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 ZINC000245284461 382680002 /nfs/dbraw/zinc/68/00/02/382680002.db2.gz RXULXQPSMKQUQZ-UHFFFAOYSA-N -2 2 319.233 -0.338 50 0 DBAALL