smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000361735343 237292422 /nfs/dbraw/zinc/29/24/22/237292422.db2.gz VLVGQNXIWOSHQW-GXTWGEPZSA-N 2 0 322.384 -0.426 10 10 DBCERP