smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(CC)CCOC(=O)Cn1c(=O)c2ccccc2c(Cc2ccccc2)[n+]1C ZINC000005469307 557655632 /nfs/dbraw/zinc/65/56/32/557655632.db2.gz KMGYMJQGJSFQIG-UHFFFAOYSA-N 2 0 423.557 2.446 40 5 HEBBRP