smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCCc1ccc(N)cc1 ZINC000045230948 175334891 /nfs/dbraw/zinc/33/48/91/175334891.db2.gz JODWBXJNPGFXRH-UHFFFAOYSA-N 2 1 276.344 0.843 1 10 CCCFMP