smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NC(=O)c1nc(Cl)c(NCC[n+]2ccccc2)nc1N ZINC000073140662 216354444 /nfs/dbraw/zinc/35/44/44/216354444.db2.gz ACNQZSAKEDNWER-UHFFFAOYSA-O 2 2 335.779 -0.475 1 30 EBEFLP