smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2cc(CN3CC[NH2+]CC3)c([N+](=O)[O-])cc2[nH]c1=O ZINC000027752292 182489917 /nfs/dbraw/zinc/48/99/17/182489917.db2.gz QZRUGEDNWOZBHA-UHFFFAOYSA-N 1 0 305.294 -0.470 1 5 DBBFRO