smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H](N)CCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)NCC[NH2+]CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c21)C(N)=O ZINC000195504986 562872035 /nfs/dbraw/zinc/87/20/35/562872035.db2.gz PQCGHLAOFYFGTG-ZNNUDVHBSA-N 1 3 710.793 -0.333 1 10 KBCFHO