smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCn1c(=O)c2ccc(NC(=O)C[NH+](C)C)cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000042922545 563163753 /nfs/dbraw/zinc/16/37/53/563163753.db2.gz KPZLOZDSPNZXBS-UHFFFAOYSA-N 2 1 461.522 2.493 1 5 JEBFMP C[NH+](C)CCn1c(=O)c2cc(NC(=O)C[NH+](C)C)ccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000045496316 563195716 /nfs/dbraw/zinc/19/57/16/563195716.db2.gz DMPJPYCQXBLMOE-UHFFFAOYSA-N 2 1 461.522 2.493 1 5 JEBFMP