smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@H](N)C(=O)NCC[NH2+]CCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O ZINC000026733395 561816922 /nfs/dbraw/zinc/81/69/22/561816922.db2.gz OZZFGLBTVSDDKF-KRWDZBQOSA-N 2 3 511.631 -0.618 1 30 KBEFHP NC(=[NH2+])NCCC[C@@H](N)C(=O)NCC[NH2+]CCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O ZINC000026733399 561816981 /nfs/dbraw/zinc/81/69/81/561816981.db2.gz OZZFGLBTVSDDKF-QGZVFWFLSA-N 2 3 511.631 -0.618 1 30 KBEFHP