smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(OCCCC(C)(C)C(=O)[O-])cc(C)c1C ZINC000044125115 175143982 /nfs/dbraw/zinc/14/39/82/175143982.db2.gz RBOZZGDSQWEMKP-UHFFFAOYSA-N -1 2 264.365 3.882 50 0 CHAALM CC(C)(C)c1ccc(O[P@@](=O)([O-])O)c(C(C)(C)C)c1 ZINC000113627748 1120344869 /nfs/dbraw/zinc/34/48/69/1120344869.db2.gz KZGROEDUAFPSGN-UHFFFAOYSA-N -1 2 286.308 3.753 50 0 CHAALM CC(C)(C)c1ccc(O[P@](=O)([O-])O)c(C(C)(C)C)c1 ZINC000113627748 1120344873 /nfs/dbraw/zinc/34/48/73/1120344873.db2.gz KZGROEDUAFPSGN-UHFFFAOYSA-N -1 2 286.308 3.753 50 0 CHAALM