smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+][C@@H]1C=CCOc2cc3c(c(O)c21)C(=O)c1c(cc(OC)c(O)c1C(O)O)C3=O ZINC000085486894 291194501 /nfs/dbraw/zinc/19/45/01/291194501.db2.gz JLKNLYPQNJHUTR-SNVBAGLBSA-N 1 2 413.382 1.074 1 10 biogenic,in-vitro HDCFLO