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)NC(=O)NC2=O)c1 ZINC000108923505 570318666 /nfs/dbraw/zinc/31/86/66/570318666.db2.gz YPPULBFDUIJPFI-OCKHKDLRSA-N 0 2 378.370 -1.195 10 30 GAEELN