smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(C)=C/CC(C/C=C(\C)CCC=C(C)C)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000029123084 563073929 /nfs/dbraw/zinc/07/39/29/563073929.db2.gz SQERRIVHBWCION-IWGRKNQJSA-N -2 2 448.477 6.204 20 0 in-vitro IKADLL CC(C)=CCC/C(C)=C/CC(C/C=C(\C)CCC=C(C)C)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000029123084 563073930 /nfs/dbraw/zinc/07/39/30/563073930.db2.gz SQERRIVHBWCION-IWGRKNQJSA-N -2 2 448.477 6.204 20 0 in-vitro IKADLL