smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NN=C(CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1 ZINC000254568448 717170588 /nfs/dbraw/zinc/17/05/88/717170588.db2.gz FKEOXAFKLVUESU-UHFFFAOYSA-O 1 0 437.564 2.577 10 50 IFGERO