smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CC[PH+](C1CCCCC1)C1CCCCC1 ZINC000214085341 349600620 /nfs/dbraw/zinc/60/06/20/349600620.db2.gz MBJWFXNTNNVPIO-UHFFFAOYSA-N 2 0 241.359 4.092 10 0 BIAERP