smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCCCN1CCC(F)(F)CC1 85652804 371651754 /nfs/dbraw/zinc/65/17/54/371651754.db2.gz YMJXHDWSXSKPQX-UHFFFAOYSA-N 0 1 188.221 2.021 30 30 AEECMN