smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)[O-])[nH+]1 ZINC000096168627 222068380 /nfs/dbraw/zinc/06/83/80/222068380.db2.gz MZUXZKDOYICLDH-SFYZADRCSA-N 0 2 357.348 -0.395 1 30 FBEFLN