smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=[NH2+])Nc1cccc2cc[nH+]cc12 87521349 572547776 /nfs/dbraw/zinc/54/77/76/572547776.db2.gz PMIGBEMLQZATOO-UHFFFAOYSA-N 2 2 199.257 3.034 10 0 AGAELP