smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC12CC[NH+](C)CC2 ZINC000067654100 570784865 /nfs/dbraw/zinc/78/48/65/570784865.db2.gz WZVXDVGIHPEGSC-UHFFFAOYSA-N 2 1 395.547 3.183 50 10 GGCAMP