smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCNC1=NC(C)(C)[NH+]=C(NCc2ccccc2)N1 ZINC000044431201 202522216 /nfs/dbraw/zinc/52/22/16/202522216.db2.gz PPWRGRSKKNAWNK-UHFFFAOYSA-N 1 3 343.519 3.778 1 30 EHEFHO CCCCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)CCCC[NH3+] ZINC000103256905 219276111 /nfs/dbraw/zinc/27/61/11/219276111.db2.gz CDJSLPGFVFOYPW-FQEVSTJZSA-N 1 3 347.547 3.832 1 30 EHEFHO CCCCCCCNC1=NC(C)(C)[NH+]=C(NCc2ccc(C)cc2)N1 ZINC000049867570 214033853 /nfs/dbraw/zinc/03/38/53/214033853.db2.gz CCYOCCMLTUKKPI-UHFFFAOYSA-N 1 3 343.519 3.696 1 30 EHEFHO