smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCO[P@](=O)([O-])O 13491811 166196054 /nfs/dbraw/zinc/19/60/54/166196054.db2.gz DZMOLBFHXFZZBF-UHFFFAOYSA-N -1 2 138.059 0.282 1 30 ACEFLM C=CCO[P@@](=O)([O-])O 13491811 166196055 /nfs/dbraw/zinc/19/60/55/166196055.db2.gz DZMOLBFHXFZZBF-UHFFFAOYSA-N -1 2 138.059 0.282 1 30 ACEFLM