smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CON=[N+](O)C(CN(C)C)N([O-])N=[O+]C ZINC000020215501 384599002 /nfs/dbraw/zinc/59/90/02/384599002.db2.gz TXHJTKZLUXEGLW-BDLVGCLISA-N 1 3 221.217 -0.078 10 10 BBCEHO