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)N 1665818 168693128 /nfs/dbraw/zinc/69/31/28/168693128.db2.gz ZSXLAJUILPSSLE-UHFFFAOYSA-N 1 3 75.135 -0.434 50 5 in-vitro ABBAHO