smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2cc3c(=O)[nH]c(=O)nc-3[nH]c12 ZINC000103201612 179227892 /nfs/dbraw/zinc/22/78/92/179227892.db2.gz RUUIYZGSCPLPSQ-UHFFFAOYSA-N 0 2 227.223 1.073 1 5 BDBFLN