smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C=CC(=NNc2nncs2)C([O-])=C1 ZINC000584609686 358271230 /nfs/dbraw/zinc/27/12/30/358271230.db2.gz OJLGJWLOAZPPQV-ZRDIBKRKSA-N -1 2 222.229 2.365 10 10 BECELM O=C1C=CC(=[NH+][N-]c2nncs2)C([O-])=C1 ZINC000584609686 358271232 /nfs/dbraw/zinc/27/12/32/358271232.db2.gz OJLGJWLOAZPPQV-ZRDIBKRKSA-N -1 2 222.229 2.365 10 10 BECELM