smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C[C@@H](O)CO[P@@](=O)([O-])O 100028460 169399126 /nfs/dbraw/zinc/39/91/26/169399126.db2.gz LXJXRIRHZLFYRP-GSVOUGTGSA-N -1 2 170.057 -1.345 50 30 endogenous,in-man AAEALM O=C[C@@H](O)CO[P@](=O)([O-])O 100028460 169399127 /nfs/dbraw/zinc/39/91/27/169399127.db2.gz LXJXRIRHZLFYRP-GSVOUGTGSA-N -1 2 170.057 -1.345 50 30 endogenous,in-man AAEALM O=C[C@H](O)CO[P@@](=O)([O-])O 3869936 351321629 /nfs/dbraw/zinc/32/16/29/351321629.db2.gz LXJXRIRHZLFYRP-VKHMYHEASA-N -1 2 170.057 -1.345 50 30 endogenous,in-man AAEALM O=C[C@H](O)CO[P@](=O)([O-])O 3869936 351321634 /nfs/dbraw/zinc/32/16/34/351321634.db2.gz LXJXRIRHZLFYRP-VKHMYHEASA-N -1 2 170.057 -1.345 50 30 endogenous,in-man AAEALM N/C(=N\O)c1nonc1-c1nn[n-]n1 4344201 1426538108 /nfs/dbraw/zinc/53/81/08/1426538108.db2.gz HHWJFGNGOPKPMI-UHFFFAOYSA-N -1 2 196.130 -1.656 50 30 AAEALM N/C(=N\O)c1nonc1-c1nnn[n-]1 4344201 1426538114 /nfs/dbraw/zinc/53/81/14/1426538114.db2.gz HHWJFGNGOPKPMI-UHFFFAOYSA-N -1 2 196.130 -1.656 50 30 AAEALM