smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000013741350 562987034 /nfs/dbraw/zinc/98/70/34/562987034.db2.gz IKFWAILKZKPOLW-OTWHNJEPSA-N 1 1 499.576 -1.792 1 30 JAEFMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000026266921 563024900 /nfs/dbraw/zinc/02/49/00/563024900.db2.gz IKFWAILKZKPOLW-FHWLQOOXSA-N 1 1 499.576 -1.792 1 30 JAEFMO