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=C\C=C\C(=O)N[C@H](C)[C@H](O)C[C@@H](N)CC(=O)NCCC(N)=[NH2+] ZINC000004789733 210278399 /nfs/dbraw/zinc/27/83/99/210278399.db2.gz HGBIYXQMCATWPJ-HPLJFFTKSA-N 1 3 339.440 -0.466 1 0 EBAFHO C/C=C\C=C\C(=O)NC[C@H](O)C[C@@H](N)CC(=O)NCCC(N)=[NH2+] ZINC000004789732 210279321 /nfs/dbraw/zinc/27/93/21/210279321.db2.gz OAXPQNCOMDEHMJ-FHNIRRRCSA-N 1 3 325.413 -0.854 1 0 EBAFHO