smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC1=NC(=O)NC(=O)C1=NNc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000015979242 303360216 /nfs/dbraw/zinc/36/02/16/303360216.db2.gz RXULXQPSMKQUQZ-IDUWFGFVSA-N -2 2 319.233 -0.542 40 30 DBEBLL