smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(/N=C\N(C)/C=[NH+]\c2ccc(C)cc2C)c(C)c1 ZINC000100258592 567912757 /nfs/dbraw/zinc/91/27/57/567912757.db2.gz QXAITBQSYVNQDR-FDYZEBBJSA-N 1 3 293.414 4.872 10 30 CJEEHO