smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CC[N+](C)(CP(=O)(c2ccccc2)c2ccccc2)CC1 ZINC001088727143 717196694 /nfs/dbraw/zinc/19/66/94/717196694.db2.gz OHWQZNNUNIIXPC-UHFFFAOYSA-N 1 0 328.416 3.835 10 50 EHGERO