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@H](O)C(=O)C([O-])=C(CNNC(N)=[NH2+])NNC(N)=[NH2+] ZINC000008627981 299542106 /nfs/dbraw/zinc/54/21/06/299542106.db2.gz UVCXFVHDGWJDBC-UKXGNFLQSA-N 1 3 274.285 -3.603 40 30 CAEBHO C[C@H](O)C(=O)C([O-])=C(CNNC(N)=[NH2+])NNC(N)=[NH2+] ZINC000104116167 278300305 /nfs/dbraw/zinc/30/03/05/278300305.db2.gz UVCXFVHDGWJDBC-HLHUHNFGSA-N 1 3 274.285 -3.603 40 30 CAEBHO