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)Cc1cc(O)c(C[N+](C)(C)C)cc1O ZINC000040556577 174330985 /nfs/dbraw/zinc/33/09/85/174330985.db2.gz YDPOMAVLJIQLQF-UHFFFAOYSA-P 2 0 254.374 1.510 1 10 CDCFRP