smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NOCCCO[P@](=O)([O-])O 218559519 344413646 /nfs/dbraw/zinc/41/36/46/344413646.db2.gz VETZYYCNJQLPPD-UHFFFAOYSA-N -1 2 171.089 -0.624 10 70 ABIELM NOCCCO[P@@](=O)([O-])O 218559519 344413645 /nfs/dbraw/zinc/41/36/45/344413645.db2.gz VETZYYCNJQLPPD-UHFFFAOYSA-N -1 2 171.089 -0.624 10 70 ABIELM