smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C=C2NC(=S)[N-]C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000033304431 208083371 /nfs/dbraw/zinc/08/33/71/208083371.db2.gz MQRYXVZCPQJUAQ-MOSHPQCFSA-N -1 1 373.481 4.518 10 10 FJCEMM