smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](CCC(=O)[O-])C(=O)C(=O)NO 90741695 573578666 /nfs/dbraw/zinc/57/86/66/573578666.db2.gz BMFPRXSXMVLCGO-VKHMYHEASA-N -2 2 190.155 -1.747 10 30 AAEELL