smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C#N)c(=O)n(CCO)c([O-])c1Cc1c(C)c(C#N)c(=O)n(CCO)c1O ZINC000003174174 568859756 /nfs/dbraw/zinc/85/97/56/568859756.db2.gz NYWXVKARNNFLTM-UHFFFAOYSA-N -1 2 400.391 -0.643 40 30 HBEBLM