smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCNc1ccc(NCC[NH3+])c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000005117117 210599776 /nfs/dbraw/zinc/59/97/76/210599776.db2.gz CLVFWRBVFBUDQU-UHFFFAOYSA-N 2 0 356.382 0.614 40 10 in-vitro FCCBRP