smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2[nH]c3ccc(OCC[NH+](C)C)cc3c2c(C)c2c[nH+]ccc12 ZINC000001578025 564118944 /nfs/dbraw/zinc/11/89/44/564118944.db2.gz FGFDMBHOYCMKEJ-UHFFFAOYSA-N 2 2 333.435 4.427 40 5 EIBBLP COc1ccc2c(c1)c1c(c(C)c3cc[nH+]cc3c1C)n2CCC[NH3+] ZINC000001720645 563406941 /nfs/dbraw/zinc/40/69/41/563406941.db2.gz FFGIBLYMAQEJFJ-UHFFFAOYSA-N 2 2 333.435 4.317 40 5 in-vitro EIBBLP