smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCCC[NH+]1CCC(F)(F)CC1 85652804 371651735 /nfs/dbraw/zinc/65/17/35/371651735.db2.gz YMJXHDWSXSKPQX-UHFFFAOYSA-N 1 0 188.221 2.021 30 30 AEECRO