smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(NC(=O)C(NNC(N)=S)=C2C(=O)[N-]C(=O)NC2=O)c1 ZINC000108923505 570318659 /nfs/dbraw/zinc/31/86/59/570318659.db2.gz YPPULBFDUIJPFI-OCKHKDLRSA-N -1 0 378.370 -1.195 10 30 GAEERM