smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\O)c3cnc(N)s3)[C@H]2SC1 ZINC000027742556 563051062 /nfs/dbraw/zinc/05/10/62/563051062.db2.gz CSZWPKKCIAHVRH-ZSDSSEDPSA-N -1 2 467.485 -0.239 1 30 JBEFLM