pocket.pt,1fq5_ligand.pt
3rz8,CCCCCCNC(=O)C1C=CC(=CC=1)S(N)(=O)=O,8.17,3rz8_protein.pt,3rz8_pocket.pt,3rz8_ligand.pt
5ufp,N#CC1C=C(F)C=C(C=1)OC1C=CC(=C2C=1CC(F)(F)C2O)S(=O)(=O)C(F)F,7.37,5ufp_protein.pt,5ufp_pocket.pt,5ufp_ligand.pt