smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2ccc3c(=O)c(C)c(C)oc3c2c[nH+]1 ZINC000013373566 178297242 /nfs/dbraw/zinc/29/72/42/178297242.db2.gz UCURHOJUSAYQKR-UHFFFAOYSA-N 1 2 239.274 3.266 1 5 BGBFLO