smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCC[NH2+]Cc1c(O)ccc2ccc(=O)oc21 ZINC000013674222 181384149 /nfs/dbraw/zinc/38/41/49/181384149.db2.gz ZFSGKZKORXNTTL-UHFFFAOYSA-N 2 2 248.282 0.937 1 10 BCCFLP