SMILES,title,i_i_glide_lignum,docking_status,r_glide_cpu_time,r_i_docking_score,s_i_glide_gridfile,r_i_glide_gscore,r_i_glide_lipo,r_i_glide_hbond,r_i_glide_metal,r_i_glide_rewards,r_i_glide_evdw,r_i_glide_ecoul,r_i_glide_erotb,r_i_glide_esite,r_i_glide_emodel,r_i_glide_energy,r_i_glide_einternal
COc1ccc(C[C@H]2COc3c(OC)c(O)cc(O)c3C2=O)cc1,"SANC00268_minRM1.pdb",5,"GRID-ENERGY MIN FAILED",0.203,,,,,,,,,,,,,,
Cc1cc(C(=O)O)c2c(c1)C(=O)[C@H](C)C2,"SANC00332_minRM1.pdb",7,"GRID-ENERGY MIN FAILED",0.079,,,,,,,,,,,,,,
CC(C)=CCc1c(O)cc2occ(-c3cc4c(cc3O)OC(C)(C)C=C4)c(=O)c2c1O,"SANC00344_minRM1.pdb",8,"GRID-ENERGY MIN FAILED",0.14,,,,,,,,,,,,,,
C=C(C)[C@@H](O)Cc1c(O)cc2occ(-c3cc4c(cc3O)OC(C)(C)C=C4)c(=O)c2c1O,"SANC00355_minRM1.pdb",9,"GRID-ENERGY MIN FAILED",0.375,,,,,,,,,,,,,,
CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O,"SANC00932_minRM1.pdb",16,"GRID-ENERGY MIN FAILED",0.156,,,,,,,,,,,,,,
CC(C)=CCC1=CC(=O)C=C(C)C1=O,"SANC01026_minRM1.pdb",18,"GRID-ENERGY MIN FAILED",0.062,,,,,,,,,,,,,,
