smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCO[P@](=O)([O-])O ZINC000036178978 541109222 /nfs/dbraw/zinc/10/92/22/541109222.db2.gz KRIXEEBVZRZHOS-UHFFFAOYSA-N -1 2 294.372 4.797 10 30 in-vivo CJEELM CCCCCCCCCCCCCCO[P@@](=O)([O-])O ZINC000036178978 541109218 /nfs/dbraw/zinc/10/92/18/541109218.db2.gz KRIXEEBVZRZHOS-UHFFFAOYSA-N -1 2 294.372 4.797 10 30 in-vivo CJEELM