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(N2CCNCC2)c(F)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000361735343 237292433 /nfs/dbraw/zinc/29/24/33/237292433.db2.gz VLVGQNXIWOSHQW-GXTWGEPZSA-N 1 3 322.384 -0.426 10 10 DBCEHO