smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000095869673 569729325 /nfs/dbraw/zinc/72/93/25/569729325.db2.gz VEDBEYLQKXTZOG-QCQGSNGOSA-N 0 3 450.496 0.031 40 5 JCBBHN