smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(N)ccc(O)c2[nH+]1 39626100 571935465 /nfs/dbraw/zinc/93/54/65/571935465.db2.gz IFOFWZGKLRGLPS-UHFFFAOYSA-N 1 2 174.203 1.831 30 0 ADACLO