smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)c1ccc(OC)cc1N 57367211 167177018 /nfs/dbraw/zinc/17/70/18/167177018.db2.gz OQVTYTPRPQPLML-UHFFFAOYSA-N 1 2 194.278 2.124 40 10 AECBLO