smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccccc1C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000040915046 183147985 /nfs/dbraw/zinc/14/79/85/183147985.db2.gz ZMXFPFXKJCTLTM-UHFFFAOYSA-N 0 3 317.432 4.704 1 10 DJCFHN