smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCCNC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(=[NH2+])NCCC[NH+](C)C)cc3)o2)cc1 ZINC000029571646 563107820 /nfs/dbraw/zinc/10/78/20/563107820.db2.gz GQQNWGFLHBBIRH-UHFFFAOYSA-N 3 3 474.653 3.928 1 30 JHEFHP