smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H](N)CCCC[NH3+])[C@H]1O ZINC000004824650 204079811 /nfs/dbraw/zinc/07/98/11/204079811.db2.gz GDNSTKKYGPZUAC-RLHKTWEUSA-N 1 3 394.436 -2.400 40 0 GAABHO Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H](N)CCCC[NH3+])[C@H]1O ZINC000004824652 570409116 /nfs/dbraw/zinc/40/91/16/570409116.db2.gz GDNSTKKYGPZUAC-GQNZOVQCSA-N 1 3 394.436 -2.400 40 0 GAABHO Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H](N)CCCC[NH3+])[C@@H]1O ZINC000004824654 204079377 /nfs/dbraw/zinc/07/93/77/204079377.db2.gz GDNSTKKYGPZUAC-QDFKUBBDSA-N 1 3 394.436 -2.400 40 0 GAABHO Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H](N)CCCC[NH3+])[C@@H]1O ZINC000004824655 570409125 /nfs/dbraw/zinc/40/91/25/570409125.db2.gz GDNSTKKYGPZUAC-LVVRZYSXSA-N 1 3 394.436 -2.400 40 0 GAABHO