smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CP(C)CCC[PH+](C)C 2560608 168289904 /nfs/dbraw/zinc/28/99/04/168289904.db2.gz GZDVNUHKYJNVNT-UHFFFAOYSA-N 1 3 164.169 2.860 40 0 AFABHO