smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H]([NH2+]Cc2ccccc2O)[C@H]1O ZINC000514288850 560033802 /nfs/dbraw/zinc/03/38/02/560033802.db2.gz GRRQZDPHIDPMSC-SESVDKBCSA-N 2 0 356.466 1.785 40 10 biogenic,in-vitro FDCBRP