smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1c2ccccc2[nH+]c2ccccc21 ZINC000003908458 342739622 /nfs/dbraw/zinc/73/96/22/342739622.db2.gz IETBVHNTSXTIDT-UHFFFAOYSA-N 1 1 223.275 3.787 50 5 BHBAMO